smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000416299812 239165730 /nfs/dbraw/zinc/16/57/30/239165730.db2.gz GUVQEVZGWYIPGF-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422016489 240101533 /nfs/dbraw/zinc/10/15/33/240101533.db2.gz GTJMGOJMYFMFAE-INIZCTEOSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488952 243131281 /nfs/dbraw/zinc/13/12/81/243131281.db2.gz JLIRWSGFVMAELA-UAGQMJEPSA-N 0 3 345.399 2.105 20 5 EEBDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451740047 243237766 /nfs/dbraw/zinc/23/77/66/243237766.db2.gz KXGXJRHJDLTCFE-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000127511629 205104392 /nfs/dbraw/zinc/10/43/92/205104392.db2.gz AMCWDLUEFUJOEW-CQSZACIVSA-N 0 3 330.388 2.171 20 5 EEBDHN COCC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128625983 205155527 /nfs/dbraw/zinc/15/55/27/205155527.db2.gz ARMTYMKQDNYXJX-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN COCCN(CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264352975 246391907 /nfs/dbraw/zinc/39/19/07/246391907.db2.gz ZTBRNYQPDSYGKR-UHFFFAOYSA-N 0 3 349.387 2.387 20 5 EEBDHN CCN(Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266480918 248323163 /nfs/dbraw/zinc/32/31/63/248323163.db2.gz TUIIDWHVZWHONG-OAHLLOKOSA-N 0 3 338.795 2.328 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)cc1OC(F)F ZINC000174685822 207045224 /nfs/dbraw/zinc/04/52/24/207045224.db2.gz UFHKUCJEKPZMLZ-GFCCVEGCSA-N 0 3 345.346 2.455 20 5 EEBDHN Nc1c(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177060181 207290261 /nfs/dbraw/zinc/29/02/61/207290261.db2.gz AXLQTMQNXUKASU-ZENOOKHLSA-N 0 3 344.415 2.123 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000267988851 256102545 /nfs/dbraw/zinc/10/25/45/256102545.db2.gz PRJVPOXGPUWMIL-OCCSQVGLSA-N 0 3 342.399 2.291 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137632 256211711 /nfs/dbraw/zinc/21/17/11/256211711.db2.gz NPWMZRNVXUKWDU-DZGCQCFKSA-N 0 3 337.420 2.365 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000273499911 256302016 /nfs/dbraw/zinc/30/20/16/256302016.db2.gz LYTUUOFZFYJWOW-HUUCEWRRSA-N 0 3 335.429 2.247 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273557964 256306640 /nfs/dbraw/zinc/30/66/40/256306640.db2.gz WQESHYPMZJAMSK-HOTGVXAUSA-N 0 3 349.456 2.176 20 5 EEBDHN CN(C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000276053349 256398888 /nfs/dbraw/zinc/39/88/88/256398888.db2.gz UNWWIYLPOBZPJF-UHFFFAOYSA-N 0 3 330.388 2.150 20 5 EEBDHN Cc1nccn1CCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130588857 292375985 /nfs/dbraw/zinc/37/59/85/292375985.db2.gz BBHZCFRADDLCBV-UHFFFAOYSA-N 0 3 345.403 2.085 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000068132026 159016183 /nfs/dbraw/zinc/01/61/83/159016183.db2.gz YOOOJLQQXTWTEA-HNNXBMFYSA-N 0 3 346.431 2.484 20 5 EEBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000193794232 160186754 /nfs/dbraw/zinc/18/67/54/160186754.db2.gz WDIJYQMIAGJOHG-AWEZNQCLSA-N 0 3 329.356 2.440 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237455228 160222359 /nfs/dbraw/zinc/22/23/59/160222359.db2.gz ZCJFNCYEZLOBJU-VWYCJHECSA-N 0 3 341.795 2.224 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000342771196 161089397 /nfs/dbraw/zinc/08/93/97/161089397.db2.gz YOZVQSGCBSKXJJ-HNNXBMFYSA-N 0 3 346.362 2.349 20 5 EEBDHN Cc1cc(C(=O)Nc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000343057185 161098805 /nfs/dbraw/zinc/09/88/05/161098805.db2.gz RLSHSKNBCBOOJF-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN COc1c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981478 163040645 /nfs/dbraw/zinc/04/06/45/163040645.db2.gz OHXVIBUUCPFECT-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000356305879 163399945 /nfs/dbraw/zinc/39/99/45/163399945.db2.gz WEFYMEQWVKLKHP-QGZVFWFLSA-N 0 3 335.379 2.221 20 5 EEBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898001 166148452 /nfs/dbraw/zinc/14/84/52/166148452.db2.gz VSNWCUNFUDWKDI-DZGCQCFKSA-N 0 3 339.779 2.344 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272459752 268978307 /nfs/dbraw/zinc/97/83/07/268978307.db2.gz DGHOARCSRGUNFZ-CYBMUJFWSA-N 0 3 327.331 2.239 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000274835033 269060635 /nfs/dbraw/zinc/06/06/35/269060635.db2.gz SDDZTXBMSZAVND-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000284447980 269596303 /nfs/dbraw/zinc/59/63/03/269596303.db2.gz CJJDYZBAPFFZPV-QWHCGFSZSA-N 0 3 343.330 2.106 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191680552 274049853 /nfs/dbraw/zinc/04/98/53/274049853.db2.gz QCMCBAZMXKGUPD-UHFFFAOYSA-N 0 3 348.363 2.006 20 5 EEBDHN COc1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608190 274144923 /nfs/dbraw/zinc/14/49/23/274144923.db2.gz JOKYADRICMCGNK-GXTWGEPZSA-N 0 3 329.397 2.224 20 5 EEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000274444556 274196447 /nfs/dbraw/zinc/19/64/47/274196447.db2.gz IAMCTULGQRJONE-CYBMUJFWSA-N 0 3 334.420 2.263 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453637 275060084 /nfs/dbraw/zinc/06/00/84/275060084.db2.gz PPDWDDZZDZBRAC-ZYHUDNBSSA-N 0 3 336.367 2.015 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000288527084 275067053 /nfs/dbraw/zinc/06/70/53/275067053.db2.gz UIRHESCOUUSXHP-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289591220 275130507 /nfs/dbraw/zinc/13/05/07/275130507.db2.gz QWBUJPGWMPJVCC-ZDUSSCGKSA-N 0 3 341.795 2.327 20 5 EEBDHN CCN(CCO)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801643 275241322 /nfs/dbraw/zinc/24/13/22/275241322.db2.gz FGNVWEAZGVHRRL-UHFFFAOYSA-N 0 3 336.219 2.305 20 5 EEBDHN C[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673781 275328757 /nfs/dbraw/zinc/32/87/57/275328757.db2.gz QIIWXFUTIBHFLS-DYVFJYSZSA-N 0 3 332.404 2.393 20 5 EEBDHN CC(C)(NC[C@@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293151720 293138389 /nfs/dbraw/zinc/13/83/89/293138389.db2.gz BRTTXNYALYSVPK-SNVBAGLBSA-N 0 3 336.310 2.359 20 5 EEBDHN CCOC1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000298383710 294486164 /nfs/dbraw/zinc/48/61/64/294486164.db2.gz VSOKIDIAUPKTJY-AWEZNQCLSA-N 0 3 338.404 2.226 20 5 EEBDHN Cc1cc(N2CCC(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301063988 294818227 /nfs/dbraw/zinc/81/82/27/294818227.db2.gz CMPKKMXPSMHUEH-UHFFFAOYSA-N 0 3 332.448 2.367 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C[NH3+])CCCC[C@H]1C ZINC000178979948 302050781 /nfs/dbraw/zinc/05/07/81/302050781.db2.gz YBBHVCVKIZCWPK-DOMZBBRYSA-N 0 3 341.433 2.089 20 5 EEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107977 311950948 /nfs/dbraw/zinc/95/09/48/311950948.db2.gz FIOADDGUEPOQMB-GJZGRUSLSA-N 0 3 346.431 2.116 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448881521 315396788 /nfs/dbraw/zinc/39/67/88/315396788.db2.gz MBSXQPCLOZQQRO-AWEZNQCLSA-N 0 3 343.387 2.151 20 5 EEBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408266 315960629 /nfs/dbraw/zinc/96/06/29/315960629.db2.gz AZVQLZJUVTUAMU-DZGCQCFKSA-N 0 3 341.795 2.327 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(c2cnccn2)CC1 ZINC000541570955 318103218 /nfs/dbraw/zinc/10/32/18/318103218.db2.gz KXFJECKVHWXOEH-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547269581 318276603 /nfs/dbraw/zinc/27/66/03/318276603.db2.gz WHPRFZDZEVPVEW-LBPRGKRZSA-N 0 3 337.395 2.470 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564854471 319118519 /nfs/dbraw/zinc/11/85/19/319118519.db2.gz QEBKOTKVLYXAMM-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC000567561214 319389968 /nfs/dbraw/zinc/38/99/68/319389968.db2.gz OLDUXDQPDJYTPP-INIZCTEOSA-N 0 3 332.404 2.411 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296051919 465064554 /nfs/dbraw/zinc/06/45/54/465064554.db2.gz FSQPAKVOHWRXBG-IAOVAPTHSA-N 0 3 345.399 2.389 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000339308769 465199282 /nfs/dbraw/zinc/19/92/82/465199282.db2.gz JPFJJMMXQBGVKG-UHFFFAOYSA-N 0 3 348.378 2.349 20 5 EEBDHN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)(C)CN(C)C ZINC000342352229 465312336 /nfs/dbraw/zinc/31/23/36/465312336.db2.gz UGFHKVSMBFJDEM-SNVBAGLBSA-N 0 3 333.392 2.632 20 5 EEBDHN COc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404095 465349810 /nfs/dbraw/zinc/34/98/10/465349810.db2.gz LUVBFSISAUERAH-MRXNPFEDSA-N 0 3 349.431 2.148 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521141593 468291845 /nfs/dbraw/zinc/29/18/45/468291845.db2.gz NAMZJONYLWQPOK-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN COc1cc(CN[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000152712303 462572347 /nfs/dbraw/zinc/57/23/47/462572347.db2.gz ZEDVKDBHKCUGRR-OAHLLOKOSA-N 0 3 346.383 2.305 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000590688532 468306261 /nfs/dbraw/zinc/30/62/61/468306261.db2.gz IZTIRSTUDIECCE-DLBZAZTESA-N 0 3 342.399 2.178 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1(=O)=O ZINC000090466250 462792301 /nfs/dbraw/zinc/79/23/01/462792301.db2.gz IJYWVADMYUXBKE-TZMCWYRMSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000065901191 462838146 /nfs/dbraw/zinc/83/81/46/462838146.db2.gz CESOKHLMSVOCQO-AWEZNQCLSA-N 0 3 334.420 2.243 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]cc2C1 ZINC000118854575 462856727 /nfs/dbraw/zinc/85/67/27/462856727.db2.gz PAMGPCGEMDJAJE-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN COc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067273325 462986716 /nfs/dbraw/zinc/98/67/16/462986716.db2.gz DWKFQISEGMRUEB-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1ncsc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078950151 463171144 /nfs/dbraw/zinc/17/11/44/463171144.db2.gz NAJVCEBHKOFSRI-LBPRGKRZSA-N 0 3 333.417 2.484 20 5 EEBDHN CC(C)N1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068777307 463173909 /nfs/dbraw/zinc/17/39/09/463173909.db2.gz QEJVPNZPKBEPOL-UHFFFAOYSA-N 0 3 344.415 2.492 20 5 EEBDHN CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000081598575 463467712 /nfs/dbraw/zinc/46/77/12/463467712.db2.gz SPWVOIQISPMILX-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125093799 463502411 /nfs/dbraw/zinc/50/24/11/463502411.db2.gz BVDUIURYKBIULW-MNOVXSKESA-N 0 3 347.462 2.116 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000170684612 463695192 /nfs/dbraw/zinc/69/51/92/463695192.db2.gz NBGISOASYDOIRZ-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261724469 463840332 /nfs/dbraw/zinc/84/03/32/463840332.db2.gz NSWGOAWMUZJBKK-OAHLLOKOSA-N 0 3 335.795 2.091 20 5 EEBDHN C[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414393 463858754 /nfs/dbraw/zinc/85/87/54/463858754.db2.gz PAEGFSAQKTZRRW-QWRGUYRKSA-N 0 3 335.360 2.430 20 5 EEBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186058280 463929548 /nfs/dbraw/zinc/92/95/48/463929548.db2.gz ITGRBOKVRBEBSB-UHFFFAOYSA-N 0 3 349.435 2.132 20 5 EEBDHN Cn1cc(CN2CCC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269340233 463958629 /nfs/dbraw/zinc/95/86/29/463958629.db2.gz FUVDFGOOGPELEO-ZDUSSCGKSA-N 0 3 330.388 2.200 20 5 EEBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579072 464026168 /nfs/dbraw/zinc/02/61/68/464026168.db2.gz YXCYCZJBSFRVJP-RDJZCZTQSA-N 0 3 338.404 2.259 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000280958335 464280407 /nfs/dbraw/zinc/28/04/07/464280407.db2.gz UOWCXMQAZSTSNH-SNVBAGLBSA-N 0 3 347.387 2.436 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271761744 464374741 /nfs/dbraw/zinc/37/47/41/464374741.db2.gz GXHUFPPEMSOWKB-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000188936849 464401417 /nfs/dbraw/zinc/40/14/17/464401417.db2.gz AJTGMVPVYVMENV-LLVKDONJSA-N 0 3 325.340 2.173 20 5 EEBDHN CN1CC=C(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272024386 464451467 /nfs/dbraw/zinc/45/14/67/464451467.db2.gz VSKVAYXWAUOFGL-UHFFFAOYSA-N 0 3 332.404 2.165 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181429566 464489040 /nfs/dbraw/zinc/48/90/40/464489040.db2.gz PKYXCPVIMQBDJN-LLVKDONJSA-N 0 3 343.330 2.362 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189472446 464512352 /nfs/dbraw/zinc/51/23/52/464512352.db2.gz MNGZISAEHFMDFE-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000245921187 464527416 /nfs/dbraw/zinc/52/74/16/464527416.db2.gz GZJBTFZASCCWHC-HOCLYGCPSA-N 0 3 332.404 2.221 20 5 EEBDHN COc1cc(C(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000294615155 464553640 /nfs/dbraw/zinc/55/36/40/464553640.db2.gz ORYGMIVGHQCAPX-UHFFFAOYSA-N 0 3 339.367 2.156 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000281756328 464574566 /nfs/dbraw/zinc/57/45/66/464574566.db2.gz YUZYFTRBMXPBAB-ZDUSSCGKSA-N 0 3 335.404 2.271 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294953878 464661169 /nfs/dbraw/zinc/66/11/69/464661169.db2.gz OEIHJODCLMMZAZ-SNVBAGLBSA-N 0 3 331.294 2.438 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997421 464769323 /nfs/dbraw/zinc/76/93/23/464769323.db2.gz YCOWWKNLXLZZRF-HIFRSBDPSA-N 0 3 333.388 2.059 20 5 EEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000184476786 464981999 /nfs/dbraw/zinc/98/19/99/464981999.db2.gz YLJKIRNGOYSQMQ-AHIWAGSCSA-N 0 3 344.415 2.123 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccnc(OCCN(C)C)c1 ZINC000192730957 464985492 /nfs/dbraw/zinc/98/54/92/464985492.db2.gz FWBHBCVVITULDQ-UHFFFAOYSA-N 0 3 348.407 2.067 20 5 EEBDHN CCN1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000342483237 465324482 /nfs/dbraw/zinc/32/44/82/465324482.db2.gz YTUVEQVEBHFBPC-WDEREUQCSA-N 0 3 331.376 2.163 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000351882357 465416892 /nfs/dbraw/zinc/41/68/92/465416892.db2.gz FWPVPEOHOCDUBB-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000348312980 465545093 /nfs/dbraw/zinc/54/50/93/465545093.db2.gz FIZDZRXLCBXXOM-LBPRGKRZSA-N 0 3 331.376 2.316 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000330605581 465728822 /nfs/dbraw/zinc/72/88/22/465728822.db2.gz ZHPFEKWSRRETTF-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CNc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209595 465838801 /nfs/dbraw/zinc/83/88/01/465838801.db2.gz HAMHPPVGVWRELP-CYBMUJFWSA-N 0 3 332.404 2.337 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170540 465958403 /nfs/dbraw/zinc/95/84/03/465958403.db2.gz AOILASFMYSFRSW-AVGNSLFASA-N 0 3 349.435 2.244 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170540 465958410 /nfs/dbraw/zinc/95/84/10/465958410.db2.gz AOILASFMYSFRSW-AVGNSLFASA-N 0 3 349.435 2.244 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176630 465963818 /nfs/dbraw/zinc/96/38/18/465963818.db2.gz KDXZHWCYMHLWEZ-ZQIUZPCESA-N 0 3 347.415 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN(C[C@H]4CCOC4)CC3)ccc2c1 ZINC000301534502 465979839 /nfs/dbraw/zinc/97/98/39/465979839.db2.gz IOEIHUYWHPOEKN-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN CC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(CC)CC ZINC000346232137 466012817 /nfs/dbraw/zinc/01/28/17/466012817.db2.gz YSMQITLPOUGBDY-ZFWWWQNUSA-N 0 3 349.435 2.123 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000580106038 468467575 /nfs/dbraw/zinc/46/75/75/468467575.db2.gz XXZSGJCEJPVQLX-UHFFFAOYSA-N 0 3 349.435 2.389 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000580106038 468467581 /nfs/dbraw/zinc/46/75/81/468467581.db2.gz XXZSGJCEJPVQLX-UHFFFAOYSA-N 0 3 349.435 2.389 20 5 EEBDHN CN(C)C1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000353668434 466053108 /nfs/dbraw/zinc/05/31/08/466053108.db2.gz FYXUHBYSEIILBI-INIZCTEOSA-N 0 3 343.431 2.492 20 5 EEBDHN COC(=O)[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597217499 468482952 /nfs/dbraw/zinc/48/29/52/468482952.db2.gz DBCXFRUSJDVRHV-XBXGTLAGSA-N 0 3 344.371 2.037 20 5 EEBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000332010483 466344982 /nfs/dbraw/zinc/34/49/82/466344982.db2.gz QNAXWTDPZWHQGS-ZDUSSCGKSA-N 0 3 328.372 2.066 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000305743577 466443960 /nfs/dbraw/zinc/44/39/60/466443960.db2.gz UBYNXHAQDGIZGO-MSOLQXFVSA-N 0 3 328.368 2.052 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000597254871 468497228 /nfs/dbraw/zinc/49/72/28/468497228.db2.gz NHJDEQORCLQFKH-UHFFFAOYSA-N 0 3 330.388 2.342 20 5 EEBDHN C[C@@H](CCN(C)C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000350735506 466591755 /nfs/dbraw/zinc/59/17/55/466591755.db2.gz FXPSJMIAPDYYBV-LBPRGKRZSA-N 0 3 345.403 2.311 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])cc1C ZINC000319772974 466600078 /nfs/dbraw/zinc/60/00/78/466600078.db2.gz ZELUMOWGOFMEBA-GFCCVEGCSA-N 0 3 329.422 2.007 20 5 EEBDHN CC1(C)CNCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591678417 468501292 /nfs/dbraw/zinc/50/12/92/468501292.db2.gz UODYIXDZBRQYQB-UHFFFAOYSA-N 0 3 341.795 2.228 20 5 EEBDHN COc1cc(CN[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000362186221 466609913 /nfs/dbraw/zinc/60/99/13/466609913.db2.gz ZBWOABHWEMBBTN-NSHDSACASA-N 0 3 348.346 2.354 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000374617669 466694332 /nfs/dbraw/zinc/69/43/32/466694332.db2.gz CZFQVYYWKBUQPG-AWEZNQCLSA-N 0 3 334.351 2.474 20 5 EEBDHN CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000412222879 467042111 /nfs/dbraw/zinc/04/21/11/467042111.db2.gz SNQOCOKNJVAVAF-JJXSEGSLSA-N 0 3 349.456 2.202 20 5 EEBDHN CCn1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056604 467287440 /nfs/dbraw/zinc/28/74/40/467287440.db2.gz ZMLRUIORNDLVEU-HUUCEWRRSA-N 0 3 345.403 2.246 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000452116521 467329890 /nfs/dbraw/zinc/32/98/90/467329890.db2.gz NFPZANPUNAJSAB-HNNXBMFYSA-N 0 3 334.420 2.256 20 5 EEBDHN CC(C)NC(=O)c1ccc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420633543 467438433 /nfs/dbraw/zinc/43/84/33/467438433.db2.gz JLDSBDLJUJXUOO-AWEZNQCLSA-N 0 3 334.420 2.263 20 5 EEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452973707 467449554 /nfs/dbraw/zinc/44/95/54/467449554.db2.gz KLRURWQPCHIQLF-HLLBOEOZSA-N 0 3 331.416 2.326 20 5 EEBDHN CCN(CC)C[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448976209 467609488 /nfs/dbraw/zinc/60/94/88/467609488.db2.gz LPFUAMBJGGAHCQ-ZDUSSCGKSA-N 0 3 335.404 2.404 20 5 EEBDHN CCN1CCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220432 467802075 /nfs/dbraw/zinc/80/20/75/467802075.db2.gz ZBJDZBGYTLEADP-MRXNPFEDSA-N 0 3 348.447 2.323 20 5 EEBDHN C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000458476975 467842212 /nfs/dbraw/zinc/84/22/12/467842212.db2.gz OMXOALGTCOBQQA-CQSZACIVSA-N 0 3 346.431 2.263 20 5 EEBDHN CN1CCC(O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514728765 467951251 /nfs/dbraw/zinc/95/12/51/467951251.db2.gz HSUVINIHTGTVMD-CYBMUJFWSA-N 0 3 347.337 2.245 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530716696 468004525 /nfs/dbraw/zinc/00/45/25/468004525.db2.gz WTPVKYGWFZQKLC-NEPJUHHUSA-N 0 3 347.371 2.022 20 5 EEBDHN COc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197839 468509588 /nfs/dbraw/zinc/50/95/88/468509588.db2.gz QPOIRESVUYXPIR-KGLIPLIRSA-N 0 3 333.388 2.350 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600271917 468516564 /nfs/dbraw/zinc/51/65/64/468516564.db2.gz KUGBZSUOSZYNBN-CQSZACIVSA-N 0 3 340.383 2.481 20 5 EEBDHN O=C([C@H]1CNCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000592217933 468658428 /nfs/dbraw/zinc/65/84/28/468658428.db2.gz ZQISHCZESCLLAO-SFHVURJKSA-N 0 3 337.379 2.367 20 5 EEBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]2C1 ZINC000601185710 468775624 /nfs/dbraw/zinc/77/56/24/468775624.db2.gz ZHNDDUSRJZHXOX-ZJUUUORDSA-N 0 3 330.310 2.397 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COCC[C@H]1O ZINC000601306639 468819590 /nfs/dbraw/zinc/81/95/90/468819590.db2.gz NOVWNOCBQIOIGB-YRGRVCCFSA-N 0 3 326.418 2.205 20 5 EEBDHN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000595450515 468857763 /nfs/dbraw/zinc/85/77/63/468857763.db2.gz OCKAPSOPLBSICR-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101227 468872179 /nfs/dbraw/zinc/87/21/79/468872179.db2.gz NSVKHWUWWUFLIS-DZGCQCFKSA-N 0 3 335.379 2.219 20 5 EEBDHN CC[C@H]1CCCCN1CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598596651 468927259 /nfs/dbraw/zinc/92/72/59/468927259.db2.gz RHFUJGZQXUVNTA-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000610719179 469048995 /nfs/dbraw/zinc/04/89/95/469048995.db2.gz KEBPKLUZTHOKOY-AWEZNQCLSA-N 0 3 349.435 2.180 20 5 EEBDHN Cc1ccccc1CN1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596083955 469145857 /nfs/dbraw/zinc/14/58/57/469145857.db2.gz ZGYQUPCOMDUWTB-UHFFFAOYSA-N 0 3 341.415 2.957 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000596251125 469221689 /nfs/dbraw/zinc/22/16/89/469221689.db2.gz OFMZJNGDJGPFRH-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000603084850 469255479 /nfs/dbraw/zinc/25/54/79/469255479.db2.gz WJXHYCHPTVQXOX-UHFFFAOYSA-N 0 3 340.383 2.271 20 5 EEBDHN CO[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000602454839 469323344 /nfs/dbraw/zinc/32/33/44/469323344.db2.gz RCQSFNOOAFVHJK-SFHVURJKSA-N 0 3 349.431 2.158 20 5 EEBDHN C[C@H]1CN(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602544497 469355597 /nfs/dbraw/zinc/35/55/97/469355597.db2.gz KBBIZFDAIKUUPL-NSHDSACASA-N 0 3 347.337 2.424 20 5 EEBDHN COc1cc(CN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000613380872 469699756 /nfs/dbraw/zinc/69/97/56/469699756.db2.gz VFAORMJUBQQVTI-UHFFFAOYSA-N 0 3 346.362 2.460 20 5 EEBDHN C[C@@H](C(=O)N1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690155 469760133 /nfs/dbraw/zinc/76/01/33/469760133.db2.gz WYYCPDKBUPCZAW-CQSZACIVSA-N 0 3 340.383 2.442 20 5 EEBDHN CC1(C)C[C@H](NCCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433238188 517513995 /nfs/dbraw/zinc/51/39/95/517513995.db2.gz DVNMEGVTVWNJKL-HNNXBMFYSA-N 0 3 343.387 2.060 20 5 EEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459778142 535947128 /nfs/dbraw/zinc/94/71/28/535947128.db2.gz PGIZZTSACMDKBZ-ZBINZKHDSA-N 0 3 337.376 2.088 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000776592284 577463691 /nfs/dbraw/zinc/46/36/91/577463691.db2.gz WIQDVQURSBJGGR-ROUUACIJSA-N 0 3 328.368 2.220 20 5 EEBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823645982 606218903 /nfs/dbraw/zinc/21/89/03/606218903.db2.gz YXOLSOHNNVVCOD-UHFFFAOYSA-N 0 3 346.372 2.005 20 5 EEBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823645982 606218904 /nfs/dbraw/zinc/21/89/04/606218904.db2.gz YXOLSOHNNVVCOD-UHFFFAOYSA-N 0 3 346.372 2.005 20 5 EEBDHN Cc1cncc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c1 ZINC001021929634 676551390 /nfs/dbraw/zinc/55/13/90/676551390.db2.gz PVROFGSXGGCVPX-IYBDPMFKSA-N 0 3 340.383 2.349 20 5 EEBDHN CC(COC(=O)COCCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000893048238 683645932 /nfs/dbraw/zinc/64/59/32/683645932.db2.gz TXZLJVBRMJNBKP-SNVBAGLBSA-N 0 3 346.177 2.217 20 5 EEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264534 684386194 /nfs/dbraw/zinc/38/61/94/684386194.db2.gz FUFKGLBZGZQHDA-JKSUJKDBSA-N 0 3 332.404 2.015 20 5 EEBDHN CSCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989900793 692443853 /nfs/dbraw/zinc/44/38/53/692443853.db2.gz OXKMLRUIABNRII-UHFFFAOYSA-N 0 3 329.447 2.100 20 5 EEBDHN Cc1sc2[nH]c(CCC(=O)OCC(C)[N+](=O)[O-])nc(=O)c2c1C ZINC000813107675 1201117993 /nfs/dbraw/zinc/11/79/93/1201117993.db2.gz QFTAKKRBBVVGRJ-ZETCQYMHSA-N 0 3 339.373 2.155 20 5 EEBDHN Cc1ccc(-n2nc(C(=O)OCC(C)[N+](=O)[O-])c3c2CCC3)cc1 ZINC000813114691 1201124784 /nfs/dbraw/zinc/12/47/84/1201124784.db2.gz GBNRVDBFXFIRDN-GFCCVEGCSA-N 0 3 329.356 2.491 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120895832 1201430492 /nfs/dbraw/zinc/43/04/92/1201430492.db2.gz IWKCYDJPPWLTHC-NSHDSACASA-N 0 3 347.412 2.051 20 5 EEBDHN CCCN(C)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095361322 1204180804 /nfs/dbraw/zinc/18/08/04/1204180804.db2.gz BVFJGCUGKUVDFT-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CN(C)C(C)C)c1 ZINC001095574756 1205878377 /nfs/dbraw/zinc/87/83/77/1205878377.db2.gz MUBMKYLMBJCNDS-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C3(CN(C)C)CC3)n2)c1 ZINC000924016714 1205930661 /nfs/dbraw/zinc/93/06/61/1205930661.db2.gz PQHBIHCAJZEVGJ-UHFFFAOYSA-N 0 3 332.360 2.170 20 5 EEBDHN O=C(c1ccco1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048648825 1238186299 /nfs/dbraw/zinc/18/62/99/1238186299.db2.gz ZPTDRXQKVDNUDY-GASCZTMLSA-N 0 3 341.367 2.392 20 5 EEBDHN Cc1[n-]c(=O)cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001228686689 1302381373 /nfs/dbraw/zinc/38/13/73/1302381373.db2.gz QNQKHGUGIVXWTQ-GFCCVEGCSA-N 0 3 337.376 2.026 20 5 EEBDHN CN(CCCNC(=O)c1cccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234027314 1304693042 /nfs/dbraw/zinc/69/30/42/1304693042.db2.gz GBJNUNCWEWOAMU-UHFFFAOYSA-N 0 3 330.388 2.185 20 5 EEBDHN Cc1ccnc(-n2nc(C(F)(F)F)c3c2CCNC3)c1[N+](=O)[O-] ZINC001154848690 1317349726 /nfs/dbraw/zinc/34/97/26/1317349726.db2.gz ZNYDTAKHVQEGDC-UHFFFAOYSA-N 0 3 327.266 2.148 20 5 EEBDHN C[C@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155254936 1317525707 /nfs/dbraw/zinc/52/57/07/1317525707.db2.gz PJZNYMFRZMYOEV-QMMMGPOBSA-N 0 3 333.735 2.240 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001155843298 1317760716 /nfs/dbraw/zinc/76/07/16/1317760716.db2.gz UZXNTJGCSYPFNG-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN COc1ccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)n1 ZINC001254584582 1318133463 /nfs/dbraw/zinc/13/34/63/1318133463.db2.gz HVWPRGZEGMKQCX-CQSZACIVSA-N 0 3 329.356 2.264 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](Oc3ncccn3)C1)C2 ZINC001254606585 1318142373 /nfs/dbraw/zinc/14/23/73/1318142373.db2.gz GRUNVOFYSKVLSS-CVEARBPZSA-N 0 3 326.356 2.005 20 5 EEBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2CN2CC[NH2+]CC2)c1 ZINC001160296907 1320126465 /nfs/dbraw/zinc/12/64/65/1320126465.db2.gz MDSWOUBMKUIGLV-UHFFFAOYSA-N 0 3 328.372 2.449 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NCCN(C)CCOC)cc1C ZINC001306953426 1331502323 /nfs/dbraw/zinc/50/23/23/1331502323.db2.gz NDEXNUKLNMEDRR-UHFFFAOYSA-N 0 3 339.392 2.070 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC001329593798 1334681320 /nfs/dbraw/zinc/68/13/20/1334681320.db2.gz CXAPDVGPGJTXOV-LBPRGKRZSA-N 0 3 336.348 2.026 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC001593481755 1349812704 /nfs/dbraw/zinc/81/27/04/1349812704.db2.gz KDMQIJUMBHQZKZ-QIMFLAQGSA-N 0 3 328.376 2.443 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC001593481755 1349812708 /nfs/dbraw/zinc/81/27/08/1349812708.db2.gz KDMQIJUMBHQZKZ-QIMFLAQGSA-N 0 3 328.376 2.443 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H](CO)CN3CCCCC3)sc2c1 ZINC000828167010 1372239309 /nfs/dbraw/zinc/23/93/09/1372239309.db2.gz PACULEKHZYLQAO-LLVKDONJSA-N 0 3 336.417 2.463 20 5 EEBDHN CC(C)(C[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562884 1372336315 /nfs/dbraw/zinc/33/63/15/1372336315.db2.gz ATPZBUGDOBAOTR-XJKSGUPXSA-N 0 3 349.431 2.242 20 5 EEBDHN Cc1ccc(N(C)CCN(C)C(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001105415526 783205969 /nfs/dbraw/zinc/20/59/69/783205969.db2.gz XGSAZMKUFOCALN-UHFFFAOYSA-N 0 3 336.436 2.138 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846913795 790750347 /nfs/dbraw/zinc/75/03/47/790750347.db2.gz UTXYMEIUONJZCE-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C2CC2)CCOCC1 ZINC001131812871 783294918 /nfs/dbraw/zinc/29/49/18/783294918.db2.gz RBJBCPDZVBZQBK-UHFFFAOYSA-N 0 3 347.415 2.007 20 5 EEBDHN CCCn1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001135710106 784277442 /nfs/dbraw/zinc/27/74/42/784277442.db2.gz TYHRKNNZUCGZIG-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@H]1CCCN1C ZINC000817131826 784527567 /nfs/dbraw/zinc/52/75/67/784527567.db2.gz RDDHVLGIGKLQSE-LLVKDONJSA-N 0 3 339.367 2.441 20 5 EEBDHN C[S@@](=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137358 785418660 /nfs/dbraw/zinc/41/86/60/785418660.db2.gz BFZCQMMUQMALPK-QMHKHESXSA-N 0 3 334.397 2.155 20 5 EEBDHN O=C1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173224 785447780 /nfs/dbraw/zinc/44/77/80/785447780.db2.gz KZCSJGNLOGXXFL-PBHICJAKSA-N 0 3 347.415 2.151 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107280923 786701290 /nfs/dbraw/zinc/70/12/90/786701290.db2.gz YBOUYHWFTLTIRI-AATRIKPKSA-N 0 3 334.420 2.329 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095228804 797552771 /nfs/dbraw/zinc/55/27/71/797552771.db2.gz YTQLYNMMSVNXEJ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001128284178 798662239 /nfs/dbraw/zinc/66/22/39/798662239.db2.gz IFEBCOXJTLIZSC-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN COCC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177678886 799071211 /nfs/dbraw/zinc/07/12/11/799071211.db2.gz RNZIARLOLVFFEY-UHFFFAOYSA-N 0 3 329.422 2.069 20 5 EEBDHN CCn1ncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001169032063 803577730 /nfs/dbraw/zinc/57/77/30/803577730.db2.gz DRPXKKVVCHHCSP-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN CCOc1cnc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001169583909 803888812 /nfs/dbraw/zinc/88/88/12/803888812.db2.gz GEIHWTIZCCAKFZ-UHFFFAOYSA-N 0 3 329.360 2.327 20 5 EEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](F)[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC001170328387 809893474 /nfs/dbraw/zinc/89/34/74/809893474.db2.gz KHKBWMPLEWUEHD-PEYYIBSZSA-N 0 3 326.368 2.329 20 5 EEBDHN Cc1csc(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001131373043 812734936 /nfs/dbraw/zinc/73/49/36/812734936.db2.gz XUGHXBOGBOPJRM-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN CC(C)(CC(N)=O)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000227054578 201039165 /nfs/dbraw/zinc/03/91/65/201039165.db2.gz HHLXPVKOQPCGKV-UHFFFAOYSA-N 0 3 330.182 2.101 20 5 EEBDHN Cn1nccc1N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000447091237 242246756 /nfs/dbraw/zinc/24/67/56/242246756.db2.gz PQHLFLFBIWTIGN-ZDUSSCGKSA-N 0 3 333.367 2.226 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451493512 243133174 /nfs/dbraw/zinc/13/31/74/243133174.db2.gz QJNJNPPIBJICLJ-VUCTXSBTSA-N 0 3 345.399 2.389 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245521476 205138791 /nfs/dbraw/zinc/13/87/91/205138791.db2.gz KPDYWFIGWFDFCG-NEPJUHHUSA-N 0 3 349.387 2.174 20 5 EEBDHN O=C(CCN1CCN(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265156629 247255039 /nfs/dbraw/zinc/25/50/39/247255039.db2.gz UYRIEHCYMDIEHV-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000265274740 247361456 /nfs/dbraw/zinc/36/14/56/247361456.db2.gz PGEYEQHYDNCKNY-JTQLQIEISA-N 0 3 329.784 2.083 20 5 EEBDHN COc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1OC ZINC000266348528 248259106 /nfs/dbraw/zinc/25/91/06/248259106.db2.gz DSAOCGXXAVSFFY-LBPRGKRZSA-N 0 3 349.391 2.060 20 5 EEBDHN CCN(Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523887 248344831 /nfs/dbraw/zinc/34/48/31/248344831.db2.gz JMNBSIYHHGROLA-HNNXBMFYSA-N 0 3 338.795 2.328 20 5 EEBDHN C[C@](CO)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000174793950 207059978 /nfs/dbraw/zinc/05/99/78/207059978.db2.gz UTCZEJKHEITNSG-QGZVFWFLSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177067111 207290256 /nfs/dbraw/zinc/29/02/56/207290256.db2.gz MBRCVYNWRXGXTM-CHWSQXEVSA-N 0 3 333.388 2.105 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CC2)OCCc2ccsc23)n1 ZINC000352762592 285167979 /nfs/dbraw/zinc/16/79/79/285167979.db2.gz HGZBEUWMLNQKKS-UHFFFAOYSA-N 0 3 348.428 2.417 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000267620781 256073373 /nfs/dbraw/zinc/07/33/73/256073373.db2.gz MSYPAALCQJTINO-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN CCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267954410 256099441 /nfs/dbraw/zinc/09/94/41/256099441.db2.gz XQBDEMLZIJXVFX-UHFFFAOYSA-N 0 3 348.172 2.178 20 5 EEBDHN CS[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270547002 256146891 /nfs/dbraw/zinc/14/68/91/256146891.db2.gz YVPQKMNZQZPADL-AOEIMKSNSA-N 0 3 335.429 2.112 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000273531368 256304653 /nfs/dbraw/zinc/30/46/53/256304653.db2.gz RINYENXYPSIDFX-HUUCEWRRSA-N 0 3 335.429 2.247 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCCN(C)C ZINC000120216984 292251783 /nfs/dbraw/zinc/25/17/83/292251783.db2.gz QYAMAWBSLDRKLX-SNVBAGLBSA-N 0 3 327.406 2.225 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000342771197 161089432 /nfs/dbraw/zinc/08/94/32/161089432.db2.gz YOZVQSGCBSKXJJ-OAHLLOKOSA-N 0 3 346.362 2.349 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000344353907 161219458 /nfs/dbraw/zinc/21/94/58/161219458.db2.gz DSGDDIVUPYDZFO-DLBZAZTESA-N 0 3 333.388 2.389 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344353910 161219509 /nfs/dbraw/zinc/21/95/09/161219509.db2.gz DSGDDIVUPYDZFO-IAGOWNOFSA-N 0 3 333.388 2.389 20 5 EEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN2CCC[C@H]2C1 ZINC000344946639 161258352 /nfs/dbraw/zinc/25/83/52/161258352.db2.gz XGOSWMOEWZLBPM-RYUDHWBXSA-N 0 3 339.417 2.037 20 5 EEBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346530656 161379768 /nfs/dbraw/zinc/37/97/68/161379768.db2.gz DVJPRWWGZAYVNK-UHFFFAOYSA-N 0 3 348.378 2.276 20 5 EEBDHN Cc1c(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210882 164084124 /nfs/dbraw/zinc/08/41/24/164084124.db2.gz DVDSLTUHXRRQNW-FZMZJTMJSA-N 0 3 332.404 2.328 20 5 EEBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N(CCN1CCCCCC1)C1CCC1 ZINC000359823639 164178576 /nfs/dbraw/zinc/17/85/76/164178576.db2.gz VIPYZTYWAMZLNN-UHFFFAOYSA-N 0 3 349.435 2.048 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000360087229 164229629 /nfs/dbraw/zinc/22/96/29/164229629.db2.gz WFQBAAPXKYQECR-CYBMUJFWSA-N 0 3 337.445 2.487 20 5 EEBDHN Cn1cc(C[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370007010 166375403 /nfs/dbraw/zinc/37/54/03/166375403.db2.gz DXXDSHXMROWGFR-CQSZACIVSA-N 0 3 330.388 2.272 20 5 EEBDHN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275616754 269130295 /nfs/dbraw/zinc/13/02/95/269130295.db2.gz NWLNKPHRFZNWON-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000277437238 269155398 /nfs/dbraw/zinc/15/53/98/269155398.db2.gz JDLSPMZFGJZVBY-LLVKDONJSA-N 0 3 349.412 2.322 20 5 EEBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000280930622 269398974 /nfs/dbraw/zinc/39/89/74/269398974.db2.gz BTORRISHZCBDGR-UHFFFAOYSA-N 0 3 347.824 2.011 20 5 EEBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000284447976 269596600 /nfs/dbraw/zinc/59/66/00/269596600.db2.gz CJJDYZBAPFFZPV-OLZOCXBDSA-N 0 3 343.330 2.106 20 5 EEBDHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762279 274062325 /nfs/dbraw/zinc/06/23/25/274062325.db2.gz ASCSEXNIJHDFKI-BZUAXINKSA-N 0 3 333.388 2.247 20 5 EEBDHN Cn1cc([C@H](CO)N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271541690 274141070 /nfs/dbraw/zinc/14/10/70/274141070.db2.gz QVBNBBYHPZJFAS-XKQJLSEDSA-N 0 3 344.415 2.363 20 5 EEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(C)(C)O ZINC000275659405 274259066 /nfs/dbraw/zinc/25/90/66/274259066.db2.gz XZMMMLDNPNPCOA-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743059 274398042 /nfs/dbraw/zinc/39/80/42/274398042.db2.gz VPDDRKRSCJCHJF-PXAZEXFGSA-N 0 3 332.356 2.484 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CN3CCC[C@H]3CO1)CCC2 ZINC000365489598 275038428 /nfs/dbraw/zinc/03/84/28/275038428.db2.gz FWUVIUBWTDCMCY-XYJFISCASA-N 0 3 331.416 2.425 20 5 EEBDHN COC(=O)c1cc(CNCCc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291105204 275270837 /nfs/dbraw/zinc/27/08/37/275270837.db2.gz BIIGUTYAABDMKR-UHFFFAOYSA-N 0 3 331.372 2.361 20 5 EEBDHN Cc1cc(N2CCN([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363665417 280559592 /nfs/dbraw/zinc/55/95/92/280559592.db2.gz NIZFWFFCAIRDLJ-OAHLLOKOSA-N 0 3 342.399 2.362 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000296564804 294009564 /nfs/dbraw/zinc/00/95/64/294009564.db2.gz CZRULZATLGUZIU-INIZCTEOSA-N 0 3 334.376 2.163 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000412173986 312626043 /nfs/dbraw/zinc/62/60/43/312626043.db2.gz WCFFXNZWTZWBQC-ZMSDIMECSA-N 0 3 349.456 2.252 20 5 EEBDHN NC(=O)c1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439131449 315069141 /nfs/dbraw/zinc/06/91/41/315069141.db2.gz ODDUFMHZIZBHTF-CQSZACIVSA-N 0 3 340.383 2.380 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(C)C ZINC000444170309 315278600 /nfs/dbraw/zinc/27/86/00/315278600.db2.gz SSLQWXDZQKIFPR-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1nccn1CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666202 315315286 /nfs/dbraw/zinc/31/52/86/315315286.db2.gz QQGRAPQOOJELSG-UHFFFAOYSA-N 0 3 328.376 2.498 20 5 EEBDHN Cc1ccccc1OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515475443 316497707 /nfs/dbraw/zinc/49/77/07/316497707.db2.gz XHUACDNBANOLCN-HNNXBMFYSA-N 0 3 346.383 2.312 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000542754909 318138615 /nfs/dbraw/zinc/13/86/15/318138615.db2.gz HSWBUAWUDIPVHR-CYBMUJFWSA-N 0 3 334.420 2.467 20 5 EEBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000182280935 323370995 /nfs/dbraw/zinc/37/09/95/323370995.db2.gz SQXTYTIPFNSBOA-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN COCCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486968684 447826959 /nfs/dbraw/zinc/82/69/59/447826959.db2.gz JRGDFHOLALKQKH-UHFFFAOYSA-N 0 3 347.375 2.168 20 5 EEBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923276 465007092 /nfs/dbraw/zinc/00/70/92/465007092.db2.gz FLXALAMWBYMGNX-UONOGXRCSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000347592408 465110667 /nfs/dbraw/zinc/11/06/67/465110667.db2.gz NGHSATNLIJAFFT-CVEARBPZSA-N 0 3 343.431 2.386 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccccc2[N+](=O)[O-])cn1 ZINC000354836069 465181481 /nfs/dbraw/zinc/18/14/81/465181481.db2.gz AQENZCXAOAUWOW-HOTGVXAUSA-N 0 3 347.394 2.031 20 5 EEBDHN Cc1ncsc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590659205 468298377 /nfs/dbraw/zinc/29/83/77/468298377.db2.gz XPDDULJIPWCVLP-UHFFFAOYSA-N 0 3 335.385 2.463 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000061035309 462574112 /nfs/dbraw/zinc/57/41/12/462574112.db2.gz VSQASVFFHFDFRG-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000153865248 462701597 /nfs/dbraw/zinc/70/15/97/462701597.db2.gz OYBPBRPJYALCOM-MRXNPFEDSA-N 0 3 346.383 2.475 20 5 EEBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552512 462797486 /nfs/dbraw/zinc/79/74/86/462797486.db2.gz VLGSFNYTEHRONN-HUUCEWRRSA-N 0 3 335.404 2.036 20 5 EEBDHN Nc1nc(NC[C@H](c2cccs2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000076267195 462832415 /nfs/dbraw/zinc/83/24/15/462832415.db2.gz GHGGHPNRZGZVFV-SNVBAGLBSA-N 0 3 334.405 2.278 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000118826487 462854797 /nfs/dbraw/zinc/85/47/97/462854797.db2.gz XTQTWUFOHXCHEU-UHFFFAOYSA-N 0 3 340.811 2.214 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048316228 462893499 /nfs/dbraw/zinc/89/34/99/462893499.db2.gz QKUASRSSKSORAY-UHFFFAOYSA-N 0 3 328.372 2.433 20 5 EEBDHN CCN1CCN([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132754 463010526 /nfs/dbraw/zinc/01/05/26/463010526.db2.gz FRJRPOPUVSBQBC-SUQGKYDKSA-N 0 3 344.459 2.320 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121236189 463101762 /nfs/dbraw/zinc/10/17/62/463101762.db2.gz UZEOOMWCAYFAGV-WFASDCNBSA-N 0 3 337.445 2.486 20 5 EEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000058256154 463560317 /nfs/dbraw/zinc/56/03/17/463560317.db2.gz GDAAWIYHNKJUBO-QHHAFSJGSA-N 0 3 333.363 2.490 20 5 EEBDHN CCN1CCN([C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363097 463720221 /nfs/dbraw/zinc/72/02/21/463720221.db2.gz FRJRPOPUVSBQBC-YEODSOHDSA-N 0 3 344.459 2.320 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000178024710 463830849 /nfs/dbraw/zinc/83/08/49/463830849.db2.gz LQESSMSEESRDII-AWEZNQCLSA-N 0 3 339.823 2.402 20 5 EEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016464 463844322 /nfs/dbraw/zinc/84/43/22/463844322.db2.gz QMMZVXVQKHUVIN-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN CCC[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269059010 463862326 /nfs/dbraw/zinc/86/23/26/463862326.db2.gz UAEOBZIAHHUJMX-SNVBAGLBSA-N 0 3 348.325 2.269 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287518035 463912530 /nfs/dbraw/zinc/91/25/30/463912530.db2.gz VEGXWXARKJMAGQ-UHFFFAOYSA-N 0 3 338.383 2.264 20 5 EEBDHN CN(CC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1[N+](=O)[O-] ZINC000269216267 463913670 /nfs/dbraw/zinc/91/36/70/463913670.db2.gz PRTYRDOIYSHNTG-UHFFFAOYSA-N 0 3 340.383 2.315 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000568828135 468390861 /nfs/dbraw/zinc/39/08/61/468390861.db2.gz MRLOBFFDWMGCIP-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000271358247 464294171 /nfs/dbraw/zinc/29/41/71/464294171.db2.gz QOKDFPSHQGHLPM-MLGOLLRUSA-N 0 3 330.388 2.198 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C)C1 ZINC000180454380 464314467 /nfs/dbraw/zinc/31/44/67/464314467.db2.gz XYJMZSRAZYRUGV-RYUDHWBXSA-N 0 3 349.387 2.174 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](N)c1ccccc1 ZINC000237570605 464342243 /nfs/dbraw/zinc/34/22/43/464342243.db2.gz OHCTYJWHCAGOAX-GUYCJALGSA-N 0 3 342.399 2.459 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000271667208 464357663 /nfs/dbraw/zinc/35/76/63/464357663.db2.gz FOZCHNPGBJYRME-HIFRSBDPSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621831 464694995 /nfs/dbraw/zinc/69/49/95/464694995.db2.gz DJMSVMFYYVQMMT-RISCZKNCSA-N 0 3 330.344 2.249 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000266775699 464818125 /nfs/dbraw/zinc/81/81/25/464818125.db2.gz ZEXRQAMPJDQJIW-CABCVRRESA-N 0 3 346.431 2.406 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351878136 465412309 /nfs/dbraw/zinc/41/23/09/465412309.db2.gz IBDWYDODODNYJY-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176628 465964810 /nfs/dbraw/zinc/96/48/10/465964810.db2.gz KDXZHWCYMHLWEZ-JJRVBVJISA-N 0 3 347.415 2.162 20 5 EEBDHN CCN1C[C@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000346178401 465965837 /nfs/dbraw/zinc/96/58/37/465965837.db2.gz IVZFGMQQXQXJOH-KGLIPLIRSA-N 0 3 337.420 2.397 20 5 EEBDHN CCOc1cc(N2CC[C@@H](N3CCN(CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000301566642 465987395 /nfs/dbraw/zinc/98/73/95/465987395.db2.gz ZHPAARGFLMDNEI-MRXNPFEDSA-N 0 3 348.447 2.210 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331279142 466008600 /nfs/dbraw/zinc/00/86/00/466008600.db2.gz ARRVYCCOEONWQW-UHFFFAOYSA-N 0 3 337.424 2.293 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346256345 466034467 /nfs/dbraw/zinc/03/44/67/466034467.db2.gz IQAJAVHBHIOPHA-LLVKDONJSA-N 0 3 341.433 2.013 20 5 EEBDHN COc1c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263808 466040273 /nfs/dbraw/zinc/04/02/73/466040273.db2.gz NJTQBVOSMVUXKI-XJKCOSOUSA-N 0 3 347.415 2.406 20 5 EEBDHN COc1ccncc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402045 466066408 /nfs/dbraw/zinc/06/64/08/466066408.db2.gz BDYDPIQVXVIBOC-ZIAGYGMSSA-N 0 3 331.376 2.468 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000362986974 466161398 /nfs/dbraw/zinc/16/13/98/466161398.db2.gz PLPZRGOPBDYIQU-AWEZNQCLSA-N 0 3 342.399 2.080 20 5 EEBDHN C[C@@H]1CC[C@@H](N(CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940748 466316000 /nfs/dbraw/zinc/31/60/00/466316000.db2.gz LWYOFLABSHINRH-IUODEOHRSA-N 0 3 336.388 2.444 20 5 EEBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338693888 466316258 /nfs/dbraw/zinc/31/62/58/466316258.db2.gz CWWUHEKCVRMBPH-CYBMUJFWSA-N 0 3 333.310 2.401 20 5 EEBDHN CCN1CCC(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000322317081 466631094 /nfs/dbraw/zinc/63/10/94/466631094.db2.gz AKXLGCPKJUGDIK-UHFFFAOYSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520811 466917281 /nfs/dbraw/zinc/91/72/81/466917281.db2.gz XINYDKVKIDVESZ-AAEUAGOBSA-N 0 3 347.371 2.022 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431997449 467207508 /nfs/dbraw/zinc/20/75/08/467207508.db2.gz HIYSMYLXFNCHJY-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000413956169 467349424 /nfs/dbraw/zinc/34/94/24/467349424.db2.gz MISGATQWLAQEMX-UHFFFAOYSA-N 0 3 349.343 2.389 20 5 EEBDHN CN[C@H](CC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000449245360 467625720 /nfs/dbraw/zinc/62/57/20/467625720.db2.gz AHPPVMJJWGGODC-CYBMUJFWSA-N 0 3 337.376 2.344 20 5 EEBDHN CSCC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000449329392 467631413 /nfs/dbraw/zinc/63/14/13/467631413.db2.gz NXBGSENQYPHUJG-JSGCOSHPSA-N 0 3 339.461 2.325 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000457110082 467755107 /nfs/dbraw/zinc/75/51/07/467755107.db2.gz HRGBJWRAHHUMDX-CQSZACIVSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000479584123 468003268 /nfs/dbraw/zinc/00/32/68/468003268.db2.gz CQNSWFDDTHSBNZ-LBPRGKRZSA-N 0 3 337.395 2.465 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594196774 468508906 /nfs/dbraw/zinc/50/89/06/468508906.db2.gz MLTAXERVIGMZAY-ZIAGYGMSSA-N 0 3 333.388 2.350 20 5 EEBDHN CSc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000591758299 468516449 /nfs/dbraw/zinc/51/64/49/468516449.db2.gz VUPSFSMBLFKBFD-AWEZNQCLSA-N 0 3 349.412 2.241 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522781 468614511 /nfs/dbraw/zinc/61/45/11/468614511.db2.gz SVTKNQWDQZBVBT-DGCLKSJQSA-N 0 3 345.403 2.330 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN(CC(C)(C)O)C1CCOCC1 ZINC000559295876 468736431 /nfs/dbraw/zinc/73/64/31/468736431.db2.gz GJDCYBNKGOLVKU-UHFFFAOYSA-N 0 3 338.404 2.355 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598260300 468809293 /nfs/dbraw/zinc/80/92/93/468809293.db2.gz ADBNOLMKFOCUKV-LBPRGKRZSA-N 0 3 349.387 2.174 20 5 EEBDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000593093282 468867952 /nfs/dbraw/zinc/86/79/52/468867952.db2.gz SNQTYHPQMMVTQN-CYBMUJFWSA-N 0 3 338.408 2.378 20 5 EEBDHN COC[C@H](Cc1ccccc1)N(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814363 469092315 /nfs/dbraw/zinc/09/23/15/469092315.db2.gz DRDFXNMSZMQYLP-INIZCTEOSA-N 0 3 332.404 2.289 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588142378 469119882 /nfs/dbraw/zinc/11/98/82/469119882.db2.gz QCSGBEIEVCXBPU-INIZCTEOSA-N 0 3 346.431 2.263 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](N(C)c2ccccc2)C1 ZINC000602902720 469153847 /nfs/dbraw/zinc/15/38/47/469153847.db2.gz LKWPOSGNBOEHQA-INIZCTEOSA-N 0 3 329.404 2.310 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611780462 469321924 /nfs/dbraw/zinc/32/19/24/469321924.db2.gz BYQGITFRBCIEJX-HZPDHXFCSA-N 0 3 339.823 2.279 20 5 EEBDHN COCCOc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602512406 469344838 /nfs/dbraw/zinc/34/48/38/469344838.db2.gz AZJSXWHXQUSOGJ-UHFFFAOYSA-N 0 3 331.372 2.347 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000603848405 469436366 /nfs/dbraw/zinc/43/63/66/469436366.db2.gz SCGIBRSBCNXDGW-QGZVFWFLSA-N 0 3 349.431 2.290 20 5 EEBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388428 469700977 /nfs/dbraw/zinc/70/09/77/469700977.db2.gz ABVDEMWEDBKVNH-XJKSGUPXSA-N 0 3 343.383 2.288 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000610238250 469990848 /nfs/dbraw/zinc/99/08/48/469990848.db2.gz BPZAAUDXMOXTMS-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN Cn1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1=O ZINC000610371190 470008844 /nfs/dbraw/zinc/00/88/44/470008844.db2.gz RVWACBLIDRHGBW-UHFFFAOYSA-N 0 3 343.383 2.337 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000192496935 534888752 /nfs/dbraw/zinc/88/87/52/534888752.db2.gz PLLFADBONLUTKI-NWDGAFQWSA-N 0 3 326.422 2.231 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451773839 535543211 /nfs/dbraw/zinc/54/32/11/535543211.db2.gz NJMXWJFLRSIXGB-HIFRSBDPSA-N 0 3 349.387 2.163 20 5 EEBDHN CCN1C[C@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459453747 535780292 /nfs/dbraw/zinc/78/02/92/535780292.db2.gz CNFHSCCMNPWBNJ-KBPBESRZSA-N 0 3 337.420 2.397 20 5 EEBDHN O=C(CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000725841748 576061667 /nfs/dbraw/zinc/06/16/67/576061667.db2.gz GFKYMBFEXNYAJO-INIZCTEOSA-N 0 3 329.356 2.247 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000776590478 577463562 /nfs/dbraw/zinc/46/35/62/577463562.db2.gz GPNSQXNJSASFLF-QZTJIDSGSA-N 0 3 328.368 2.052 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COC2(CCOCC2)O1 ZINC000777309028 577476430 /nfs/dbraw/zinc/47/64/30/577476430.db2.gz IULJZQMPJNTUTH-HIFRSBDPSA-N 0 3 336.388 2.476 20 5 EEBDHN COCCOc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000751501852 577754376 /nfs/dbraw/zinc/75/43/76/577754376.db2.gz PNBYENLBLUGIDT-QGZVFWFLSA-N 0 3 346.383 2.443 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000741723718 578123086 /nfs/dbraw/zinc/12/30/86/578123086.db2.gz ZAMIVCCFCIPNAM-KBPBESRZSA-N 0 3 346.431 2.408 20 5 EEBDHN Cc1ncccc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020530395 675014218 /nfs/dbraw/zinc/01/42/18/675014218.db2.gz XXRMOVATHAWYAT-SHTZXODSSA-N 0 3 340.383 2.349 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001021995024 676573971 /nfs/dbraw/zinc/57/39/71/676573971.db2.gz WAMWABQWNFTFLU-OKILXGFUSA-N 0 3 344.346 2.180 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1C ZINC000896979897 686022989 /nfs/dbraw/zinc/02/29/89/686022989.db2.gz RDTYGKYCZRHNCH-HNNXBMFYSA-N 0 3 347.415 2.195 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(F)F)CC1 ZINC000985193306 686070093 /nfs/dbraw/zinc/07/00/93/686070093.db2.gz VSQHFJFFTBDBHE-UHFFFAOYSA-N 0 3 327.331 2.283 20 5 EEBDHN COc1cc(CN[C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000897356998 687694120 /nfs/dbraw/zinc/69/41/20/687694120.db2.gz BWSYSXFSJYGWRJ-HOMQSWHASA-N 0 3 346.330 2.108 20 5 EEBDHN O=C(CC(F)(F)C(F)F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133885994 1199155087 /nfs/dbraw/zinc/15/50/87/1199155087.db2.gz FOABCLJEBURZBC-UHFFFAOYSA-N 0 3 337.273 2.091 20 5 EEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C(C)C ZINC000125478326 1199291771 /nfs/dbraw/zinc/29/17/71/1199291771.db2.gz COPHSDQISZEZHU-UHFFFAOYSA-N 0 3 349.840 2.175 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC001134277695 1199443267 /nfs/dbraw/zinc/44/32/67/1199443267.db2.gz NYAOGLYMGTXUMZ-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN O=C(Cc1ccc(F)c(F)c1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133042565 1200345424 /nfs/dbraw/zinc/34/54/24/1200345424.db2.gz IXMFFOYSKVOHAW-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN CC(COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111432 1201123435 /nfs/dbraw/zinc/12/34/35/1201123435.db2.gz HFLIOBOWTHFUOB-NXEZZACHSA-N 0 3 344.364 2.094 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114775772 1215278942 /nfs/dbraw/zinc/27/89/42/1215278942.db2.gz HOOBPOYTWUQBPJ-HDJSIYSDSA-N 0 3 334.420 2.242 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001097075121 1243662500 /nfs/dbraw/zinc/66/25/00/1243662500.db2.gz ISSBPGUVFYOBLV-HDJSIYSDSA-N 0 3 346.431 2.447 20 5 EEBDHN CCCN(CCNC(=O)Cc1nc[nH]c1C)c1ccc([N+](=O)[O-])cc1 ZINC001101164588 1245471951 /nfs/dbraw/zinc/47/19/51/1245471951.db2.gz QNSJKWYBCMFIRA-UHFFFAOYSA-N 0 3 345.403 2.202 20 5 EEBDHN CCN(CC)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101350591 1245698780 /nfs/dbraw/zinc/69/87/80/1245698780.db2.gz UUHGYBYHJRPTRQ-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN Cc1cc(N(CCNC(=O)CN(C)C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001101352522 1245702003 /nfs/dbraw/zinc/70/20/03/1245702003.db2.gz FOXPIRHSSNYZQH-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001101811318 1246207453 /nfs/dbraw/zinc/20/74/53/1246207453.db2.gz ULBVAANRNYYYCF-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000827495943 1248225336 /nfs/dbraw/zinc/22/53/36/1248225336.db2.gz ATLMGARCBPZIBC-CABCVRRESA-N 0 3 328.372 2.418 20 5 EEBDHN CC(COC(=O)[C@]1(C)CC1(Br)Br)[N+](=O)[O-] ZINC000851036226 1277447921 /nfs/dbraw/zinc/44/79/21/1277447921.db2.gz GOMLOVOAFFJMOP-FSPLSTOPSA-N 0 3 344.987 2.091 20 5 EEBDHN Cc1noc(COC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853926753 1292532765 /nfs/dbraw/zinc/53/27/65/1292532765.db2.gz PQHXVFJTBQCFNI-CQSZACIVSA-N 0 3 345.355 2.457 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)ccc1F ZINC001215883062 1297009191 /nfs/dbraw/zinc/00/91/91/1297009191.db2.gz KCHJCUCROPNHES-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CNCc3ccccc32)[nH]1 ZINC001218485322 1297676884 /nfs/dbraw/zinc/67/68/84/1297676884.db2.gz HQOHBPPPRDXPIH-HNNXBMFYSA-N 0 3 338.323 2.467 20 5 EEBDHN CC1CCN(CC(=O)N(C)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001101740181 1299780189 /nfs/dbraw/zinc/78/01/89/1299780189.db2.gz XFAXCUCDUQBSJW-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccccc3[N+](=O)[O-])C[C@H]1N2C ZINC001222761315 1299836123 /nfs/dbraw/zinc/83/61/23/1299836123.db2.gz MXWUQJXJAAFTOA-DIECFANBSA-N 0 3 334.372 2.278 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001102017150 1300146020 /nfs/dbraw/zinc/14/60/20/1300146020.db2.gz HOHLKZMFQXUHLI-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=c1ccc2[n+]([O-])c3ccc(O[C@H]4CN5CCC4CC5)cc3oc-2c1 ZINC001227449138 1301832502 /nfs/dbraw/zinc/83/25/02/1301832502.db2.gz MJYWXXPEYOOVSZ-IBGZPJMESA-N 0 3 338.363 2.004 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103642793 1303181731 /nfs/dbraw/zinc/18/17/31/1303181731.db2.gz ZBWDVFLHHSSCBS-HDJSIYSDSA-N 0 3 349.435 2.171 20 5 EEBDHN Cc1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001123453907 1310577660 /nfs/dbraw/zinc/57/76/60/1310577660.db2.gz RDJZTZSBFTVTEH-OAHLLOKOSA-N 0 3 348.403 2.278 20 5 EEBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000829243740 1314492565 /nfs/dbraw/zinc/49/25/65/1314492565.db2.gz JUNUDGOECJGFLI-CYBMUJFWSA-N 0 3 346.431 2.408 20 5 EEBDHN O=C(Cc1cccs1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154194991 1316989565 /nfs/dbraw/zinc/98/95/65/1316989565.db2.gz MWIZRHMCNIGVJU-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN CC(C)SCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154796725 1317319778 /nfs/dbraw/zinc/31/97/78/1317319778.db2.gz REUAGMPJDBSBBB-UHFFFAOYSA-N 0 3 331.463 2.394 20 5 EEBDHN Cc1cccnc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156349720 1317973961 /nfs/dbraw/zinc/97/39/61/1317973961.db2.gz QXHZKAAIGKJJKO-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN COc1nccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254468276 1318081464 /nfs/dbraw/zinc/08/14/64/1318081464.db2.gz JHVRMOFNVBAGJJ-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@H](CO)C[C@H](F)C3)CC2)cc1 ZINC001254475236 1318082970 /nfs/dbraw/zinc/08/29/70/1318082970.db2.gz CUCHJLREJMCFKQ-KGLIPLIRSA-N 0 3 337.395 2.216 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)N(C)C)CC1 ZINC001254571376 1318126168 /nfs/dbraw/zinc/12/61/68/1318126168.db2.gz UBSXVCYTLCGTAQ-ZDUSSCGKSA-N 0 3 334.420 2.261 20 5 EEBDHN COc1ccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)n1 ZINC001254584580 1318132530 /nfs/dbraw/zinc/13/25/30/1318132530.db2.gz HVWPRGZEGMKQCX-AWEZNQCLSA-N 0 3 329.356 2.264 20 5 EEBDHN O=C(NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254597458 1318138782 /nfs/dbraw/zinc/13/87/82/1318138782.db2.gz DWZAXGISLTWMEL-KRWDZBQOSA-N 0 3 329.400 2.053 20 5 EEBDHN CCC(=O)N(C)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606096 1318142062 /nfs/dbraw/zinc/14/20/62/1318142062.db2.gz DOSOHKIJXWSDHF-QGZVFWFLSA-N 0 3 331.416 2.395 20 5 EEBDHN C[C@@H](N)c1ccn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)n1 ZINC001158357359 1319196546 /nfs/dbraw/zinc/19/65/46/1319196546.db2.gz ZOCBLGZQHDMXKQ-SECBINFHSA-N 0 3 328.307 2.396 20 5 EEBDHN CN1CCN(CCCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001161703998 1320594808 /nfs/dbraw/zinc/59/48/08/1320594808.db2.gz WDGBVCFCMRGSRC-UHFFFAOYSA-N 0 3 335.452 2.337 20 5 EEBDHN CCOc1ccc([C@@H](CO)Nc2cc3c(cc2[N+](=O)[O-])CNC3)cn1 ZINC001162993929 1321007683 /nfs/dbraw/zinc/00/76/83/1321007683.db2.gz BEHSMPQZUNJELR-OAHLLOKOSA-N 0 3 344.371 2.137 20 5 EEBDHN CN(C)/C=C\c1cc(N2CCN(C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165091437 1321453517 /nfs/dbraw/zinc/45/35/17/1321453517.db2.gz UKJCDHNIJNORFO-SREVYHEPSA-N 0 3 333.436 2.443 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319253467 1332671314 /nfs/dbraw/zinc/67/13/14/1332671314.db2.gz IGXDEKQNCVLJTF-MEDUHNTESA-N 0 3 330.388 2.103 20 5 EEBDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001326199412 1334042023 /nfs/dbraw/zinc/04/20/23/1334042023.db2.gz IWFBJXJGEFNYCI-INIZCTEOSA-N 0 3 335.404 2.055 20 5 EEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CCN1CC(C)(C)O ZINC001331599524 1335043738 /nfs/dbraw/zinc/04/37/38/1335043738.db2.gz DZXFRQCDFJDUFM-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC001333502970 1336059817 /nfs/dbraw/zinc/05/98/17/1336059817.db2.gz SSWCAWCOMQMJTR-QWHCGFSZSA-N 0 3 342.396 2.243 20 5 EEBDHN COc1ccc(COC[C@H](O)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001335674001 1336410825 /nfs/dbraw/zinc/41/08/25/1336410825.db2.gz QJMVTSWWECELAB-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccnc2N2CCCC2)cc1 ZINC001338462775 1336863931 /nfs/dbraw/zinc/86/39/31/1336863931.db2.gz SIHZAFBJARVZRD-QGZVFWFLSA-N 0 3 342.399 2.413 20 5 EEBDHN C[NH+](C)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968027 1344324784 /nfs/dbraw/zinc/32/47/84/1344324784.db2.gz CONRGIDLKZHJRW-KGLIPLIRSA-N 0 3 343.391 2.060 20 5 EEBDHN C[NH+](C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968027 1344324788 /nfs/dbraw/zinc/32/47/88/1344324788.db2.gz CONRGIDLKZHJRW-KGLIPLIRSA-N 0 3 343.391 2.060 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590260625 1349233811 /nfs/dbraw/zinc/23/38/11/1349233811.db2.gz QLMNXKIJBCOLEY-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590260625 1349233815 /nfs/dbraw/zinc/23/38/15/1349233815.db2.gz QLMNXKIJBCOLEY-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)C1CCN(C)CC1 ZINC000861890314 1369515680 /nfs/dbraw/zinc/51/56/80/1369515680.db2.gz HLAPPTMXLXDNSO-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001121699403 1371916485 /nfs/dbraw/zinc/91/64/85/1371916485.db2.gz JWAMDXQAPMDJNW-VXGBXAGGSA-N 0 3 348.407 2.385 20 5 EEBDHN CC(C)c1nnsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135620167 784067305 /nfs/dbraw/zinc/06/73/05/784067305.db2.gz MTKDSNPFSICULA-UHFFFAOYSA-N 0 3 349.416 2.089 20 5 EEBDHN COc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881167 789973681 /nfs/dbraw/zinc/97/36/81/789973681.db2.gz YTNGPQCSKLROCR-TVQRCGJNSA-N 0 3 335.291 2.188 20 5 EEBDHN CCCN(C)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089951063 795387304 /nfs/dbraw/zinc/38/73/04/795387304.db2.gz WRISTSRMVHMCQG-UHFFFAOYSA-N 0 3 349.435 2.030 20 5 EEBDHN Cc1nc(NCCNC(=O)C(C)(C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC001093888921 795767322 /nfs/dbraw/zinc/76/73/22/795767322.db2.gz HQNSFWLXQVWLNN-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001110266032 801085898 /nfs/dbraw/zinc/08/58/98/801085898.db2.gz IZLLUFNVFHUANL-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN COC(=O)[C@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330104 809894713 /nfs/dbraw/zinc/89/47/13/809894713.db2.gz YTAZASARYLFJAN-OCCSQVGLSA-N 0 3 336.388 2.419 20 5 EEBDHN O=C(CC1CC(F)(F)C1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130429845 811626995 /nfs/dbraw/zinc/62/69/95/811626995.db2.gz BDSORMOVABEBSZ-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN CCOC(=O)[C@@H]1C[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515770093 1118984375 /nfs/dbraw/zinc/98/43/75/1118984375.db2.gz XSQUAELCIQJNJG-LHMODEAPSA-N 0 3 339.319 2.274 20 5 EEBDHN NC(=O)c1cccc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000342702883 283385251 /nfs/dbraw/zinc/38/52/51/283385251.db2.gz IZRMGWYOZQMGFA-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN O=C(CCN1CCC(O)(C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000426255374 241248486 /nfs/dbraw/zinc/24/84/86/241248486.db2.gz YLBLLRIZYDJKQB-UHFFFAOYSA-N 0 3 343.330 2.015 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438280816 242001366 /nfs/dbraw/zinc/00/13/66/242001366.db2.gz IROPBGYDCWJOMW-LYASGUKUSA-N 0 3 333.432 2.385 20 5 EEBDHN CS[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451322587 243078027 /nfs/dbraw/zinc/07/80/27/243078027.db2.gz GDITUXJBZLPBCE-GFCCVEGCSA-N 0 3 337.401 2.330 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245612993 243137481 /nfs/dbraw/zinc/13/74/81/243137481.db2.gz CEJVRMOLBNWXOX-SJKOYZFVSA-N 0 3 344.415 2.417 20 5 EEBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600813 243174108 /nfs/dbraw/zinc/17/41/08/243174108.db2.gz SWDQUYJYFHEAHV-DYVFJYSZSA-N 0 3 337.420 2.412 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615594 243178929 /nfs/dbraw/zinc/17/89/29/243178929.db2.gz QCUVIHNHRBNADS-GUYCJALGSA-N 0 3 330.388 2.358 20 5 EEBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130609589 205247818 /nfs/dbraw/zinc/24/78/18/205247818.db2.gz AELZOTIDODXZKO-ZDUSSCGKSA-N 0 3 345.403 2.449 20 5 EEBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000264248871 246240439 /nfs/dbraw/zinc/24/04/39/246240439.db2.gz KOLXUHWSICOBEH-UHFFFAOYSA-N 0 3 339.417 2.031 20 5 EEBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174881931 207068180 /nfs/dbraw/zinc/06/81/80/207068180.db2.gz QMFLUNBPARKMLL-INIZCTEOSA-N 0 3 343.431 2.388 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271148313 256212874 /nfs/dbraw/zinc/21/28/74/256212874.db2.gz PWTABKNCCXSIDQ-LLVKDONJSA-N 0 3 330.406 2.079 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274288486 256371015 /nfs/dbraw/zinc/37/10/15/256371015.db2.gz LTROAPDYHRNTBO-DOMZBBRYSA-N 0 3 328.372 2.173 20 5 EEBDHN Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000346723874 292048841 /nfs/dbraw/zinc/04/88/41/292048841.db2.gz VLANWPMXUBDEOM-HNNXBMFYSA-N 0 3 335.404 2.086 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000189078358 285968182 /nfs/dbraw/zinc/96/81/82/285968182.db2.gz AWOOBLSIXNQTIM-CYBMUJFWSA-N 0 3 348.403 2.231 20 5 EEBDHN COC(=O)CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000078728201 292193185 /nfs/dbraw/zinc/19/31/85/292193185.db2.gz IOBZSXWJDZLAPS-MRXNPFEDSA-N 0 3 336.388 2.181 20 5 EEBDHN CCN1CCC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000122649807 292274979 /nfs/dbraw/zinc/27/49/79/292274979.db2.gz GQHNMLNLUGGOAU-OAHLLOKOSA-N 0 3 332.404 2.147 20 5 EEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000246242782 160270263 /nfs/dbraw/zinc/27/02/63/160270263.db2.gz IAQGNXMPNZQOBL-DOTOQJQBSA-N 0 3 330.388 2.371 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343542644 161144990 /nfs/dbraw/zinc/14/49/90/161144990.db2.gz YPXWIFXJRPACNT-WFASDCNBSA-N 0 3 330.388 2.148 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346125773 161359385 /nfs/dbraw/zinc/35/93/85/161359385.db2.gz AMGLXLREIXQGNA-NEPJUHHUSA-N 0 3 337.424 2.263 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])s1 ZINC000355352197 163156962 /nfs/dbraw/zinc/15/69/62/163156962.db2.gz ZXYXOUXFRQXNTP-CYBMUJFWSA-N 0 3 347.396 2.475 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccco2)C1 ZINC000364640115 165216803 /nfs/dbraw/zinc/21/68/03/165216803.db2.gz AYUGQUBWKRITLC-KGLIPLIRSA-N 0 3 332.356 2.417 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000370045990 166383952 /nfs/dbraw/zinc/38/39/52/166383952.db2.gz PAYRBMSHMKLJHS-HNNXBMFYSA-N 0 3 343.431 2.425 20 5 EEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280656283 269382820 /nfs/dbraw/zinc/38/28/20/269382820.db2.gz ZODRLKYIBKMQCB-SJORKVTESA-N 0 3 343.383 2.177 20 5 EEBDHN CN1CC=C(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000271864606 274160872 /nfs/dbraw/zinc/16/08/72/274160872.db2.gz AXIKRNDPAGCRTF-UHFFFAOYSA-N 0 3 344.415 2.187 20 5 EEBDHN COc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277548774 274307774 /nfs/dbraw/zinc/30/77/74/274307774.db2.gz NZOGMPCNZPGSMS-CQSZACIVSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000278728837 274395265 /nfs/dbraw/zinc/39/52/65/274395265.db2.gz SEYQVIJDOADCBU-LBPRGKRZSA-N 0 3 325.434 2.341 20 5 EEBDHN Cc1cc(N2C[C@@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728911 274713024 /nfs/dbraw/zinc/71/30/24/274713024.db2.gz RNHQZIMXLLWGPR-QWHCGFSZSA-N 0 3 333.310 2.033 20 5 EEBDHN CC(C)(CO)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000291023056 275261967 /nfs/dbraw/zinc/26/19/67/275261967.db2.gz XWPINFIKMXNJJL-MRXNPFEDSA-N 0 3 336.388 2.348 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491530426 289141221 /nfs/dbraw/zinc/14/12/21/289141221.db2.gz BBGYTTRJCFFTBM-XZVRFQMRSA-N 0 3 347.415 2.177 20 5 EEBDHN CCc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000299461827 294748117 /nfs/dbraw/zinc/74/81/17/294748117.db2.gz ZDPWWUSWZUJFJS-CQSZACIVSA-N 0 3 345.403 2.221 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421004630 314021454 /nfs/dbraw/zinc/02/14/54/314021454.db2.gz OKKHSYOOOWSONX-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN CN(C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000439135946 315069926 /nfs/dbraw/zinc/06/99/26/315069926.db2.gz WONNUHNGGSEMFZ-GFCCVEGCSA-N 0 3 334.401 2.470 20 5 EEBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000441376044 315184034 /nfs/dbraw/zinc/18/40/34/315184034.db2.gz IZOMSUHBDFYLPG-OCCSQVGLSA-N 0 3 349.387 2.392 20 5 EEBDHN CCN(CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000444170367 315278851 /nfs/dbraw/zinc/27/88/51/315278851.db2.gz TVDHSXMMGTUVPG-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C ZINC000451880890 315463545 /nfs/dbraw/zinc/46/35/45/315463545.db2.gz ALWYJOINGFAVKZ-UHFFFAOYSA-N 0 3 343.449 2.302 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194377 318206803 /nfs/dbraw/zinc/20/68/03/318206803.db2.gz USEGHKHIGNGBAY-CJNGLKHVSA-N 0 3 342.399 2.184 20 5 EEBDHN C[C@@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312884 318587951 /nfs/dbraw/zinc/58/79/51/318587951.db2.gz GWXRKGOLWCIJBD-WBMJQRKESA-N 0 3 337.445 2.252 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCC2(F)F)cc1 ZINC000566119823 319247869 /nfs/dbraw/zinc/24/78/69/319247869.db2.gz FINLQHMGPDQJNJ-NSHDSACASA-N 0 3 348.371 2.394 20 5 EEBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(Cc2ccccc2)C1 ZINC000566312557 319273945 /nfs/dbraw/zinc/27/39/45/319273945.db2.gz ODWZSTBEFAYMJP-QGZVFWFLSA-N 0 3 328.372 2.317 20 5 EEBDHN CNc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000568998778 319537765 /nfs/dbraw/zinc/53/77/65/319537765.db2.gz BRSBTYRLQXPGAF-LSDHHAIUSA-N 0 3 340.383 2.203 20 5 EEBDHN CSc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000194681677 323502347 /nfs/dbraw/zinc/50/23/47/323502347.db2.gz PXEZZUDVBIJYRC-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN CS(=O)(=O)CC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580903736 324150777 /nfs/dbraw/zinc/15/07/77/324150777.db2.gz XAOITWWPDKGBMA-AWEZNQCLSA-N 0 3 338.429 2.387 20 5 EEBDHN CCSc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581544339 324275993 /nfs/dbraw/zinc/27/59/93/324275993.db2.gz ZCIMMFQTSXOIGQ-CQSZACIVSA-N 0 3 336.417 2.054 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296289151 465145228 /nfs/dbraw/zinc/14/52/28/465145228.db2.gz OZVWWIHENMEEQH-APHBMKBZSA-N 0 3 333.388 2.245 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000339421756 465259777 /nfs/dbraw/zinc/25/97/77/465259777.db2.gz PDPNEOCNQDUOBJ-LBPRGKRZSA-N 0 3 344.350 2.467 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000337236992 465260792 /nfs/dbraw/zinc/26/07/92/465260792.db2.gz BZYZYPMKYASISA-UHFFFAOYSA-N 0 3 342.399 2.123 20 5 EEBDHN Nc1ccc(NC[C@H](c2cccs2)N2CCCC2)nc1[N+](=O)[O-] ZINC000590569971 468274944 /nfs/dbraw/zinc/27/49/44/468274944.db2.gz SLBULWYYDKPBDC-GFCCVEGCSA-N 0 3 333.417 2.883 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153433647 462649865 /nfs/dbraw/zinc/64/98/65/462649865.db2.gz OQWPVKDGIBFKJG-CYBMUJFWSA-N 0 3 340.383 2.357 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046379275 462675431 /nfs/dbraw/zinc/67/54/31/462675431.db2.gz MCJJHPBFTGYHCN-CQSZACIVSA-N 0 3 334.420 2.468 20 5 EEBDHN Cc1cnc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643964 462703433 /nfs/dbraw/zinc/70/34/33/462703433.db2.gz MRLXZWXGTSTNHQ-HOTGVXAUSA-N 0 3 342.399 2.346 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000115443557 462714778 /nfs/dbraw/zinc/71/47/78/462714778.db2.gz NCBCMKCIVORXPU-AWEZNQCLSA-N 0 3 334.420 2.197 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Cc2ccccc2)C1 ZINC000090550546 462797896 /nfs/dbraw/zinc/79/78/96/462797896.db2.gz KOIUSUAVYSWEBW-MRXNPFEDSA-N 0 3 327.384 2.321 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133514839 462940397 /nfs/dbraw/zinc/94/03/97/462940397.db2.gz LHYDLEBOCGWBNR-MNOVXSKESA-N 0 3 334.376 2.204 20 5 EEBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151792461 463591414 /nfs/dbraw/zinc/59/14/14/463591414.db2.gz SIGKZZNOWXVWFE-LLVKDONJSA-N 0 3 337.376 2.019 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000286853137 463724212 /nfs/dbraw/zinc/72/42/12/463724212.db2.gz BIQAHNUQCTUPOO-ZDUSSCGKSA-N 0 3 334.420 2.265 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009291 463732555 /nfs/dbraw/zinc/73/25/55/463732555.db2.gz RUBWNDVUTPLQFH-NSHDSACASA-N 0 3 337.767 2.004 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009291 463732559 /nfs/dbraw/zinc/73/25/59/463732559.db2.gz RUBWNDVUTPLQFH-NSHDSACASA-N 0 3 337.767 2.004 20 5 EEBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000171125469 463792482 /nfs/dbraw/zinc/79/24/82/463792482.db2.gz LUUDJEMOFFGYGC-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000287565585 463929939 /nfs/dbraw/zinc/92/99/39/463929939.db2.gz QJNJJVNGMBWIAO-JSGCOSHPSA-N 0 3 343.387 2.101 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271761743 464374722 /nfs/dbraw/zinc/37/47/22/464374722.db2.gz GXHUFPPEMSOWKB-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000237779526 464378146 /nfs/dbraw/zinc/37/81/46/464378146.db2.gz WMELZLYXPFUKNQ-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000281469819 464466765 /nfs/dbraw/zinc/46/67/65/464466765.db2.gz GFRZZWPMFVKCDP-OAHLLOKOSA-N 0 3 349.431 2.472 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272293753 464552167 /nfs/dbraw/zinc/55/21/67/464552167.db2.gz BVSZEYUSXRNRRS-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN COC(=O)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182227802 464605288 /nfs/dbraw/zinc/60/52/88/464605288.db2.gz YVXZLMSSZBQZHY-UHFFFAOYSA-N 0 3 332.303 2.485 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593882449 468418973 /nfs/dbraw/zinc/41/89/73/468418973.db2.gz HOINAQWDDISQRJ-UHFFFAOYSA-N 0 3 344.415 2.494 20 5 EEBDHN CC(C)CO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248471389 464756340 /nfs/dbraw/zinc/75/63/40/464756340.db2.gz VQJSBGGDEYSAQY-CABCVRRESA-N 0 3 338.404 2.081 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295416682 464823870 /nfs/dbraw/zinc/82/38/70/464823870.db2.gz UUMQWALNTZSDPR-SFHVURJKSA-N 0 3 345.399 2.112 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286297109 464872448 /nfs/dbraw/zinc/87/24/48/464872448.db2.gz DGQXSPRZFMLGHB-AWEZNQCLSA-N 0 3 335.404 2.484 20 5 EEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@H](O)C2)s1 ZINC000192526180 464941375 /nfs/dbraw/zinc/94/13/75/464941375.db2.gz LYYYQDMZLIVLDK-ZDUSSCGKSA-N 0 3 334.401 2.230 20 5 EEBDHN CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337458675 465381509 /nfs/dbraw/zinc/38/15/09/465381509.db2.gz JFDYWZINBCRWSA-MRXNPFEDSA-N 0 3 334.420 2.195 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@@H](C)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000339627245 465399623 /nfs/dbraw/zinc/39/96/23/465399623.db2.gz IPVCJVSFYXAIDU-CHWSQXEVSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000359810312 465492731 /nfs/dbraw/zinc/49/27/31/465492731.db2.gz OWZJBJXCKVDIRF-SWLSCSKDSA-N 0 3 328.372 2.316 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360468004 465571750 /nfs/dbraw/zinc/57/17/50/465571750.db2.gz ILFLCRDOMULEHM-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299093801 465598759 /nfs/dbraw/zinc/59/87/59/465598759.db2.gz NSYQNCIMSMSOJT-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN CC(C)[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CCN1C ZINC000337928597 465687269 /nfs/dbraw/zinc/68/72/69/465687269.db2.gz RBNFKMSUQNLKCU-OAHLLOKOSA-N 0 3 344.419 2.167 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000344675509 465772541 /nfs/dbraw/zinc/77/25/41/465772541.db2.gz SDUIRXNZXAGJHN-OAHLLOKOSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252836 466032035 /nfs/dbraw/zinc/03/20/35/466032035.db2.gz ZGPLTZLGOAEJLU-XJKCOSOUSA-N 0 3 347.415 2.406 20 5 EEBDHN CN(C)C1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000353671165 466056329 /nfs/dbraw/zinc/05/63/29/466056329.db2.gz NDKPNKHHOITECQ-INIZCTEOSA-N 0 3 343.431 2.492 20 5 EEBDHN Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000302070261 466092465 /nfs/dbraw/zinc/09/24/65/466092465.db2.gz YCKJVZIPXKXWHU-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EEBDHN CN(C)CCc1ccccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354227759 466399308 /nfs/dbraw/zinc/39/93/08/466399308.db2.gz MHGXBFSPCUJUOL-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332313125 466504360 /nfs/dbraw/zinc/50/43/60/466504360.db2.gz IGBBEQDZNFECHG-NWDGAFQWSA-N 0 3 328.372 2.356 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](C)CCN2)c([N+](=O)[O-])c1 ZINC000423241497 466702824 /nfs/dbraw/zinc/70/28/24/466702824.db2.gz YACCGIDHCBMLTD-ZFWWWQNUSA-N 0 3 334.420 2.210 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccn(C2CCN(C)CC2)n1 ZINC000373260990 466746055 /nfs/dbraw/zinc/74/60/55/466746055.db2.gz NJIZMWFUZXKKGY-UHFFFAOYSA-N 0 3 329.404 2.979 20 5 EEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000419008787 467161490 /nfs/dbraw/zinc/16/14/90/467161490.db2.gz MASABBZFXHHPSH-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EEBDHN C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000413110190 467171681 /nfs/dbraw/zinc/17/16/81/467171681.db2.gz HGVGVEASWIXZHN-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397483 467290140 /nfs/dbraw/zinc/29/01/40/467290140.db2.gz OZFOBBJYVPALAY-UONOGXRCSA-N 0 3 347.415 2.332 20 5 EEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420635257 467438929 /nfs/dbraw/zinc/43/89/29/467438929.db2.gz LVJONJKSVATOTR-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CCC[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116540 467455822 /nfs/dbraw/zinc/45/58/22/467455822.db2.gz IRZIZKBSONOUAL-UKRRQHHQSA-N 0 3 341.433 2.060 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457102177 467753381 /nfs/dbraw/zinc/75/33/81/467753381.db2.gz ZOWZVYBKFGQNMJ-MRXNPFEDSA-N 0 3 347.415 2.499 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCN1C ZINC000450789390 467908395 /nfs/dbraw/zinc/90/83/95/467908395.db2.gz GJXWYVOOLJNDDC-BXUZGUMPSA-N 0 3 343.387 2.197 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486925053 468013268 /nfs/dbraw/zinc/01/32/68/468013268.db2.gz FEWIKJZYSNKGFY-GFCCVEGCSA-N 0 3 331.376 2.423 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076000 468070608 /nfs/dbraw/zinc/07/06/08/468070608.db2.gz MCBNNUPUAHTQQI-ZDUSSCGKSA-N 0 3 330.388 2.300 20 5 EEBDHN CNC(=O)c1ccc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753700 468102086 /nfs/dbraw/zinc/10/20/86/468102086.db2.gz NDNVWQJDFRWZQK-WOSRLPQWSA-N 0 3 346.431 2.121 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594420428 468579299 /nfs/dbraw/zinc/57/92/99/468579299.db2.gz TUYFNDSAPFPLDG-LSDHHAIUSA-N 0 3 332.404 2.140 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC2(CCO2)CC1 ZINC000558626997 468694185 /nfs/dbraw/zinc/69/41/85/468694185.db2.gz MKQNBEPCLAEWNE-UHFFFAOYSA-N 0 3 347.371 2.148 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601144299 468759234 /nfs/dbraw/zinc/75/92/34/468759234.db2.gz ILXDUFOJSPFEJQ-CQSZACIVSA-N 0 3 343.431 2.003 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000593459421 468990228 /nfs/dbraw/zinc/99/02/28/468990228.db2.gz PFYTWCJRXPGNRK-HNNXBMFYSA-N 0 3 335.379 2.363 20 5 EEBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1=CCSC1 ZINC000595888470 469064844 /nfs/dbraw/zinc/06/48/44/469064844.db2.gz MXCKECPSQLOPID-UHFFFAOYSA-N 0 3 349.412 2.498 20 5 EEBDHN CC[C@@H](O)CN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602795201 469080260 /nfs/dbraw/zinc/08/02/60/469080260.db2.gz GFSBMJQSFLSWJT-MRXNPFEDSA-N 0 3 332.404 2.373 20 5 EEBDHN CN(CCN1CCCCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000593757368 469126037 /nfs/dbraw/zinc/12/60/37/469126037.db2.gz RRLAMGYQMGQAMJ-UHFFFAOYSA-N 0 3 344.419 2.312 20 5 EEBDHN CCSC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000596065805 469135851 /nfs/dbraw/zinc/13/58/51/469135851.db2.gz MVFTZTWNPZNPCW-UHFFFAOYSA-N 0 3 344.458 2.244 20 5 EEBDHN O=c1[n-]ccc(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596251134 469221661 /nfs/dbraw/zinc/22/16/61/469221661.db2.gz OLQNALLHDIGBHH-UHFFFAOYSA-N 0 3 328.372 2.454 20 5 EEBDHN COCCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599505953 469279248 /nfs/dbraw/zinc/27/92/48/469279248.db2.gz FKQUYBXGUOSHIX-OAHLLOKOSA-N 0 3 338.404 2.083 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCn2cc(CCN3CCCCC3)nn2)c1 ZINC000603201108 469307833 /nfs/dbraw/zinc/30/78/33/469307833.db2.gz NEBYFSFGLSHDSB-UHFFFAOYSA-N 0 3 345.403 2.294 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCc2c1cnn2CCO ZINC000608836705 469882969 /nfs/dbraw/zinc/88/29/69/469882969.db2.gz GFSVZGFOVHIJIF-NBUZRDOWSA-N 0 3 342.399 2.464 20 5 EEBDHN CN(C)C[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609175140 469899522 /nfs/dbraw/zinc/89/95/22/469899522.db2.gz CIFDOTSQPHKXNO-CQSZACIVSA-N 0 3 335.404 2.306 20 5 EEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](N2CCCC2)C1 ZINC000609346097 469921657 /nfs/dbraw/zinc/92/16/57/469921657.db2.gz LYXOXGSAPDLBRA-GFCCVEGCSA-N 0 3 347.371 2.024 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609476840 469931121 /nfs/dbraw/zinc/93/11/21/469931121.db2.gz GNUKZZRBRTYGRE-UHFFFAOYSA-N 0 3 337.424 2.217 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609476840 469931124 /nfs/dbraw/zinc/93/11/24/469931124.db2.gz GNUKZZRBRTYGRE-UHFFFAOYSA-N 0 3 337.424 2.217 20 5 EEBDHN CCN(CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)o1 ZINC000618418161 469986557 /nfs/dbraw/zinc/98/65/57/469986557.db2.gz UNIJUDROLIGXAF-UHFFFAOYSA-N 0 3 346.347 2.480 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](C(C)C)N2CCCC2)c([N+](=O)[O-])c1 ZINC000190166160 534306952 /nfs/dbraw/zinc/30/69/52/534306952.db2.gz SDTPJQXDFDGNIE-AWEZNQCLSA-N 0 3 336.392 2.309 20 5 EEBDHN CC(C)c1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000189839699 528069633 /nfs/dbraw/zinc/06/96/33/528069633.db2.gz WOYUOWKHUILXMJ-UHFFFAOYSA-N 0 3 349.431 2.295 20 5 EEBDHN CCOC(=O)N1CCC(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236881968 535770305 /nfs/dbraw/zinc/77/03/05/535770305.db2.gz NJXJSZUBZIBKIZ-UHFFFAOYSA-N 0 3 337.376 2.314 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733165744 577206177 /nfs/dbraw/zinc/20/61/77/577206177.db2.gz LLPNHHOQSLTZGE-MRXNPFEDSA-N 0 3 345.403 2.097 20 5 EEBDHN COc1cc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000776582186 577463288 /nfs/dbraw/zinc/46/32/88/577463288.db2.gz LOUGNOPPQMKMSV-MRXNPFEDSA-N 0 3 332.356 2.474 20 5 EEBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596476 577463929 /nfs/dbraw/zinc/46/39/29/577463929.db2.gz FBVPIQYHKFWAGZ-AWEZNQCLSA-N 0 3 337.420 2.159 20 5 EEBDHN C[S@](=O)C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159355 577801455 /nfs/dbraw/zinc/80/14/55/577801455.db2.gz MFGGIESSBBRGFM-SRGWNRLKSA-N 0 3 348.424 2.338 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638872 577979385 /nfs/dbraw/zinc/97/93/85/577979385.db2.gz LZHXMKBOCLDCBI-MJGOQNOKSA-N 0 3 341.411 2.492 20 5 EEBDHN CCc1cc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)no1 ZINC001020947178 675599012 /nfs/dbraw/zinc/59/90/12/675599012.db2.gz QLDMMRVVYJWXON-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000891814457 676843244 /nfs/dbraw/zinc/84/32/44/676843244.db2.gz FGQCDLGPHHLXDE-AWEZNQCLSA-N 0 3 336.392 2.054 20 5 EEBDHN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330356 684505893 /nfs/dbraw/zinc/50/58/93/684505893.db2.gz LKEHNOQEQURIHV-YOEHRIQHSA-N 0 3 332.356 2.172 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000897238236 686305147 /nfs/dbraw/zinc/30/51/47/686305147.db2.gz WJDFSVDFKOVWAW-KGLIPLIRSA-N 0 3 337.445 2.329 20 5 EEBDHN O=C(CN1C[C@@H]2CC=CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879528860 1201126371 /nfs/dbraw/zinc/12/63/71/1201126371.db2.gz DIGWVWBFAFHDNL-GASCZTMLSA-N 0 3 327.384 2.382 20 5 EEBDHN C[C@@](O)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000886026409 1202463946 /nfs/dbraw/zinc/46/39/46/1202463946.db2.gz WBRSYHDSEYWAQJ-OAHLLOKOSA-N 0 3 330.331 2.454 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001095418275 1205721780 /nfs/dbraw/zinc/72/17/80/1205721780.db2.gz BSNDGPRXNLCVQA-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2cccc(C)c2)C1 ZINC000950056197 1210001411 /nfs/dbraw/zinc/00/14/11/1210001411.db2.gz WVSASKQAYVJWJB-QZTJIDSGSA-N 0 3 345.443 2.126 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114780475 1215274222 /nfs/dbraw/zinc/27/42/22/1215274222.db2.gz HAWHKVJLEWEUGG-CTYIDZIISA-N 0 3 334.420 2.243 20 5 EEBDHN O=C(N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1)C1(CF)CC1 ZINC001049048994 1239854407 /nfs/dbraw/zinc/85/44/07/1239854407.db2.gz PUPXRUKPZFBBKW-GASCZTMLSA-N 0 3 347.390 2.235 20 5 EEBDHN CSCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233672108 1304553194 /nfs/dbraw/zinc/55/31/94/1304553194.db2.gz ULVRLSMYKBATFN-UHFFFAOYSA-N 0 3 325.434 2.286 20 5 EEBDHN CCOc1cc(NCC(C)(C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001116452282 1305885219 /nfs/dbraw/zinc/88/52/19/1305885219.db2.gz PMELECHBMUVKCU-UHFFFAOYSA-N 0 3 336.436 2.431 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCNC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986573 1310490418 /nfs/dbraw/zinc/49/04/18/1310490418.db2.gz FCANFKYGROWFGG-QMTHXVAHSA-N 0 3 347.337 2.371 20 5 EEBDHN CCNC(=O)OC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607657 1318142533 /nfs/dbraw/zinc/14/25/33/1318142533.db2.gz LQUQFFNJPUFMPM-HNNXBMFYSA-N 0 3 333.388 2.273 20 5 EEBDHN CN1CCN(CCCNc2ncc(F)c3cc([N+](=O)[O-])ccc32)CC1 ZINC001161703932 1320593680 /nfs/dbraw/zinc/59/36/80/1320593680.db2.gz SENJAHQAHGHAFR-UHFFFAOYSA-N 0 3 347.394 2.332 20 5 EEBDHN COCCCN1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165097517 1321454328 /nfs/dbraw/zinc/45/43/28/1321454328.db2.gz KLKAITQYZGIAFM-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201570 1322443340 /nfs/dbraw/zinc/44/33/40/1322443340.db2.gz IDTAILHYRSUZGJ-HZSPNIEDSA-N 0 3 346.431 2.406 20 5 EEBDHN C[NH+]1CCN(c2cncc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001210395892 1325264600 /nfs/dbraw/zinc/26/46/00/1325264600.db2.gz ICJVTGHAJZNOFV-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN CC[NH+](CC)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309965120 1331649902 /nfs/dbraw/zinc/64/99/02/1331649902.db2.gz HTOPDVHHKLPUHB-LLVKDONJSA-N 0 3 347.412 2.133 20 5 EEBDHN C[C@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000847958684 1338402718 /nfs/dbraw/zinc/40/27/18/1338402718.db2.gz MWYUUMUFHBTCBZ-LLVKDONJSA-N 0 3 336.344 2.355 20 5 EEBDHN C[C@H]1CCC[N@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261977 1349237274 /nfs/dbraw/zinc/23/72/74/1349237274.db2.gz RVFAPPPKPGPTRI-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@H]1CCC[N@@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261977 1349237277 /nfs/dbraw/zinc/23/72/77/1349237277.db2.gz RVFAPPPKPGPTRI-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260759 1349237635 /nfs/dbraw/zinc/23/76/35/1349237635.db2.gz RVCAGJCTDYFNAB-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260759 1349237638 /nfs/dbraw/zinc/23/76/38/1349237638.db2.gz RVCAGJCTDYFNAB-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260759 1349237640 /nfs/dbraw/zinc/23/76/40/1349237640.db2.gz RVCAGJCTDYFNAB-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260759 1349237644 /nfs/dbraw/zinc/23/76/44/1349237644.db2.gz RVCAGJCTDYFNAB-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN COCC1(C)CC[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591386631 1349477424 /nfs/dbraw/zinc/47/74/24/1349477424.db2.gz SNCSIYWXVONGMW-UHFFFAOYSA-N 0 3 346.391 2.023 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552317 1350718828 /nfs/dbraw/zinc/71/88/28/1350718828.db2.gz XGEVRLCYDDMLLU-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552317 1350718831 /nfs/dbraw/zinc/71/88/31/1350718831.db2.gz XGEVRLCYDDMLLU-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823925472 1368096003 /nfs/dbraw/zinc/09/60/03/1368096003.db2.gz XZLBOXVNZIOCJY-KRWDZBQOSA-N 0 3 343.383 2.006 20 5 EEBDHN CN(C)C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000832024959 1372407431 /nfs/dbraw/zinc/40/74/31/1372407431.db2.gz GXTALQADVLPCSL-AWEZNQCLSA-N 0 3 325.384 2.380 20 5 EEBDHN CCCN(C)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091470776 790931441 /nfs/dbraw/zinc/93/14/41/790931441.db2.gz DRDDIVARXADVFO-CTYIDZIISA-N 0 3 334.420 2.243 20 5 EEBDHN CCNC(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818959785 785344391 /nfs/dbraw/zinc/34/43/91/785344391.db2.gz SZSSVLSEWHBVJK-QGZVFWFLSA-N 0 3 343.383 2.168 20 5 EEBDHN CC([C@@H](OC(=O)CCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879619 789972437 /nfs/dbraw/zinc/97/24/37/789972437.db2.gz YFLZKRLARBKTMT-SJKOYZFVSA-N 0 3 348.330 2.327 20 5 EEBDHN Cc1nn(C)cc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878640 789972676 /nfs/dbraw/zinc/97/26/76/789972676.db2.gz HXLXXMXBZHHJKN-BDJLRTHQSA-N 0 3 335.335 2.360 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2c([nH]1)CCCC2 ZINC001146889841 791562899 /nfs/dbraw/zinc/56/28/99/791562899.db2.gz MMDXOESKPNPJBV-UHFFFAOYSA-N 0 3 342.399 2.321 20 5 EEBDHN Cc1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC001147300802 791774205 /nfs/dbraw/zinc/77/42/05/791774205.db2.gz DFDSUXIGPASFOP-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN COC(=O)CCN(C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193150 797282977 /nfs/dbraw/zinc/28/29/77/797282977.db2.gz QUHCYYUFOWTKOX-JTQLQIEISA-N 0 3 328.340 2.168 20 5 EEBDHN CCN(CC)CC(=O)N1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095180931 797491977 /nfs/dbraw/zinc/49/19/77/797491977.db2.gz MEWVRYONBYRMLJ-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN CC[C@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000922589178 801428940 /nfs/dbraw/zinc/42/89/40/801428940.db2.gz IEXBMBVHEUWUAK-CYBMUJFWSA-N 0 3 327.812 2.449 20 5 EEBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nc1C ZINC001131389122 812776135 /nfs/dbraw/zinc/77/61/35/812776135.db2.gz POXRTYCNTHDHMA-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2ncccc2o1 ZINC001131443264 812835738 /nfs/dbraw/zinc/83/57/38/812835738.db2.gz JVLDNBQZWTYVQC-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180908782 234027613 /nfs/dbraw/zinc/02/76/13/234027613.db2.gz KPDYWFIGWFDFCG-VXGBXAGGSA-N 0 3 349.387 2.174 20 5 EEBDHN Cc1c(Br)c(N2C[C@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000252881187 291482845 /nfs/dbraw/zinc/48/28/45/291482845.db2.gz YPNKVQXGGCASTB-JGVFFNPUSA-N 0 3 329.198 2.247 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760343 245240549 /nfs/dbraw/zinc/24/05/49/245240549.db2.gz MHPZZEYFQRIMEY-HZPDHXFCSA-N 0 3 345.399 2.031 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459789612 245248164 /nfs/dbraw/zinc/24/81/64/245248164.db2.gz RPQQHIRDHFHBRD-OUAUKWLOSA-N 0 3 333.344 2.040 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000103452427 204079649 /nfs/dbraw/zinc/07/96/49/204079649.db2.gz BIQLYZZZLHNPTH-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN CCN1CCN([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000107371560 204235234 /nfs/dbraw/zinc/23/52/34/204235234.db2.gz KBUVVBKWIJKNLO-KRWDZBQOSA-N 0 3 332.448 2.115 20 5 EEBDHN Cc1nn(C)c(NCCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000264169347 246131743 /nfs/dbraw/zinc/13/17/43/246131743.db2.gz WJFABOQCJMYHSM-UHFFFAOYSA-N 0 3 347.419 2.232 20 5 EEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000491796740 246156737 /nfs/dbraw/zinc/15/67/37/246156737.db2.gz NITWIOKCQBZELS-OICCZTGUSA-N 0 3 333.363 2.300 20 5 EEBDHN O=C([C@@H]1CCCCN1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160914840 206318432 /nfs/dbraw/zinc/31/84/32/206318432.db2.gz AVZBVHLJZXKTTL-INIZCTEOSA-N 0 3 333.388 2.107 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](CN2CCOCC2)C1 ZINC000093664076 285160296 /nfs/dbraw/zinc/16/02/96/285160296.db2.gz GHOZQYHWDLAGPK-WMHVBEDNSA-N 0 3 331.416 2.262 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178147539 255901679 /nfs/dbraw/zinc/90/16/79/255901679.db2.gz CTZRRNYEXJLRLO-OAHLLOKOSA-N 0 3 328.372 2.210 20 5 EEBDHN C[C@@H]1CN(CCN(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000195304074 256009746 /nfs/dbraw/zinc/00/97/46/256009746.db2.gz QRTSOBPOARMJHG-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1Cc1ccccc1 ZINC000268126611 256116035 /nfs/dbraw/zinc/11/60/35/256116035.db2.gz DABPIYCOYSCYAO-JSGCOSHPSA-N 0 3 328.372 2.316 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC000271178220 256216465 /nfs/dbraw/zinc/21/64/65/256216465.db2.gz VINSCBZYVUYYNU-LLVKDONJSA-N 0 3 332.447 2.100 20 5 EEBDHN Cc1nc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273242740 256279862 /nfs/dbraw/zinc/27/98/62/256279862.db2.gz UAFWGXVAICYXER-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191856272 533429978 /nfs/dbraw/zinc/42/99/78/533429978.db2.gz XKPKQKNQYDGRSU-STQMWFEESA-N 0 3 349.387 2.054 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000246512831 286381264 /nfs/dbraw/zinc/38/12/64/286381264.db2.gz QPHKCFWDULSQKY-SWLSCSKDSA-N 0 3 333.388 2.160 20 5 EEBDHN COc1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236723 154100100 /nfs/dbraw/zinc/10/01/00/154100100.db2.gz GHJGLRAQMLNAJI-OLZOCXBDSA-N 0 3 336.388 2.470 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083025865 159160772 /nfs/dbraw/zinc/16/07/72/159160772.db2.gz BTSYEARPGGDSDU-OKILXGFUSA-N 0 3 335.404 2.214 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000104186116 159283900 /nfs/dbraw/zinc/28/39/00/159283900.db2.gz QEQJRESQOYZIHQ-LLVKDONJSA-N 0 3 346.412 2.400 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2cccnc2)cc([N+](=O)[O-])c1 ZINC000120909394 159396789 /nfs/dbraw/zinc/39/67/89/159396789.db2.gz NVHFDPOKQLTAPA-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1cccc(C(=O)Nc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000343057146 161098971 /nfs/dbraw/zinc/09/89/71/161098971.db2.gz QWOXUBAQDXTYOS-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000344233933 161209721 /nfs/dbraw/zinc/20/97/21/161209721.db2.gz CXONQUVLIWAMLF-WBMJQRKESA-N 0 3 332.404 2.145 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000345063814 161268626 /nfs/dbraw/zinc/26/86/26/161268626.db2.gz VSLFHMLTACGXTL-UHFFFAOYSA-N 0 3 334.376 2.039 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000352868764 162321128 /nfs/dbraw/zinc/32/11/28/162321128.db2.gz DLZCKCSKFZQPAU-QWHCGFSZSA-N 0 3 341.433 2.088 20 5 EEBDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702438 298655243 /nfs/dbraw/zinc/65/52/43/298655243.db2.gz GOQYSHNTQBNZIW-RWMBFGLXSA-N 0 3 334.420 2.273 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccco2)C1 ZINC000364640117 165217776 /nfs/dbraw/zinc/21/77/76/165217776.db2.gz AYUGQUBWKRITLC-ZIAGYGMSSA-N 0 3 332.356 2.417 20 5 EEBDHN CN1CCN(CC2(C)CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000368835719 166135651 /nfs/dbraw/zinc/13/56/51/166135651.db2.gz UJHUQWHIUDPQQP-UHFFFAOYSA-N 0 3 346.475 2.444 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374004083 167001906 /nfs/dbraw/zinc/00/19/06/167001906.db2.gz UXXDMOZFQPBCFB-UKRRQHHQSA-N 0 3 332.356 2.417 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000278021386 269207653 /nfs/dbraw/zinc/20/76/53/269207653.db2.gz FKYQKLCHDPKCDZ-HNNXBMFYSA-N 0 3 332.404 2.411 20 5 EEBDHN COc1ccc(CN2CCN(C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278705257 269241566 /nfs/dbraw/zinc/24/15/66/269241566.db2.gz QQGLSCPKNSTDTH-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000107601123 275011146 /nfs/dbraw/zinc/01/11/46/275011146.db2.gz PJIYVMDGVSTHAB-ZDUSSCGKSA-N 0 3 348.359 2.203 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673785 275328754 /nfs/dbraw/zinc/32/87/54/275328754.db2.gz QIIWXFUTIBHFLS-SUMWQHHRSA-N 0 3 332.404 2.393 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354919205 278238050 /nfs/dbraw/zinc/23/80/50/278238050.db2.gz MGNLQOGPKYEZKI-JTQLQIEISA-N 0 3 328.800 2.040 20 5 EEBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000264298247 280187269 /nfs/dbraw/zinc/18/72/69/280187269.db2.gz YHSLAIJMWYZZQZ-UHFFFAOYSA-N 0 3 337.424 2.210 20 5 EEBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000264298247 280187272 /nfs/dbraw/zinc/18/72/72/280187272.db2.gz YHSLAIJMWYZZQZ-UHFFFAOYSA-N 0 3 337.424 2.210 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296859380 294086192 /nfs/dbraw/zinc/08/61/92/294086192.db2.gz YTFVPIQNCWFKEO-UONOGXRCSA-N 0 3 346.431 2.338 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2CCN(C)C)c1F ZINC000297669411 294311652 /nfs/dbraw/zinc/31/16/52/294311652.db2.gz FWUFBMIQKSYJIQ-UHFFFAOYSA-N 0 3 335.339 2.053 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000421705250 314146002 /nfs/dbraw/zinc/14/60/02/314146002.db2.gz QVHPXSDUMNUNTR-AWEZNQCLSA-N 0 3 332.404 2.335 20 5 EEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1N(C)C ZINC000565230562 319164904 /nfs/dbraw/zinc/16/49/04/319164904.db2.gz SVMRSHYTXUESDM-QWHCGFSZSA-N 0 3 340.449 2.259 20 5 EEBDHN C[C@@H]1C[C@@H](C)CN(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000572900513 319887602 /nfs/dbraw/zinc/88/76/02/319887602.db2.gz HLFUXAGLRFWRRZ-CHWSQXEVSA-N 0 3 346.387 2.389 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296051932 465065261 /nfs/dbraw/zinc/06/52/61/465065261.db2.gz FSQPAKVOHWRXBG-XKQJLSEDSA-N 0 3 345.399 2.389 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](C)(O)C(F)(F)F ZINC000358362390 465079897 /nfs/dbraw/zinc/07/98/97/465079897.db2.gz CSCDCEBPWMTHMY-TVQRCGJNSA-N 0 3 349.309 2.215 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(OCCN(C)C)cc1 ZINC000341927596 465274741 /nfs/dbraw/zinc/27/47/41/465274741.db2.gz DBSNLICRFWDQIO-UHFFFAOYSA-N 0 3 344.415 2.893 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000085408904 462545110 /nfs/dbraw/zinc/54/51/10/462545110.db2.gz ZDHRVMTUOCAJHI-HIFRSBDPSA-N 0 3 334.420 2.119 20 5 EEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127515861 462560400 /nfs/dbraw/zinc/56/04/00/462560400.db2.gz YVRWNHPCYMBTOJ-GHMZBOCLSA-N 0 3 331.376 2.026 20 5 EEBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000113229419 462579034 /nfs/dbraw/zinc/57/90/34/462579034.db2.gz BTIHRTVVLJFWCG-TZMCWYRMSA-N 0 3 335.429 2.382 20 5 EEBDHN CN(CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000089620256 462699098 /nfs/dbraw/zinc/69/90/98/462699098.db2.gz XKSIDQXFCDWAMX-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN Cc1c([C@H](C)NCC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000090182943 462783698 /nfs/dbraw/zinc/78/36/98/462783698.db2.gz VMPKMENQMOTDPJ-LBPRGKRZSA-N 0 3 326.418 2.379 20 5 EEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119387956 462896990 /nfs/dbraw/zinc/89/69/90/462896990.db2.gz ZGSGDFRIBJMWBL-UHFFFAOYSA-N 0 3 343.449 2.337 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000067118866 462967279 /nfs/dbraw/zinc/96/72/79/462967279.db2.gz LBHVKLAFHCBYBW-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)c1 ZINC000067753689 463046080 /nfs/dbraw/zinc/04/60/80/463046080.db2.gz FITANMPTPHWSCS-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000068202736 463104101 /nfs/dbraw/zinc/10/41/01/463104101.db2.gz BLABMJJWNHGJNP-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1C1CC1 ZINC000157731287 463163527 /nfs/dbraw/zinc/16/35/27/463163527.db2.gz ZUGYKMMTAJZOMB-NEPJUHHUSA-N 0 3 340.383 2.498 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000160425386 463337235 /nfs/dbraw/zinc/33/72/35/463337235.db2.gz XRILTPLYYULVSY-FZMZJTMJSA-N 0 3 332.404 2.256 20 5 EEBDHN NC(=O)c1ccc(CN2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000141815354 463356557 /nfs/dbraw/zinc/35/65/57/463356557.db2.gz FCYRJZYLEUTYCB-UHFFFAOYSA-N 0 3 346.431 2.144 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCn1ccnc1 ZINC000124457545 463426582 /nfs/dbraw/zinc/42/65/82/463426582.db2.gz WJRVWHNWGLIMIJ-CYBMUJFWSA-N 0 3 331.376 2.140 20 5 EEBDHN C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000071954272 463478891 /nfs/dbraw/zinc/47/88/91/463478891.db2.gz GOJIEPNTZQJVCW-RYUDHWBXSA-N 0 3 345.403 2.364 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OC)CC1 ZINC000041897000 463519176 /nfs/dbraw/zinc/51/91/76/463519176.db2.gz PPTXJCOJQUGJRF-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165933081 463650497 /nfs/dbraw/zinc/65/04/97/463650497.db2.gz LJCGGXZXXQFIFI-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286923812 463743998 /nfs/dbraw/zinc/74/39/98/463743998.db2.gz IPNXTQVCNIUVFC-JTQLQIEISA-N 0 3 329.784 2.083 20 5 EEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N(C)C(C)C)cccc1[N+](=O)[O-] ZINC000178160935 463854865 /nfs/dbraw/zinc/85/48/65/463854865.db2.gz WANGBBMCWFWXGE-GFCCVEGCSA-N 0 3 342.417 2.073 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccco2)N(CC)CC)c1[N+](=O)[O-] ZINC000171679339 463905208 /nfs/dbraw/zinc/90/52/08/463905208.db2.gz GDGSGYYJKFLREY-GFCCVEGCSA-N 0 3 349.391 2.286 20 5 EEBDHN COC[C@@H](C)OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278809262 463990781 /nfs/dbraw/zinc/99/07/81/463990781.db2.gz ZNXOSXLSKHPERC-RHSMWYFYSA-N 0 3 340.420 2.218 20 5 EEBDHN COC(=O)C[C@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000269621374 464036670 /nfs/dbraw/zinc/03/66/70/464036670.db2.gz DUVZDEVQLSOHEQ-GFCCVEGCSA-N 0 3 338.360 2.010 20 5 EEBDHN Cc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907305 464125259 /nfs/dbraw/zinc/12/52/59/464125259.db2.gz HHCUQLHARSYNEL-SJLPKXTDSA-N 0 3 330.384 2.477 20 5 EEBDHN Cc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907301 464125599 /nfs/dbraw/zinc/12/55/99/464125599.db2.gz HHCUQLHARSYNEL-AEFFLSMTSA-N 0 3 330.384 2.477 20 5 EEBDHN CC(C)C[C@@H](CNCc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000236683403 464218411 /nfs/dbraw/zinc/21/84/11/464218411.db2.gz FVINHVBDMUHDPX-AWEZNQCLSA-N 0 3 327.450 2.493 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173278046 464228673 /nfs/dbraw/zinc/22/86/73/464228673.db2.gz GVJXRVCRCWJJCW-CQSZACIVSA-N 0 3 332.404 2.293 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)CNC2 ZINC000188660549 464335726 /nfs/dbraw/zinc/33/57/26/464335726.db2.gz HIUGQKPFUJXZRF-UHFFFAOYSA-N 0 3 341.367 2.283 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386596 464435564 /nfs/dbraw/zinc/43/55/64/464435564.db2.gz MYRIBOOSUOLBLQ-STQMWFEESA-N 0 3 333.388 2.023 20 5 EEBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272275479 464546045 /nfs/dbraw/zinc/54/60/45/464546045.db2.gz DYLBABQKWIKXMG-UHFFFAOYSA-N 0 3 341.314 2.188 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294710753 464582947 /nfs/dbraw/zinc/58/29/47/464582947.db2.gz VZXBYZPNVOVMFH-UHFFFAOYSA-N 0 3 347.415 2.358 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)c2ccncc21 ZINC000294926645 464650326 /nfs/dbraw/zinc/65/03/26/464650326.db2.gz JRIOUOFBUHFJQG-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000285672086 464653226 /nfs/dbraw/zinc/65/32/26/464653226.db2.gz PZMANNOHIHHYDH-ZIAGYGMSSA-N 0 3 331.388 2.350 20 5 EEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000591155764 468417469 /nfs/dbraw/zinc/41/74/69/468417469.db2.gz TYJUFRVXAVBZBA-CHWSQXEVSA-N 0 3 326.397 2.145 20 5 EEBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000248664534 464783718 /nfs/dbraw/zinc/78/37/18/464783718.db2.gz JYTNLKKQPJDIGY-ZIAGYGMSSA-N 0 3 344.415 2.343 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192131308 464872407 /nfs/dbraw/zinc/87/24/07/464872407.db2.gz FEUKSIMVLJSMCD-GJZGRUSLSA-N 0 3 338.314 2.189 20 5 EEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249745001 464911617 /nfs/dbraw/zinc/91/16/17/464911617.db2.gz MIIJNYIGUNIGSP-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H](CO)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000276463280 464941775 /nfs/dbraw/zinc/94/17/75/464941775.db2.gz OWXBFVSVUKQTTQ-ZDUSSCGKSA-N 0 3 347.415 2.109 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000344612836 465721669 /nfs/dbraw/zinc/72/16/69/465721669.db2.gz JRXSZFFVXQAKAV-AWEZNQCLSA-N 0 3 349.387 2.174 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000344662366 465761813 /nfs/dbraw/zinc/76/18/13/465761813.db2.gz IRTXOXDDLKZCHF-ZDUSSCGKSA-N 0 3 338.383 2.166 20 5 EEBDHN Cc1cc(N2CCN(CC(C)(C)O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301995596 466076202 /nfs/dbraw/zinc/07/62/02/466076202.db2.gz HJWQBMLJUSZGPN-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN CCN1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332188833 466436032 /nfs/dbraw/zinc/43/60/32/466436032.db2.gz BVRTWTZZASBNQV-OLZOCXBDSA-N 0 3 335.404 2.376 20 5 EEBDHN CN(C)[C@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000347299429 466546608 /nfs/dbraw/zinc/54/66/08/466546608.db2.gz JJUFOOUOLAAFMI-AWEZNQCLSA-N 0 3 342.396 2.293 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000364718620 466713257 /nfs/dbraw/zinc/71/32/57/466713257.db2.gz PJWUGNNFJBSZSK-OAHLLOKOSA-N 0 3 342.399 2.808 20 5 EEBDHN CCOc1cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201278 466743815 /nfs/dbraw/zinc/74/38/15/466743815.db2.gz JNXYUIQZISHDNQ-RDJZCZTQSA-N 0 3 349.431 2.025 20 5 EEBDHN N[C@@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000424072436 466971744 /nfs/dbraw/zinc/97/17/44/466971744.db2.gz GHYSBYBBXZEJDO-CQSZACIVSA-N 0 3 340.383 2.313 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413176864 467184378 /nfs/dbraw/zinc/18/43/78/467184378.db2.gz APEALSNRYYTAKY-TXEJJXNPSA-N 0 3 326.372 2.430 20 5 EEBDHN CC[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(CC)CC ZINC000427967973 467189630 /nfs/dbraw/zinc/18/96/30/467189630.db2.gz FBCHIGKRWFQFDN-OAHLLOKOSA-N 0 3 335.404 2.436 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432136683 467218758 /nfs/dbraw/zinc/21/87/58/467218758.db2.gz DNMMLUKCQYUGCP-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433836338 467357774 /nfs/dbraw/zinc/35/77/74/467357774.db2.gz NXWFKGWFVUTLST-NEPJUHHUSA-N 0 3 337.424 2.434 20 5 EEBDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420924510 467516276 /nfs/dbraw/zinc/51/62/76/467516276.db2.gz JZIKUKMGUCDMLO-OLZOCXBDSA-N 0 3 338.408 2.234 20 5 EEBDHN CNc1nc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454367804 467588211 /nfs/dbraw/zinc/58/82/11/467588211.db2.gz HUYMTVZGSABOEB-CQSZACIVSA-N 0 3 343.387 2.064 20 5 EEBDHN C[C@H](CO)N1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450471228 467856157 /nfs/dbraw/zinc/85/61/57/467856157.db2.gz CHSGWAKMWPDZIC-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000450770654 467905727 /nfs/dbraw/zinc/90/57/27/467905727.db2.gz XKWBBXUDMNFSFR-SNVBAGLBSA-N 0 3 337.351 2.123 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597710390 468646746 /nfs/dbraw/zinc/64/67/46/468646746.db2.gz LRSFRINOEGKTHX-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Cl)cc(Cl)c2)c1 ZINC000594717942 468662221 /nfs/dbraw/zinc/66/22/21/468662221.db2.gz INLXBRDEMFHIDG-CYBMUJFWSA-N 0 3 345.186 2.249 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CCO)C1CCOCC1 ZINC000595032604 468745789 /nfs/dbraw/zinc/74/57/89/468745789.db2.gz NTQWVEHKBLCERD-MLGOLLRUSA-N 0 3 338.404 2.432 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)c2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000601281367 468809567 /nfs/dbraw/zinc/80/95/67/468809567.db2.gz NPDJNCKILKTTHS-ZDUSSCGKSA-N 0 3 345.403 2.152 20 5 EEBDHN CC(C)[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182733 468816742 /nfs/dbraw/zinc/81/67/42/468816742.db2.gz JMIPZOCSYLXFLR-DOTOQJQBSA-N 0 3 347.415 2.055 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CC3(F)F)CC2)c1 ZINC000593076552 468861491 /nfs/dbraw/zinc/86/14/91/468861491.db2.gz LAOUXSDZPFWRQA-ZDUSSCGKSA-N 0 3 342.342 2.456 20 5 EEBDHN CN1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000572112114 468886620 /nfs/dbraw/zinc/88/66/20/468886620.db2.gz DYFQBFZZJXNDLH-UHFFFAOYSA-N 0 3 338.383 2.077 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN[C@@H](C(C)C)C2)c1 ZINC000598571127 468918753 /nfs/dbraw/zinc/91/87/53/468918753.db2.gz GONGCOXRNPVGPX-CQSZACIVSA-N 0 3 335.404 2.129 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000572544351 468948216 /nfs/dbraw/zinc/94/82/16/468948216.db2.gz IMDSLQYDCKYTRM-HNNXBMFYSA-N 0 3 347.415 2.279 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN([C@H]4CCOC4)CC3)nc2c1 ZINC000602716792 469028811 /nfs/dbraw/zinc/02/88/11/469028811.db2.gz DLQLMODTLSAXGD-AWEZNQCLSA-N 0 3 346.387 2.079 20 5 EEBDHN CN(C)C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000602802090 469085660 /nfs/dbraw/zinc/08/56/60/469085660.db2.gz ORTQFFSEKUDSFV-UHFFFAOYSA-N 0 3 344.318 2.412 20 5 EEBDHN COc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000596068277 469139360 /nfs/dbraw/zinc/13/93/60/469139360.db2.gz GQKUFMDUKHUTGP-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN O=[N+]([O-])c1cc(N2CCCN(CCO)CC2)ccc1C(F)(F)F ZINC000596113065 469160942 /nfs/dbraw/zinc/16/09/42/469160942.db2.gz KJPHKENMGKTKRL-UHFFFAOYSA-N 0 3 333.310 2.118 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN(C3CCCC3)CC1)OCCO2 ZINC000611253861 469209951 /nfs/dbraw/zinc/20/99/51/469209951.db2.gz JCQUSJQITBWPQT-UHFFFAOYSA-N 0 3 347.415 2.426 20 5 EEBDHN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596230520 469214236 /nfs/dbraw/zinc/21/42/36/469214236.db2.gz BKTRCWDCQFXEPG-UHFFFAOYSA-N 0 3 340.383 2.014 20 5 EEBDHN CC(C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000611395423 469240900 /nfs/dbraw/zinc/24/09/00/469240900.db2.gz LKEHIYSSFFYUOP-INIZCTEOSA-N 0 3 335.404 2.210 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596441864 469267327 /nfs/dbraw/zinc/26/73/27/469267327.db2.gz RIZMNRJWJXJJDX-UHFFFAOYSA-N 0 3 330.392 2.047 20 5 EEBDHN Cc1ccncc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120834 469400176 /nfs/dbraw/zinc/40/01/76/469400176.db2.gz YKTXECCJVPZGLO-KGLIPLIRSA-N 0 3 331.372 2.389 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000183646090 534423370 /nfs/dbraw/zinc/42/33/70/534423370.db2.gz ZCOYXUZFAMNLGM-UHFFFAOYSA-N 0 3 333.392 2.472 20 5 EEBDHN CC(C)OC(=O)C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181826581 527797953 /nfs/dbraw/zinc/79/79/53/527797953.db2.gz BLMLWFSONABYHA-OAHLLOKOSA-N 0 3 346.387 2.464 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451773935 535547874 /nfs/dbraw/zinc/54/78/74/535547874.db2.gz NTCDOTPWHUOBFU-DFBGVHRSSA-N 0 3 349.387 2.243 20 5 EEBDHN COC(=O)C[C@@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682050 577601673 /nfs/dbraw/zinc/60/16/73/577601673.db2.gz YPQLEOFMCDOHLT-IMXKFXGHSA-N 0 3 334.372 2.310 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000742237649 577869498 /nfs/dbraw/zinc/86/94/98/577869498.db2.gz NLIOBQNZLYCNDS-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000743639565 577888257 /nfs/dbraw/zinc/88/82/57/577888257.db2.gz WGVBSLCZIZECLI-BXKDBHETSA-N 0 3 336.348 2.024 20 5 EEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826499462 607978026 /nfs/dbraw/zinc/97/80/26/607978026.db2.gz JJZWZQHASYGUSX-UHFFFAOYSA-N 0 3 342.334 2.246 20 5 EEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000983016205 681663106 /nfs/dbraw/zinc/66/31/06/681663106.db2.gz RWSYWNIDIQSNQB-YEORSEQZSA-N 0 3 346.412 2.350 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001105484517 1188101503 /nfs/dbraw/zinc/10/15/03/1188101503.db2.gz POYXATYSFKRYMS-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105489831 1188107916 /nfs/dbraw/zinc/10/79/16/1188107916.db2.gz MSDILOGIDUVGLM-UHFFFAOYSA-N 0 3 336.436 2.220 20 5 EEBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001034597565 1196425907 /nfs/dbraw/zinc/42/59/07/1196425907.db2.gz AHSHADCITSECKC-HAQNSBGRSA-N 0 3 349.416 2.210 20 5 EEBDHN Cc1c(CNCC2(CS(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000873132274 1198508613 /nfs/dbraw/zinc/50/86/13/1198508613.db2.gz NDDLPAHUXDYFHB-UHFFFAOYSA-N 0 3 326.418 2.208 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=S)NC1CCN(C)CC1 ZINC000795097555 1200377399 /nfs/dbraw/zinc/37/73/99/1200377399.db2.gz VNLTXXDQDAPFBG-UHFFFAOYSA-N 0 3 336.461 2.038 20 5 EEBDHN CC(COC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)[N+](=O)[O-] ZINC000813108026 1201117218 /nfs/dbraw/zinc/11/72/18/1201117218.db2.gz UACFLQOWCRBPAY-QMMMGPOBSA-N 0 3 344.249 2.108 20 5 EEBDHN COc1ccc(-c2cnc(CCC(=O)OCC(C)[N+](=O)[O-])o2)cc1 ZINC000813115108 1201126347 /nfs/dbraw/zinc/12/63/47/1201126347.db2.gz KSRGERDSWVYLTD-NSHDSACASA-N 0 3 334.328 2.491 20 5 EEBDHN COc1cccc([C@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2)c1 ZINC000886308361 1202490698 /nfs/dbraw/zinc/49/06/98/1202490698.db2.gz ACUFHSSMDIZUBM-MRXNPFEDSA-N 0 3 328.372 2.145 20 5 EEBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000925196370 1206082327 /nfs/dbraw/zinc/08/23/27/1206082327.db2.gz FKKFDZBWNUPNOS-DOMZBBRYSA-N 0 3 346.387 2.062 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778939432 1208410577 /nfs/dbraw/zinc/41/05/77/1208410577.db2.gz MSTAKIKXENUCSN-SNVBAGLBSA-N 0 3 343.330 2.410 20 5 EEBDHN CC(C)N(C)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101352571 1245701127 /nfs/dbraw/zinc/70/11/27/1245701127.db2.gz HLPMGSKKLRBOSP-UHFFFAOYSA-N 0 3 334.420 2.020 20 5 EEBDHN CC(C)N1CCN(c2ccc(C(=O)OCCC[N+](=O)[O-])cc2)CC1 ZINC000860917005 1295171963 /nfs/dbraw/zinc/17/19/63/1295171963.db2.gz DKKMQCFMTWMVKF-UHFFFAOYSA-N 0 3 335.404 2.041 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000783559108 1304299346 /nfs/dbraw/zinc/29/93/46/1304299346.db2.gz JITJDWNIYUAYHH-CVEARBPZSA-N 0 3 339.823 2.279 20 5 EEBDHN CN(CCCNC(=O)c1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001235626198 1305302950 /nfs/dbraw/zinc/30/29/50/1305302950.db2.gz NJJSUOMJVSDBJS-UHFFFAOYSA-N 0 3 334.401 2.303 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001120808472 1309764280 /nfs/dbraw/zinc/76/42/80/1309764280.db2.gz GOUJMYHULURIPQ-CQSZACIVSA-N 0 3 330.388 2.219 20 5 EEBDHN CC(C)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843086853 1315837977 /nfs/dbraw/zinc/83/79/77/1315837977.db2.gz IAZAMQYKTQCLOU-AGIUHOORSA-N 0 3 336.310 2.166 20 5 EEBDHN COc1cnc(-n2cncc2CNCc2ccccc2)c([N+](=O)[O-])c1 ZINC001156482077 1318032982 /nfs/dbraw/zinc/03/29/82/1318032982.db2.gz GUGAKENPNYPONE-UHFFFAOYSA-N 0 3 339.355 2.474 20 5 EEBDHN COc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC001254467958 1318081767 /nfs/dbraw/zinc/08/17/67/1318081767.db2.gz GOMNDSQLWQFDJU-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@](CO)(C(F)(F)F)C1)C2 ZINC001254593945 1318135844 /nfs/dbraw/zinc/13/58/44/1318135844.db2.gz OGWLHSRSANPZKV-UONOGXRCSA-N 0 3 330.306 2.309 20 5 EEBDHN CN1C[C@@]2(CC1=O)CCCCN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599428 1318140323 /nfs/dbraw/zinc/14/03/23/1318140323.db2.gz ZFGQFPYVNVVVOH-WMZOPIPTSA-N 0 3 329.400 2.149 20 5 EEBDHN C[C@H](N)c1ccn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158354516 1319194548 /nfs/dbraw/zinc/19/45/48/1319194548.db2.gz ANAYJDXNIJLDJA-BYPYZUCNSA-N 0 3 336.661 2.262 20 5 EEBDHN C[C@H](N)c1ccn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)n1 ZINC001158357360 1319197323 /nfs/dbraw/zinc/19/73/23/1319197323.db2.gz ZOCBLGZQHDMXKQ-VIFPVBQESA-N 0 3 328.307 2.396 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CNCCO1 ZINC001159501436 1319844046 /nfs/dbraw/zinc/84/40/46/1319844046.db2.gz IXYWNBGQCGXTOV-DOMZBBRYSA-N 0 3 328.372 2.446 20 5 EEBDHN COCCC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163046380 1321021971 /nfs/dbraw/zinc/02/19/71/1321021971.db2.gz DKSFLRPNEOTHGZ-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CC1(C)CC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001609144059 1351859957 /nfs/dbraw/zinc/85/99/57/1351859957.db2.gz GYEXAJNFLNRYKI-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001333317275 1336006519 /nfs/dbraw/zinc/00/65/19/1336006519.db2.gz FBFVDRAPUMPDHK-PELKAZGASA-N 0 3 327.743 2.163 20 5 EEBDHN CCN(CCNC(=O)Cc1nc[nH]c1C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100577765 1338524561 /nfs/dbraw/zinc/52/45/61/1338524561.db2.gz PKYDYTSVIKFAOF-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590260626 1349234472 /nfs/dbraw/zinc/23/44/72/1349234472.db2.gz QLMNXKIJBCOLEY-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590260626 1349234478 /nfs/dbraw/zinc/23/44/78/1349234478.db2.gz QLMNXKIJBCOLEY-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN O=[N+]([O-])c1cc(NCCCCC[NH+]2CCCC2)ccc1-c1nnn[n-]1 ZINC001607079296 1351408186 /nfs/dbraw/zinc/40/81/86/1351408186.db2.gz FRSYTVCZNHWQGV-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1cc(NCCC[NH+]2CCCCC2)ccc1-c1nnn[n-]1 ZINC001607078855 1351408594 /nfs/dbraw/zinc/40/85/94/1351408594.db2.gz ANRWMXVULSGADE-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN3CC[C@H]2C3)nc1OCc1ccccc1 ZINC000599082773 791082842 /nfs/dbraw/zinc/08/28/42/791082842.db2.gz HLZWIOJBEAMPJN-HNNXBMFYSA-N 0 3 340.383 2.463 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc2c([nH]1)CCC2 ZINC001170902360 785262443 /nfs/dbraw/zinc/26/24/43/785262443.db2.gz AWZXREJYLDKZFE-UHFFFAOYSA-N 0 3 342.399 2.321 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCC[S@](=O)Cc2ccccc2)c1 ZINC000819042779 785371562 /nfs/dbraw/zinc/37/15/62/785371562.db2.gz NWAMZNIVRVVGGE-OSPHWJPCSA-N 0 3 348.424 2.167 20 5 EEBDHN Cc1cnc(NCCCN(C)C(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001109547589 805650148 /nfs/dbraw/zinc/65/01/48/805650148.db2.gz HTZQRYLCQIONPX-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1cc(NC/C=C\CNC(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001107199647 786370051 /nfs/dbraw/zinc/37/00/51/786370051.db2.gz DVFHVDHMOKHZMH-IHWYPQMZSA-N 0 3 332.404 2.083 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107205171 786397242 /nfs/dbraw/zinc/39/72/42/786397242.db2.gz WQSWPZKDSFXOQC-WAYWQWQTSA-N 0 3 338.383 2.160 20 5 EEBDHN CCN1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280503 786610839 /nfs/dbraw/zinc/61/08/39/786610839.db2.gz BRFZMTGUFXLKBG-SNVBAGLBSA-N 0 3 349.416 2.156 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ccncn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875654 789972144 /nfs/dbraw/zinc/97/21/44/789972144.db2.gz AXXSQDGINMRLDB-BDJLRTHQSA-N 0 3 333.319 2.498 20 5 EEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001149208374 790128994 /nfs/dbraw/zinc/12/89/94/790128994.db2.gz CETHYFHNMAYTBD-UHFFFAOYSA-N 0 3 329.347 2.482 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001094140799 795991153 /nfs/dbraw/zinc/99/11/53/795991153.db2.gz VSJGEOAITYOFBP-UHFFFAOYSA-N 0 3 334.420 2.163 20 5 EEBDHN CN(CC(=O)NCCCNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001094784151 796578535 /nfs/dbraw/zinc/57/85/35/796578535.db2.gz LJSNDRRYEXYDQB-UHFFFAOYSA-N 0 3 336.436 2.491 20 5 EEBDHN CC(=O)CN(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010561 797195742 /nfs/dbraw/zinc/19/57/42/797195742.db2.gz VAMWMPCMBVZLIZ-UHFFFAOYSA-N 0 3 327.331 2.363 20 5 EEBDHN Cc1nocc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086185527 802433808 /nfs/dbraw/zinc/43/38/08/802433808.db2.gz BZLLMZDHOIOFFX-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001086379086 802860928 /nfs/dbraw/zinc/86/09/28/802860928.db2.gz ULKNUTOSNJWNTE-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CN2CCCC2)c1 ZINC001109454697 805492317 /nfs/dbraw/zinc/49/23/17/805492317.db2.gz MYDARUBSXZZUSN-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000787675093 807176805 /nfs/dbraw/zinc/17/68/05/807176805.db2.gz JEOFSLBVCXSBIG-MRXNPFEDSA-N 0 3 337.395 2.421 20 5 EEBDHN COC(=O)[C@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356144 809903612 /nfs/dbraw/zinc/90/36/12/809903612.db2.gz YNWQHGHFWZQBIC-IUODEOHRSA-N 0 3 348.399 2.419 20 5 EEBDHN O=C(CC1CC(F)(F)C1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130430121 811626735 /nfs/dbraw/zinc/62/67/35/811626735.db2.gz MXWGGSOCTFORJI-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccsc3)CC2)c1 ZINC000186919904 236064657 /nfs/dbraw/zinc/06/46/57/236064657.db2.gz RDNOJUOENHWTNX-OAHLLOKOSA-N 0 3 336.417 2.093 20 5 EEBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193068908 237366003 /nfs/dbraw/zinc/36/60/03/237366003.db2.gz VSUOSCWJSPHDPX-OIISXLGYSA-N 0 3 347.415 2.198 20 5 EEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271678294 201245929 /nfs/dbraw/zinc/24/59/29/201245929.db2.gz JEVHDUJHBDFSJJ-LBPRGKRZSA-N 0 3 349.412 2.136 20 5 EEBDHN C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000195666984 241031321 /nfs/dbraw/zinc/03/13/21/241031321.db2.gz GOJIEPNTZQJVCW-VXGBXAGGSA-N 0 3 345.403 2.364 20 5 EEBDHN COC[C@@]1(C)CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451203867 243031239 /nfs/dbraw/zinc/03/12/39/243031239.db2.gz RNSKHIUKXRPQJH-KRWDZBQOSA-N 0 3 349.387 2.251 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](N)c2ccccc2)c1C ZINC000237668051 204714370 /nfs/dbraw/zinc/71/43/70/204714370.db2.gz GNHITTRKJJDOGY-HNNXBMFYSA-N 0 3 349.412 2.190 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000134291708 205399216 /nfs/dbraw/zinc/39/92/16/205399216.db2.gz IOJXSLDORBHKTH-UHFFFAOYSA-N 0 3 338.795 2.329 20 5 EEBDHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450726 246955361 /nfs/dbraw/zinc/95/53/61/246955361.db2.gz KVYDIGPNBWOLBQ-CABCVRRESA-N 0 3 345.403 2.072 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000174332614 207012395 /nfs/dbraw/zinc/01/23/95/207012395.db2.gz LHIXDIFUZSHEDL-HOCLYGCPSA-N 0 3 340.445 2.408 20 5 EEBDHN Cc1cc(CN(C)C)cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000270375801 256129084 /nfs/dbraw/zinc/12/90/84/256129084.db2.gz LOMWDRZZFMFXJZ-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)nc1 ZINC000273164325 256271819 /nfs/dbraw/zinc/27/18/19/256271819.db2.gz JOCQGLSFKSCMEB-MRXNPFEDSA-N 0 3 328.372 2.169 20 5 EEBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)nc1 ZINC000273164323 256272237 /nfs/dbraw/zinc/27/22/37/256272237.db2.gz JOCQGLSFKSCMEB-INIZCTEOSA-N 0 3 328.372 2.169 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000273489215 256300688 /nfs/dbraw/zinc/30/06/88/256300688.db2.gz KJNISLCSKBLKPS-CVEARBPZSA-N 0 3 349.456 2.176 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000027582273 158881209 /nfs/dbraw/zinc/88/12/09/158881209.db2.gz WHFVSIIPDPKBKP-QGZVFWFLSA-N 0 3 327.384 2.498 20 5 EEBDHN CN(C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000068199957 159017782 /nfs/dbraw/zinc/01/77/82/159017782.db2.gz VNDDQZLAIHZKJV-QGZVFWFLSA-N 0 3 342.399 2.426 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083026929 159160647 /nfs/dbraw/zinc/16/06/47/159160647.db2.gz WKQOUSVZYQECEU-KBPBESRZSA-N 0 3 335.404 2.214 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188677495 160126923 /nfs/dbraw/zinc/12/69/23/160126923.db2.gz FYYAFVASJMCYMU-UHFFFAOYSA-N 0 3 340.383 2.194 20 5 EEBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000343066965 161099698 /nfs/dbraw/zinc/09/96/98/161099698.db2.gz JKWQOSOFXMDOPH-ZIAGYGMSSA-N 0 3 335.404 2.353 20 5 EEBDHN CCCN(CCN(C)C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344731258 161240472 /nfs/dbraw/zinc/24/04/72/161240472.db2.gz ZSFUVQDCKYQORQ-UHFFFAOYSA-N 0 3 337.420 2.472 20 5 EEBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCN(C)CC1 ZINC000355462082 163199144 /nfs/dbraw/zinc/19/91/44/163199144.db2.gz YNZMYZJJIZBNSM-UHFFFAOYSA-N 0 3 329.447 2.214 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C4(CC4)C3)o2)c1 ZINC000364317699 165093708 /nfs/dbraw/zinc/09/37/08/165093708.db2.gz OTISFLUMUZPPLM-OAHLLOKOSA-N 0 3 329.356 2.249 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)c1ccccc1 ZINC000123801202 222334637 /nfs/dbraw/zinc/33/46/37/222334637.db2.gz XCTCWCAEWQHMIV-HNNXBMFYSA-N 0 3 349.412 2.136 20 5 EEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1N1CCCC1 ZINC000275417503 269114886 /nfs/dbraw/zinc/11/48/86/269114886.db2.gz HBPNFDULVSCKKL-STQMWFEESA-N 0 3 340.424 2.332 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1CCN(C)C ZINC000275746633 269139788 /nfs/dbraw/zinc/13/97/88/269139788.db2.gz ZOPYUKNOCXXSFD-UHFFFAOYSA-N 0 3 345.403 2.233 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC2CCN(C)CC2)c1 ZINC000280883501 269397367 /nfs/dbraw/zinc/39/73/67/269397367.db2.gz BHQWDHUSENJQOG-UHFFFAOYSA-N 0 3 349.431 2.472 20 5 EEBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000272554453 274175085 /nfs/dbraw/zinc/17/50/85/274175085.db2.gz RYANZAOGAUAXQF-DYVFJYSZSA-N 0 3 343.431 2.490 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(C[C@H]2CCOC2)CC1 ZINC000450367660 275039641 /nfs/dbraw/zinc/03/96/41/275039641.db2.gz CSBKHSZDKGZBHJ-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288484421 275063016 /nfs/dbraw/zinc/06/30/16/275063016.db2.gz VQSJSHSIRDMWDF-ZDUSSCGKSA-N 0 3 343.449 2.135 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518517 275066103 /nfs/dbraw/zinc/06/61/03/275066103.db2.gz TVDSSNGQBAMSTJ-VXGBXAGGSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518517 275066104 /nfs/dbraw/zinc/06/61/04/275066104.db2.gz TVDSSNGQBAMSTJ-VXGBXAGGSA-N 0 3 335.408 2.140 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000450770653 277370162 /nfs/dbraw/zinc/37/01/62/277370162.db2.gz XKWBBXUDMNFSFR-JTQLQIEISA-N 0 3 337.351 2.123 20 5 EEBDHN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376213714 278802610 /nfs/dbraw/zinc/80/26/10/278802610.db2.gz YVXUXDSUSMDBPM-HIFRSBDPSA-N 0 3 336.411 2.196 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343421552 281013578 /nfs/dbraw/zinc/01/35/78/281013578.db2.gz CVWRWHXPCDYPBN-CVEARBPZSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367059733 281260524 /nfs/dbraw/zinc/26/05/24/281260524.db2.gz JZCVHHKCHVHGRH-HZPDHXFCSA-N 0 3 332.448 2.365 20 5 EEBDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536699 294002350 /nfs/dbraw/zinc/00/23/50/294002350.db2.gz SAWINLYTUKPPDE-MKBNYLNASA-N 0 3 332.404 2.438 20 5 EEBDHN Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187190384 302735120 /nfs/dbraw/zinc/73/51/20/302735120.db2.gz CLKHLCUTCRTZCL-FZMZJTMJSA-N 0 3 345.403 2.058 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000170713180 311394418 /nfs/dbraw/zinc/39/44/18/311394418.db2.gz AVIFHDIOJHFRQR-OAHLLOKOSA-N 0 3 332.404 2.012 20 5 EEBDHN CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413139072 312799925 /nfs/dbraw/zinc/79/99/25/312799925.db2.gz DPWZTSVNDQQXRY-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN CCS(=O)(=O)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414349821 313001802 /nfs/dbraw/zinc/00/18/02/313001802.db2.gz ZLDCUOOYYSNETB-HNNXBMFYSA-N 0 3 326.418 2.387 20 5 EEBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414485772 313033943 /nfs/dbraw/zinc/03/39/43/313033943.db2.gz IMTMHSDTJXCBCF-GJZGRUSLSA-N 0 3 332.356 2.436 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414957111 313115090 /nfs/dbraw/zinc/11/50/90/313115090.db2.gz VSUPAPLHFHSUMN-DTWKUNHWSA-N 0 3 344.318 2.410 20 5 EEBDHN C[C@@H]1C[C@@H](CO)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361021 314091658 /nfs/dbraw/zinc/09/16/58/314091658.db2.gz KBENYQKMMAYAAI-ZIAGYGMSSA-N 0 3 344.415 2.446 20 5 EEBDHN CC(C)c1ccc(C(=O)NC2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000439762116 315094682 /nfs/dbraw/zinc/09/46/82/315094682.db2.gz AMVSWCGHAKTIIV-UHFFFAOYSA-N 0 3 349.431 2.295 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000440728955 315147274 /nfs/dbraw/zinc/14/72/74/315147274.db2.gz FFEMHCDXRJHSSV-UHFFFAOYSA-N 0 3 341.433 2.152 20 5 EEBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC1 ZINC000535514701 317971483 /nfs/dbraw/zinc/97/14/83/317971483.db2.gz VEANADURFPTIDZ-GFCCVEGCSA-N 0 3 330.388 2.219 20 5 EEBDHN C[C@H](CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141119 318071302 /nfs/dbraw/zinc/07/13/02/318071302.db2.gz CTZBLXWHIODAQO-NFAWXSAZSA-N 0 3 340.445 2.329 20 5 EEBDHN Cc1nn(CCC(=O)Nc2ccccc2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000549148263 318429945 /nfs/dbraw/zinc/42/99/45/318429945.db2.gz FQXNVBBUGLFMOL-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN CCc1cnccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005920 319234613 /nfs/dbraw/zinc/23/46/13/319234613.db2.gz XTHSTCIRLADLKW-OAHLLOKOSA-N 0 3 331.372 2.082 20 5 EEBDHN CN1CCC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000577030616 320224864 /nfs/dbraw/zinc/22/48/64/320224864.db2.gz XEXYLKVHBLNQDP-GFCCVEGCSA-N 0 3 343.387 2.057 20 5 EEBDHN CO[C@]1(C)C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419845 465187983 /nfs/dbraw/zinc/18/79/83/465187983.db2.gz VMVCSKRGLDXCPR-MAUKXSAKSA-N 0 3 347.415 2.277 20 5 EEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000154239454 462745039 /nfs/dbraw/zinc/74/50/39/462745039.db2.gz FXNHFIRCEFEROD-CYBMUJFWSA-N 0 3 334.420 2.417 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065534460 462792168 /nfs/dbraw/zinc/79/21/68/462792168.db2.gz DLZPUGTXRNSHJE-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOC2=O)cc1 ZINC000090538418 462796518 /nfs/dbraw/zinc/79/65/18/462796518.db2.gz FVCHGTHCCLZWBH-GFCCVEGCSA-N 0 3 345.359 2.099 20 5 EEBDHN CC[C@@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090564452 462798898 /nfs/dbraw/zinc/79/88/98/462798898.db2.gz AOIQXGWNUFZDCN-QGZVFWFLSA-N 0 3 345.399 2.030 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN(C(C)C)CC1 ZINC000069083285 463206313 /nfs/dbraw/zinc/20/63/13/463206313.db2.gz FATFKGFOLXZODR-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163029324 463558433 /nfs/dbraw/zinc/55/84/33/463558433.db2.gz OBAPXLCYBUUNFU-ZJUUUORDSA-N 0 3 327.768 2.201 20 5 EEBDHN CC(C)[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964652 463637963 /nfs/dbraw/zinc/63/79/63/463637963.db2.gz PNKJHDCIJNKAFM-CZUORRHYSA-N 0 3 335.404 2.129 20 5 EEBDHN Cc1c(Br)c(NC[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000165725223 463646834 /nfs/dbraw/zinc/64/68/34/463646834.db2.gz GRJCMDONESYJFG-VIFPVBQESA-N 0 3 329.198 2.424 20 5 EEBDHN Cc1cc(NC(=O)NC2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000193649325 463724384 /nfs/dbraw/zinc/72/43/84/463724384.db2.gz JRLUJHJIEKNBFP-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287217269 463837862 /nfs/dbraw/zinc/83/78/62/463837862.db2.gz QBKZUXMZLRUPOT-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000194655909 463904062 /nfs/dbraw/zinc/90/40/62/463904062.db2.gz VVFLDDRCEVNRJT-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579088 464026650 /nfs/dbraw/zinc/02/66/50/464026650.db2.gz YXCYCZJBSFRVJP-NVXWUHKLSA-N 0 3 338.404 2.259 20 5 EEBDHN Cn1cc([C@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126105 464040322 /nfs/dbraw/zinc/04/03/22/464040322.db2.gz QQAZKPGKPQXYNE-JKSUJKDBSA-N 0 3 330.388 2.374 20 5 EEBDHN C[C@H](c1ccccc1)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274842 464181899 /nfs/dbraw/zinc/18/18/99/464181899.db2.gz SKZWMFLTCSNNDY-CXAGYDPISA-N 0 3 327.384 2.385 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000284458763 464199432 /nfs/dbraw/zinc/19/94/32/464199432.db2.gz RTOYBXYSNZNQAU-NHYWBVRUSA-N 0 3 333.388 2.206 20 5 EEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173665102 464305556 /nfs/dbraw/zinc/30/55/56/464305556.db2.gz AVXBFSIMROFGDP-CYBMUJFWSA-N 0 3 341.433 2.090 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000294244773 464443430 /nfs/dbraw/zinc/44/34/30/464443430.db2.gz XRDIQNXTVJOXES-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000281507905 464483598 /nfs/dbraw/zinc/48/35/98/464483598.db2.gz IJHACHSIFNPLNE-ZIAGYGMSSA-N 0 3 347.415 2.414 20 5 EEBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000294622999 464555281 /nfs/dbraw/zinc/55/52/81/464555281.db2.gz XYAVRROTPSKTLM-AWEZNQCLSA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285533934 464599006 /nfs/dbraw/zinc/59/90/06/464599006.db2.gz LDGTWWZMJLECMZ-QLFBSQMISA-N 0 3 346.431 2.480 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000294952353 464661292 /nfs/dbraw/zinc/66/12/92/464661292.db2.gz AWYCAKFIFBBWHU-ZIAGYGMSSA-N 0 3 346.431 2.338 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000247512410 464688448 /nfs/dbraw/zinc/68/84/48/464688448.db2.gz JUIAAUWSUNHEIM-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000295120224 464712474 /nfs/dbraw/zinc/71/24/74/464712474.db2.gz IREVXHBTRMNJRG-SUMWQHHRSA-N 0 3 336.388 2.476 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(CN2CCN(C[C@H]3CCOC3)CC2)c(F)c1 ZINC000286607278 464975571 /nfs/dbraw/zinc/97/55/71/464975571.db2.gz YFNODJNCYRCHMI-GFCCVEGCSA-N 0 3 341.358 2.027 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908677 464997518 /nfs/dbraw/zinc/99/75/18/464997518.db2.gz YKSPRMOYAHWJRT-SUMWQHHRSA-N 0 3 346.431 2.261 20 5 EEBDHN CCN(Cc1ccncc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298707019 465478186 /nfs/dbraw/zinc/47/81/86/465478186.db2.gz YCHNEXFSKQYABA-MRXNPFEDSA-N 0 3 331.372 2.252 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352816665 465558670 /nfs/dbraw/zinc/55/86/70/465558670.db2.gz PVDBQKCYYGTBAT-KWBADKCTSA-N 0 3 339.417 2.272 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330597781 465724462 /nfs/dbraw/zinc/72/44/62/465724462.db2.gz SNOIAUKCNWGAGI-OLZOCXBDSA-N 0 3 334.420 2.256 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000344675508 465771656 /nfs/dbraw/zinc/77/16/56/465771656.db2.gz SDUIRXNZXAGJHN-HNNXBMFYSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000361210838 465838327 /nfs/dbraw/zinc/83/83/27/465838327.db2.gz DETAIUZNKVEXCE-HOTGVXAUSA-N 0 3 349.431 2.000 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000371517238 465851435 /nfs/dbraw/zinc/85/14/35/465851435.db2.gz NMSXETMXBHEUBR-KBPBESRZSA-N 0 3 332.404 2.092 20 5 EEBDHN N[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580063234 468459389 /nfs/dbraw/zinc/45/93/89/468459389.db2.gz RNVYBMXRFJNIKC-MRXNPFEDSA-N 0 3 327.384 2.214 20 5 EEBDHN CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cn2)CC1 ZINC000338230027 465920009 /nfs/dbraw/zinc/92/00/09/465920009.db2.gz DZXVPQJARVIFOT-UHFFFAOYSA-N 0 3 345.359 2.043 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209461 465993468 /nfs/dbraw/zinc/99/34/68/465993468.db2.gz XSJJYTNSIDSMSW-VBQJREDUSA-N 0 3 346.431 2.195 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358150396 466496169 /nfs/dbraw/zinc/49/61/69/466496169.db2.gz MZYWVOXEIJOWDJ-NEPJUHHUSA-N 0 3 336.392 2.451 20 5 EEBDHN COc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332329738 466510568 /nfs/dbraw/zinc/51/05/68/466510568.db2.gz PBMDGDBPJTVBPH-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000373440713 466804268 /nfs/dbraw/zinc/80/42/68/466804268.db2.gz DXGCACHJQWENTB-GASCZTMLSA-N 0 3 341.367 2.392 20 5 EEBDHN C[C@@H]1C[C@H](O)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000412028502 466969984 /nfs/dbraw/zinc/96/99/84/466969984.db2.gz BHWWJSZDPJWYMZ-DOMZBBRYSA-N 0 3 331.372 2.495 20 5 EEBDHN CC(C)N1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000428244123 467215784 /nfs/dbraw/zinc/21/57/84/467215784.db2.gz ONOBNACBSQFVIB-KRWDZBQOSA-N 0 3 346.431 2.116 20 5 EEBDHN C[C@@H]1CN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CCCO1 ZINC000432875744 467271378 /nfs/dbraw/zinc/27/13/78/467271378.db2.gz HDQIDZVNQGGTKC-CQSZACIVSA-N 0 3 344.415 3.056 20 5 EEBDHN Cc1noc(C[C@H](NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000429534141 467342801 /nfs/dbraw/zinc/34/28/01/467342801.db2.gz YZNDCWDGFGULQW-HNNXBMFYSA-N 0 3 342.359 2.056 20 5 EEBDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420924511 467515938 /nfs/dbraw/zinc/51/59/38/467515938.db2.gz JZIKUKMGUCDMLO-QWHCGFSZSA-N 0 3 338.408 2.234 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CCN(C)[C@H](C)C1 ZINC000450351794 467833944 /nfs/dbraw/zinc/83/39/44/467833944.db2.gz ABSIFOOKRVNYAR-VXGBXAGGSA-N 0 3 330.388 2.468 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450394865 467841684 /nfs/dbraw/zinc/84/16/84/467841684.db2.gz YMVJAZHQEBYRBT-CYBMUJFWSA-N 0 3 330.388 2.300 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352096 467892643 /nfs/dbraw/zinc/89/26/43/467892643.db2.gz MIHMKKAZVVSWMZ-KIUWMYQTSA-N 0 3 347.415 2.225 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488075999 468070786 /nfs/dbraw/zinc/07/07/86/468070786.db2.gz MCBNNUPUAHTQQI-CYBMUJFWSA-N 0 3 330.388 2.300 20 5 EEBDHN COc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000551571794 468242857 /nfs/dbraw/zinc/24/28/57/468242857.db2.gz VXEBQLMZJBZFIF-AWEZNQCLSA-N 0 3 332.356 2.133 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594390528 468570330 /nfs/dbraw/zinc/57/03/30/468570330.db2.gz XFKKXVVIANJRGH-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN CNc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594418836 468579356 /nfs/dbraw/zinc/57/93/56/468579356.db2.gz MFMHRGDZZQDXLU-ZIAGYGMSSA-N 0 3 332.404 2.383 20 5 EEBDHN CNC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594596943 468631089 /nfs/dbraw/zinc/63/10/89/468631089.db2.gz BJSOGHUFGDXHPP-HIFRSBDPSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597709754 468647108 /nfs/dbraw/zinc/64/71/08/468647108.db2.gz BDEYQYMEIWTDBY-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1=CCCOC1 ZINC000595747952 468984849 /nfs/dbraw/zinc/98/48/49/468984849.db2.gz QQAGZTLLRFOJPX-UHFFFAOYSA-N 0 3 347.371 2.171 20 5 EEBDHN Cc1ncccc1NC(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602686521 469011993 /nfs/dbraw/zinc/01/19/93/469011993.db2.gz FOZLZHSRJTUWPE-ZDUSSCGKSA-N 0 3 328.372 2.458 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(Cc2ccccc2)CC1 ZINC000602760504 469057943 /nfs/dbraw/zinc/05/79/43/469057943.db2.gz PZUUMGVEYNHDRF-UHFFFAOYSA-N 0 3 343.431 2.308 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH]c1=O ZINC000599084156 469111853 /nfs/dbraw/zinc/11/18/53/469111853.db2.gz OXTDYUJDSGPVDQ-NSHDSACASA-N 0 3 330.344 2.202 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611092018 469160672 /nfs/dbraw/zinc/16/06/72/469160672.db2.gz GQJGIJIUZRPLFS-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611274777 469217304 /nfs/dbraw/zinc/21/73/04/469217304.db2.gz GABUIIPTAPJLLH-QWHCGFSZSA-N 0 3 334.372 2.224 20 5 EEBDHN CC1CCC(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000609670660 469953774 /nfs/dbraw/zinc/95/37/74/469953774.db2.gz GUDGHUVWTCSTPP-UHFFFAOYSA-N 0 3 346.431 2.394 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccn2)c1 ZINC000183565872 533876434 /nfs/dbraw/zinc/87/64/34/533876434.db2.gz FLGUPSBIIZTFSJ-ZDUSSCGKSA-N 0 3 326.360 2.328 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(N(C)C)CC1 ZINC000416300427 533930648 /nfs/dbraw/zinc/93/06/48/533930648.db2.gz ISJAZPQCJAFILF-SNVBAGLBSA-N 0 3 341.795 2.226 20 5 EEBDHN CC1([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183833335 528053063 /nfs/dbraw/zinc/05/30/63/528053063.db2.gz JMUVCPWKHSKKHB-CQSZACIVSA-N 0 3 336.388 2.449 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491530423 535857621 /nfs/dbraw/zinc/85/76/21/535857621.db2.gz BBGYTTRJCFFTBM-IJDCCNJMSA-N 0 3 347.415 2.177 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COC2(CCOCC2)O1 ZINC000777309030 577476364 /nfs/dbraw/zinc/47/63/64/577476364.db2.gz IULJZQMPJNTUTH-ZFWWWQNUSA-N 0 3 336.388 2.476 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCOc2ccc3c(c2)OCO3)c1 ZINC000749675387 577979707 /nfs/dbraw/zinc/97/97/07/577979707.db2.gz KWMMHCFQQLDJOF-HNNXBMFYSA-N 0 3 346.339 2.026 20 5 EEBDHN CC(C)(O)CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000750048182 577986152 /nfs/dbraw/zinc/98/61/52/577986152.db2.gz UNZRJIGBDPKHDK-UHFFFAOYSA-N 0 3 326.368 2.486 20 5 EEBDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001021841875 676517402 /nfs/dbraw/zinc/51/74/02/676517402.db2.gz PQRZLMYJUSXGQP-IYBDPMFKSA-N 0 3 340.383 2.349 20 5 EEBDHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001021843424 676518050 /nfs/dbraw/zinc/51/80/50/676518050.db2.gz MIMLFBZXJUUORL-OKILXGFUSA-N 0 3 341.367 2.351 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001021890113 676538161 /nfs/dbraw/zinc/53/81/61/676538161.db2.gz PVIRVNAGIAYCSQ-TXEJJXNPSA-N 0 3 332.385 2.102 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001022262279 676775105 /nfs/dbraw/zinc/77/51/05/676775105.db2.gz UJLSRLZZBWSBOM-TXEJJXNPSA-N 0 3 332.385 2.102 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001105441773 1187158264 /nfs/dbraw/zinc/15/82/64/1187158264.db2.gz JSUGQNUYFXHTAQ-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CN(C)CCN1C ZINC000872036686 1198032052 /nfs/dbraw/zinc/03/20/52/1198032052.db2.gz VFQSJPQCHZKGKE-JSGCOSHPSA-N 0 3 338.477 2.213 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CNC(=O)N2C)CC1 ZINC000877601087 1199978102 /nfs/dbraw/zinc/97/81/02/1199978102.db2.gz WIUDBLYQZITSOC-UHFFFAOYSA-N 0 3 332.404 2.201 20 5 EEBDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886145172 1202477127 /nfs/dbraw/zinc/47/71/27/1202477127.db2.gz QQMGOYATLHWZMS-OCCSQVGLSA-N 0 3 336.392 2.336 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000010138585 1205710884 /nfs/dbraw/zinc/71/08/84/1205710884.db2.gz MWSZDRJCSONHIA-HNNXBMFYSA-N 0 3 342.399 2.080 20 5 EEBDHN Cc1c(NC(=O)CCN2CCC[C@H]2C2OCCO2)cccc1[N+](=O)[O-] ZINC000933904221 1207866331 /nfs/dbraw/zinc/86/63/31/1207866331.db2.gz VUBQUIAICSFEGV-HNNXBMFYSA-N 0 3 349.387 2.069 20 5 EEBDHN COc1ccc(NC(=O)CNC(C)(C)CSC)c([N+](=O)[O-])c1 ZINC000934676781 1208006509 /nfs/dbraw/zinc/00/65/09/1208006509.db2.gz WSHZDLBEDTXBPD-UHFFFAOYSA-N 0 3 327.406 2.273 20 5 EEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119869927 1229619274 /nfs/dbraw/zinc/61/92/74/1229619274.db2.gz WVRIPUBEPWQKOQ-NSHDSACASA-N 0 3 347.462 2.151 20 5 EEBDHN CCN(CC)CC(=O)NCCN(c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC001101350507 1245698920 /nfs/dbraw/zinc/69/89/20/1245698920.db2.gz QFKLHIQTCIJHKI-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN C[C@H](NCCn1cnc(Br)n1)c1cccc([N+](=O)[O-])c1 ZINC000851896721 1291907427 /nfs/dbraw/zinc/90/74/27/1291907427.db2.gz LYMNSJFIDHBUFA-VIFPVBQESA-N 0 3 340.181 2.300 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000853232263 1292334723 /nfs/dbraw/zinc/33/47/23/1292334723.db2.gz XORQIIIULJKITB-NSHDSACASA-N 0 3 332.360 2.200 20 5 EEBDHN CC[C@H](C)CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111254848 1292361478 /nfs/dbraw/zinc/36/14/78/1292361478.db2.gz CWWGSCHZCDRMQC-HNNXBMFYSA-N 0 3 348.447 2.221 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1)[N+](=O)[O-] ZINC000860777145 1295105008 /nfs/dbraw/zinc/10/50/08/1295105008.db2.gz LDTWEIZGQMUCKU-VIFPVBQESA-N 0 3 325.321 2.251 20 5 EEBDHN C[C@@H]1CCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768308 1303699699 /nfs/dbraw/zinc/69/96/99/1303699699.db2.gz ROWHRPPOULCOLH-RHSMWYFYSA-N 0 3 343.431 2.492 20 5 EEBDHN O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCCC[C@@]34CNCCO4)c2c1 ZINC001155826945 1317752288 /nfs/dbraw/zinc/75/22/88/1317752288.db2.gz WAARXSRFNAOVTL-DOTOQJQBSA-N 0 3 343.387 2.251 20 5 EEBDHN Cc1cnccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157616451 1318750733 /nfs/dbraw/zinc/75/07/33/1318750733.db2.gz SXVJUDCCTLFYOH-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1nc(NCC2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161244341 1320431794 /nfs/dbraw/zinc/43/17/94/1320431794.db2.gz DRGWFFRPMQUEHP-UHFFFAOYSA-N 0 3 342.403 2.412 20 5 EEBDHN CCCc1n[nH]cc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161672631 1320582740 /nfs/dbraw/zinc/58/27/40/1320582740.db2.gz YBOSGJKCSCLNGT-UHFFFAOYSA-N 0 3 345.403 2.180 20 5 EEBDHN CN1CCN(CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161700668 1320592993 /nfs/dbraw/zinc/59/29/93/1320592993.db2.gz OVVFKYGYALYXOL-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN COC(=O)c1csc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001162489228 1320873351 /nfs/dbraw/zinc/87/33/51/1320873351.db2.gz XCIXTXSTZFSLBO-UHFFFAOYSA-N 0 3 334.357 2.053 20 5 EEBDHN O=C(CNc1cc2c(cc1[N+](=O)[O-])CNC2)N1CCc2ccccc21 ZINC001164593596 1321427241 /nfs/dbraw/zinc/42/72/41/1321427241.db2.gz LDXGHUWVZUWLJP-UHFFFAOYSA-N 0 3 338.367 2.199 20 5 EEBDHN COC(=O)[C@H]1C[C@@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC001346534637 1337486001 /nfs/dbraw/zinc/48/60/01/1337486001.db2.gz FLCMRHQZOXCIOL-DYNIEEOBSA-N 0 3 339.319 2.274 20 5 EEBDHN CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589289043 1348980033 /nfs/dbraw/zinc/98/00/33/1348980033.db2.gz WZXUPMHXMHWBKU-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589289043 1348980037 /nfs/dbraw/zinc/98/00/37/1348980037.db2.gz WZXUPMHXMHWBKU-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001607083123 1351411062 /nfs/dbraw/zinc/41/10/62/1351411062.db2.gz XLUDMCQZAJWEJH-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001607083123 1351411065 /nfs/dbraw/zinc/41/10/65/1351411065.db2.gz XLUDMCQZAJWEJH-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001607083123 1351411067 /nfs/dbraw/zinc/41/10/67/1351411067.db2.gz XLUDMCQZAJWEJH-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001607083123 1351411071 /nfs/dbraw/zinc/41/10/71/1351411071.db2.gz XLUDMCQZAJWEJH-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN CC(COC(=O)COc1cccc(NC(=O)c2ccco2)c1)[N+](=O)[O-] ZINC000813102597 1367762812 /nfs/dbraw/zinc/76/28/12/1367762812.db2.gz STWAXJOYCDHSSX-NSHDSACASA-N 0 3 348.311 2.119 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC001116039081 1371718623 /nfs/dbraw/zinc/71/86/23/1371718623.db2.gz KQMGLMSIAPFOOR-KGLIPLIRSA-N 0 3 341.433 2.054 20 5 EEBDHN CCN(CCNC(=O)Cc1nc[nH]c1C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100577566 1373081695 /nfs/dbraw/zinc/08/16/95/1373081695.db2.gz FUBFMBJOGLZJEW-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN CN1CC[C@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001167270389 757608781 /nfs/dbraw/zinc/60/87/81/757608781.db2.gz SDVFTMRHVDXMHY-LBPRGKRZSA-N 0 3 341.371 2.358 20 5 EEBDHN CN1CCC(NC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000920310150 770664162 /nfs/dbraw/zinc/66/41/62/770664162.db2.gz VIYKPDANAWLTES-UHFFFAOYSA-N 0 3 343.840 2.133 20 5 EEBDHN CC(C)c1nnsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135620187 784067174 /nfs/dbraw/zinc/06/71/74/784067174.db2.gz NGKBFODZGNKIGN-UHFFFAOYSA-N 0 3 349.416 2.089 20 5 EEBDHN CN(C)CCn1nccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000908360670 785356097 /nfs/dbraw/zinc/35/60/97/785356097.db2.gz SJFKWKUFSFQLKL-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN COc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845874228 789971087 /nfs/dbraw/zinc/97/10/87/789971087.db2.gz GKDJFZLUBIQVEP-OTYXRUKQSA-N 0 3 337.307 2.131 20 5 EEBDHN CCc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)no1 ZINC001171548988 796636202 /nfs/dbraw/zinc/63/62/02/796636202.db2.gz QCUKWPJYFOYAMD-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC001086011047 801923705 /nfs/dbraw/zinc/92/37/05/801923705.db2.gz HAOGPUIQQWZAPY-AKAXFMLLSA-N 0 3 347.415 2.006 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC(n3cnnc3)CC2)c([N+](=O)[O-])c1 ZINC001170352676 809901308 /nfs/dbraw/zinc/90/13/08/809901308.db2.gz PXHXUVMAMYDTCR-ZDUSSCGKSA-N 0 3 345.403 2.463 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@H]2CNCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572779 813015823 /nfs/dbraw/zinc/01/58/23/813015823.db2.gz SBWKAQJCJPSCPN-SWLSCSKDSA-N 0 3 343.387 2.149 20 5 EEBDHN Cc1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001131601017 813016982 /nfs/dbraw/zinc/01/69/82/813016982.db2.gz GGAIAKNJKLVQSG-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826951 1119513848 /nfs/dbraw/zinc/51/38/48/1119513848.db2.gz NSTGUUVFNLKIIV-VWYCJHECSA-N 0 3 325.796 2.388 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814060 234334320 /nfs/dbraw/zinc/33/43/20/234334320.db2.gz CDRGPSYXIOMNAK-DZGCQCFKSA-N 0 3 338.404 2.110 20 5 EEBDHN COc1ccc(OCCN[C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183343117 235020110 /nfs/dbraw/zinc/02/01/10/235020110.db2.gz YTKQVBXEFZOXCY-LLVKDONJSA-N 0 3 334.376 2.375 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)Cn3cccn3)C2)cc1 ZINC000451542748 243150039 /nfs/dbraw/zinc/15/00/39/243150039.db2.gz ADBQANZBENUFCO-RDJZCZTQSA-N 0 3 330.388 2.032 20 5 EEBDHN CC(COC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)[N+](=O)[O-] ZINC000496192184 247372197 /nfs/dbraw/zinc/37/21/97/247372197.db2.gz BPMYOVZURUNSSX-LLVKDONJSA-N 0 3 330.381 2.280 20 5 EEBDHN CC[C@H]1c2ccsc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457348 248309850 /nfs/dbraw/zinc/30/98/50/248309850.db2.gz PLGVXMAJHKWPQE-JSGCOSHPSA-N 0 3 336.417 2.223 20 5 EEBDHN CN1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927636 207275299 /nfs/dbraw/zinc/27/52/99/207275299.db2.gz WKZPRADHQQIMFN-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](N2CCCC2)C1 ZINC000062984523 285083805 /nfs/dbraw/zinc/08/38/05/285083805.db2.gz NKWGCAMUKUQDAC-LLVKDONJSA-N 0 3 341.209 2.427 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CC2)OCc2ccccc23)c1 ZINC000366118408 285189237 /nfs/dbraw/zinc/18/92/37/285189237.db2.gz IGASJDSQDZBBOH-UHFFFAOYSA-N 0 3 328.372 2.313 20 5 EEBDHN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000195518844 256012774 /nfs/dbraw/zinc/01/27/74/256012774.db2.gz DRIHDLSIYWBISK-UHFFFAOYSA-N 0 3 331.376 2.179 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150630 256119406 /nfs/dbraw/zinc/11/94/06/256119406.db2.gz MOXXLMDEMHVOKL-BMIGLBTASA-N 0 3 330.388 2.374 20 5 EEBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000270611446 256153252 /nfs/dbraw/zinc/15/32/52/256153252.db2.gz ZFVWJSYHMJDGSZ-OAHLLOKOSA-N 0 3 345.399 2.466 20 5 EEBDHN Cc1nccn1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270658312 256158004 /nfs/dbraw/zinc/15/80/04/256158004.db2.gz QAYHQXJIMROWNG-UHFFFAOYSA-N 0 3 329.404 2.312 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067997 256204565 /nfs/dbraw/zinc/20/45/65/256204565.db2.gz DLFZGROERHLTTA-VXGBXAGGSA-N 0 3 342.417 2.079 20 5 EEBDHN CN(C(=O)CN[C@@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058121 256261333 /nfs/dbraw/zinc/26/13/33/256261333.db2.gz LWUKXFBZMCYNIA-IRXDYDNUSA-N 0 3 333.388 2.105 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076495 256263430 /nfs/dbraw/zinc/26/34/30/256263430.db2.gz POYUXDPMOQZGHV-IRXDYDNUSA-N 0 3 349.387 2.089 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054647067 292139926 /nfs/dbraw/zinc/13/99/26/292139926.db2.gz RESJIHPKDMMFSL-CQSZACIVSA-N 0 3 334.420 2.168 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000061158532 292150773 /nfs/dbraw/zinc/15/07/73/292150773.db2.gz DBCXBNLKJYENSP-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN CCOC(=O)c1ccnc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000077927278 292190760 /nfs/dbraw/zinc/19/07/60/292190760.db2.gz BYHRETKTIRCNKT-UHFFFAOYSA-N 0 3 336.392 2.454 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000089899059 292213829 /nfs/dbraw/zinc/21/38/29/292213829.db2.gz BNQQXJRSLUPWEL-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN CC1CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067795675 159013818 /nfs/dbraw/zinc/01/38/18/159013818.db2.gz CDMWNYYLHNMAAV-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000346014168 161350076 /nfs/dbraw/zinc/35/00/76/161350076.db2.gz RLGXRDJLOHNQSO-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN C[C@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000346645054 161388423 /nfs/dbraw/zinc/38/84/23/161388423.db2.gz NTXZRTUGWDJIGP-GFCCVEGCSA-N 0 3 327.812 2.137 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000355321323 163144426 /nfs/dbraw/zinc/14/44/26/163144426.db2.gz POWOMUZNSCOICQ-UHFFFAOYSA-N 0 3 336.436 2.443 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000360868440 164393500 /nfs/dbraw/zinc/39/35/00/164393500.db2.gz AXNYAYMDPPNVHQ-GOSISDBHSA-N 0 3 342.399 2.347 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375757877 167186768 /nfs/dbraw/zinc/18/67/68/167186768.db2.gz MUXNWYIYRVOCII-HOCLYGCPSA-N 0 3 346.431 2.400 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272670517 269006976 /nfs/dbraw/zinc/00/69/76/269006976.db2.gz SZJYTISOTHQRMD-RHSMWYFYSA-N 0 3 346.431 2.340 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000279285616 269267577 /nfs/dbraw/zinc/26/75/77/269267577.db2.gz XIBSFXNJQUXVCN-LLVKDONJSA-N 0 3 336.367 2.017 20 5 EEBDHN Cc1cc(N[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322414764 274719872 /nfs/dbraw/zinc/71/98/72/274719872.db2.gz XEUDUNIFNURKDK-NSHDSACASA-N 0 3 335.385 2.441 20 5 EEBDHN CCCC[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000288398514 275054272 /nfs/dbraw/zinc/05/42/72/275054272.db2.gz MKPPETXRSHEMTN-NSHDSACASA-N 0 3 347.412 2.133 20 5 EEBDHN CCCC[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000288398514 275054274 /nfs/dbraw/zinc/05/42/74/275054274.db2.gz MKPPETXRSHEMTN-NSHDSACASA-N 0 3 347.412 2.133 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487791 275063339 /nfs/dbraw/zinc/06/33/39/275063339.db2.gz RIKNWAUSBQBDLH-ZFWWWQNUSA-N 0 3 346.431 2.360 20 5 EEBDHN Cc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000290726870 275233592 /nfs/dbraw/zinc/23/35/92/275233592.db2.gz ZRXSGMGUDPQECG-CQSZACIVSA-N 0 3 343.387 2.112 20 5 EEBDHN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC(C)CC1 ZINC000180528397 275670737 /nfs/dbraw/zinc/67/07/37/275670737.db2.gz FMDNUYHMQPRDNZ-OAHLLOKOSA-N 0 3 349.435 2.058 20 5 EEBDHN C[C@H]1CN(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263768471 278430744 /nfs/dbraw/zinc/43/07/44/278430744.db2.gz RXNRJJYXUUHNMT-KBPBESRZSA-N 0 3 334.420 2.315 20 5 EEBDHN Cc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364602280 281229199 /nfs/dbraw/zinc/22/91/99/281229199.db2.gz AQOBIIQVGNWCDR-JKSUJKDBSA-N 0 3 332.448 2.365 20 5 EEBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C ZINC000283859219 293002783 /nfs/dbraw/zinc/00/27/83/293002783.db2.gz HJZPAXKYLMLGHN-JTQLQIEISA-N 0 3 326.372 2.022 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000537324731 318015979 /nfs/dbraw/zinc/01/59/79/318015979.db2.gz FEVHQPHYOCTGJV-CQSZACIVSA-N 0 3 335.404 2.130 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549697138 318439182 /nfs/dbraw/zinc/43/91/82/318439182.db2.gz YHPVGCIXIAIDFU-HNNXBMFYSA-N 0 3 332.356 2.133 20 5 EEBDHN CN1CCCC[C@H]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000576398792 320168197 /nfs/dbraw/zinc/16/81/97/320168197.db2.gz ZJYHZYNIAZMVQN-LBPRGKRZSA-N 0 3 332.360 2.286 20 5 EEBDHN Cc1noc(C)c1C[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860329 320280554 /nfs/dbraw/zinc/28/05/54/320280554.db2.gz XKHHMAQEKBESLA-FZMZJTMJSA-N 0 3 349.387 2.160 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000491352091 448002477 /nfs/dbraw/zinc/00/24/77/448002477.db2.gz NBMJEJVVEXRKSO-YVMONPNESA-N 0 3 329.360 2.005 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120573218 463014138 /nfs/dbraw/zinc/01/41/38/463014138.db2.gz CZVHBHGRMHNPEG-AWEZNQCLSA-N 0 3 334.420 2.311 20 5 EEBDHN COc1cc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688326 465169899 /nfs/dbraw/zinc/16/98/99/465169899.db2.gz VAPYDIMUHJFIKU-JSGCOSHPSA-N 0 3 347.371 2.089 20 5 EEBDHN CCOCC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521228124 468297701 /nfs/dbraw/zinc/29/77/01/468297701.db2.gz LGMTXKJGHYWWIS-ZDUSSCGKSA-N 0 3 336.310 2.491 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000045744244 462611896 /nfs/dbraw/zinc/61/18/96/462611896.db2.gz DPNOXAXHJHFALY-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000017794023 463001139 /nfs/dbraw/zinc/00/11/39/463001139.db2.gz XAXSUQAPOSLOFZ-QGZVFWFLSA-N 0 3 327.384 2.498 20 5 EEBDHN Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017367 463001436 /nfs/dbraw/zinc/00/14/36/463001436.db2.gz ABLFFFRBXDIFPH-KRWDZBQOSA-N 0 3 333.432 2.447 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121236016 463102635 /nfs/dbraw/zinc/10/26/35/463102635.db2.gz UZEOOMWCAYFAGV-DOMZBBRYSA-N 0 3 337.445 2.486 20 5 EEBDHN CCCN1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583372 463176525 /nfs/dbraw/zinc/17/65/25/463176525.db2.gz NEOKWSZDORUFHY-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000121984204 463227808 /nfs/dbraw/zinc/22/78/08/463227808.db2.gz ODKBNDBWDZUCLX-MJBXVCDLSA-N 0 3 334.420 2.384 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124636159 463445521 /nfs/dbraw/zinc/44/55/21/463445521.db2.gz XYLNIRPGZGOUFJ-CQSZACIVSA-N 0 3 330.388 2.219 20 5 EEBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N(C)C1CC1 ZINC000057705266 463510465 /nfs/dbraw/zinc/51/04/65/463510465.db2.gz GHIQEJBMOSMVFB-LBPRGKRZSA-N 0 3 330.388 2.148 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000287184682 463826819 /nfs/dbraw/zinc/82/68/19/463826819.db2.gz TYUJLDUJDCNBEP-HIFRSBDPSA-N 0 3 346.431 2.404 20 5 EEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269021 463852797 /nfs/dbraw/zinc/85/27/97/463852797.db2.gz SENGCRKAKJVJSM-QMTHXVAHSA-N 0 3 336.367 2.015 20 5 EEBDHN C[C@@H]1CCSCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347145 464091140 /nfs/dbraw/zinc/09/11/40/464091140.db2.gz VFRRTVCWBHNIFE-OLZOCXBDSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)c1C ZINC000237779187 464378128 /nfs/dbraw/zinc/37/81/28/464378128.db2.gz YRKAPYXNSSJADI-UHFFFAOYSA-N 0 3 341.433 2.152 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000281751624 464571894 /nfs/dbraw/zinc/57/18/94/464571894.db2.gz YPSYHJRBBWXNNW-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN(C2CC2)C1 ZINC000294970844 464666590 /nfs/dbraw/zinc/66/65/90/464666590.db2.gz OIXKVLZCCNWGKC-GFCCVEGCSA-N 0 3 344.415 2.400 20 5 EEBDHN COc1ccc(CC(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593884108 468420098 /nfs/dbraw/zinc/42/00/98/468420098.db2.gz RBLRCZNGFCVVKJ-UHFFFAOYSA-N 0 3 335.404 2.090 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850682 464717681 /nfs/dbraw/zinc/71/76/81/464717681.db2.gz PHRCQEDLPXSCRC-UKRRQHHQSA-N 0 3 333.388 2.059 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000273870661 464726616 /nfs/dbraw/zinc/72/66/16/464726616.db2.gz QAQJLXZRBXXHCQ-DLBZAZTESA-N 0 3 330.388 2.379 20 5 EEBDHN Cc1c([C@H](C)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000183454262 464866905 /nfs/dbraw/zinc/86/69/05/464866905.db2.gz SCBPQDIEIJIVMK-WOSRLPQWSA-N 0 3 335.404 2.190 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000192674654 464974155 /nfs/dbraw/zinc/97/41/55/464974155.db2.gz HRZPXKLBGROUTL-CHWSQXEVSA-N 0 3 339.440 2.421 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000295903866 465000407 /nfs/dbraw/zinc/00/04/07/465000407.db2.gz GTRJNTHKIWUVRL-IAGOWNOFSA-N 0 3 342.399 2.379 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000192799517 465000996 /nfs/dbraw/zinc/00/09/96/465000996.db2.gz KXLBGHYUTHZKCQ-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN CC(C)N1CCN(CCCN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192963223 465019781 /nfs/dbraw/zinc/01/97/81/465019781.db2.gz AAIOMOOTGDZDTM-UHFFFAOYSA-N 0 3 334.464 2.443 20 5 EEBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(C)CC1 ZINC000298656949 465462762 /nfs/dbraw/zinc/46/27/62/465462762.db2.gz GXHYJFLQDWZSNY-LLVKDONJSA-N 0 3 340.811 2.213 20 5 EEBDHN Cc1cc(NC[C@@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360934598 465644203 /nfs/dbraw/zinc/64/42/03/465644203.db2.gz NFMNMLFAVAKWTH-CQSZACIVSA-N 0 3 331.372 2.073 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000299223652 465654086 /nfs/dbraw/zinc/65/40/86/465654086.db2.gz ONUXGASVHANPGU-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346244060 466024339 /nfs/dbraw/zinc/02/43/39/466024339.db2.gz ULTBTOXDPACRSE-HEHGZKQESA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000332051123 466362137 /nfs/dbraw/zinc/36/21/37/466362137.db2.gz NAGXOGBRMZNQCX-GXTWGEPZSA-N 0 3 330.388 2.148 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000367535506 466398910 /nfs/dbraw/zinc/39/89/10/466398910.db2.gz IQZUGRULKUSYKD-GJZGRUSLSA-N 0 3 347.415 2.113 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000423702384 466808259 /nfs/dbraw/zinc/80/82/59/466808259.db2.gz YDOODGXGWPMPRL-LBPRGKRZSA-N 0 3 345.371 2.434 20 5 EEBDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411785783 466901047 /nfs/dbraw/zinc/90/10/47/466901047.db2.gz BWSOEDVZYNPJPJ-HNNXBMFYSA-N 0 3 334.420 2.340 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424112691 466982817 /nfs/dbraw/zinc/98/28/17/466982817.db2.gz LCLZBBTXTXRZIK-WMLDXEAASA-N 0 3 340.383 2.269 20 5 EEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452037469 467311096 /nfs/dbraw/zinc/31/10/96/467311096.db2.gz UVYNDPLECQLXTK-HZPDHXFCSA-N 0 3 335.404 2.495 20 5 EEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107280 467324759 /nfs/dbraw/zinc/32/47/59/467324759.db2.gz AUVTZDXGCGVEGN-SWLSCSKDSA-N 0 3 333.388 2.280 20 5 EEBDHN CN(CCCNC(=O)C1CCC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000429549871 467345134 /nfs/dbraw/zinc/34/51/34/467345134.db2.gz VMMMXJZCMIPMBE-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000458222615 467792211 /nfs/dbraw/zinc/79/22/11/467792211.db2.gz LLIZDVFYPIHWNW-UHFFFAOYSA-N 0 3 348.428 2.443 20 5 EEBDHN C[C@@H]1[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1C ZINC000450573310 467872666 /nfs/dbraw/zinc/87/26/66/467872666.db2.gz WYRKXXGYFHXNHC-NEPJUHHUSA-N 0 3 343.387 2.150 20 5 EEBDHN COc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197800 468509810 /nfs/dbraw/zinc/50/98/10/468509810.db2.gz PWEYRUIJNZYPHL-CABCVRRESA-N 0 3 347.415 2.279 20 5 EEBDHN COc1c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597709753 468647306 /nfs/dbraw/zinc/64/73/06/468647306.db2.gz BDEYQYMEIWTDBY-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000595298725 468805713 /nfs/dbraw/zinc/80/57/13/468805713.db2.gz RZSBMAJSMUKRQL-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598341984 468836927 /nfs/dbraw/zinc/83/69/27/468836927.db2.gz JTDSMLZFIVTPJX-SNVBAGLBSA-N 0 3 343.330 2.410 20 5 EEBDHN COC(=O)c1ccnc(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598632048 468939529 /nfs/dbraw/zinc/93/95/29/468939529.db2.gz ZBFYJLQNDUVFRJ-QWHCGFSZSA-N 0 3 334.376 2.205 20 5 EEBDHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586771824 469062663 /nfs/dbraw/zinc/06/26/63/469062663.db2.gz QGADCRQXGOMBAY-OAHLLOKOSA-N 0 3 343.387 2.275 20 5 EEBDHN COC[C@@H](Cc1ccccc1)N(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814364 469092336 /nfs/dbraw/zinc/09/23/36/469092336.db2.gz DRDFXNMSZMQYLP-MRXNPFEDSA-N 0 3 332.404 2.289 20 5 EEBDHN CCC(CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N(C)C ZINC000596071109 469140109 /nfs/dbraw/zinc/14/01/09/469140109.db2.gz WCTVJSJRSGETGH-HNNXBMFYSA-N 0 3 347.419 3.022 20 5 EEBDHN COc1cc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1C ZINC000596222802 469211012 /nfs/dbraw/zinc/21/10/12/469211012.db2.gz MKRICESTJIQANY-UHFFFAOYSA-N 0 3 336.436 2.350 20 5 EEBDHN CN(CCCNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000618898153 469463322 /nfs/dbraw/zinc/46/33/22/469463322.db2.gz CHSJCOACWBJTKA-UHFFFAOYSA-N 0 3 330.388 2.185 20 5 EEBDHN COc1ccc(CC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000609347935 469921820 /nfs/dbraw/zinc/92/18/20/469921820.db2.gz GTXMVITYLAVPNU-OAHLLOKOSA-N 0 3 347.415 2.233 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609396859 469925489 /nfs/dbraw/zinc/92/54/89/469925489.db2.gz KMTNJWLFOCPLDM-GFCCVEGCSA-N 0 3 334.376 2.209 20 5 EEBDHN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000181895177 534220655 /nfs/dbraw/zinc/22/06/55/534220655.db2.gz RPPGQIFDFAEPST-AVGNSLFASA-N 0 3 326.418 2.160 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccncc2)CC1 ZINC000191631553 534321636 /nfs/dbraw/zinc/32/16/36/534321636.db2.gz RQHCNVYJYQDOKQ-UHFFFAOYSA-N 0 3 328.372 2.031 20 5 EEBDHN Cn1cc(CNCCOCC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190900599 534734077 /nfs/dbraw/zinc/73/40/77/534734077.db2.gz FFPMOBMAFWVHIO-UHFFFAOYSA-N 0 3 340.330 2.367 20 5 EEBDHN CC(C)OC(=O)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181832015 527798589 /nfs/dbraw/zinc/79/85/89/527798589.db2.gz UIGUZHZBTAXVBX-MRXNPFEDSA-N 0 3 346.387 2.464 20 5 EEBDHN CC1([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183875677 528056920 /nfs/dbraw/zinc/05/69/20/528056920.db2.gz UXSOOTXRNNEGOZ-AWEZNQCLSA-N 0 3 336.388 2.449 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCC2)C1 ZINC000727113374 576406701 /nfs/dbraw/zinc/40/67/01/576406701.db2.gz IFUVWGAQZNCSII-HNNXBMFYSA-N 0 3 344.415 2.162 20 5 EEBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774528379 577402324 /nfs/dbraw/zinc/40/23/24/577402324.db2.gz DMKJFTSNSSKVTB-GFCCVEGCSA-N 0 3 332.404 2.241 20 5 EEBDHN Cc1nn(CN2CC[C@H](c3nccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791765 577831581 /nfs/dbraw/zinc/83/15/81/577831581.db2.gz SFVSLARTPJNJRT-ZDUSSCGKSA-N 0 3 340.387 2.433 20 5 EEBDHN CC(C)N1CC[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892036066 677932482 /nfs/dbraw/zinc/93/24/82/677932482.db2.gz RDIWZUJIWZQXOQ-LBPRGKRZSA-N 0 3 330.388 2.341 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000894395291 682801978 /nfs/dbraw/zinc/80/19/78/682801978.db2.gz CNVRHWBNYQHTJI-CVEARBPZSA-N 0 3 332.404 2.281 20 5 EEBDHN COc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000892775350 683030618 /nfs/dbraw/zinc/03/06/18/683030618.db2.gz ZMSYBXFAWPFAEU-KRWDZBQOSA-N 0 3 333.388 2.126 20 5 EEBDHN Cn1c2ccccc2c(N2[C@@H]3CC[C@H]2CCN(C)C3)c([N+](=O)[O-])c1=O ZINC000895193037 684273169 /nfs/dbraw/zinc/27/31/69/684273169.db2.gz RCERYZGQEDDNPX-QWHCGFSZSA-N 0 3 342.399 2.120 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncsc1C1CC1 ZINC001133776580 1199033389 /nfs/dbraw/zinc/03/33/89/1199033389.db2.gz DTURQBDTHUSGST-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN CC(C)c1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001131986429 1199172422 /nfs/dbraw/zinc/17/24/22/1199172422.db2.gz SDMXAWZTZPTDPN-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CC(COC(=O)c1cccc(NC(=O)c2cccnc2)c1)[N+](=O)[O-] ZINC000813104552 1201097533 /nfs/dbraw/zinc/09/75/33/1201097533.db2.gz OKOBTRQQPSUNDL-LLVKDONJSA-N 0 3 329.312 2.156 20 5 EEBDHN CC(C)c1ccc(N2CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813113545 1201124845 /nfs/dbraw/zinc/12/48/45/1201124845.db2.gz RLAWAHWFQYDBCD-DOMZBBRYSA-N 0 3 334.372 2.371 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295697 1201486336 /nfs/dbraw/zinc/48/63/36/1201486336.db2.gz APTUDYUKWFNJKB-WDEREUQCSA-N 0 3 332.397 2.078 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000866369687 1201501361 /nfs/dbraw/zinc/50/13/61/1201501361.db2.gz NCZBZRFIFMHZDB-BYCMXARLSA-N 0 3 335.379 2.408 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](Cn2ccnc2)c2ccccc2)c1 ZINC000880569184 1201525408 /nfs/dbraw/zinc/52/54/08/1201525408.db2.gz JHKYFCMWGSWJIO-MRXNPFEDSA-N 0 3 326.360 2.019 20 5 EEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924476425 1205981789 /nfs/dbraw/zinc/98/17/89/1205981789.db2.gz SYQVMOCAKJXXEG-SWLSCSKDSA-N 0 3 346.387 2.062 20 5 EEBDHN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000935316173 1208131877 /nfs/dbraw/zinc/13/18/77/1208131877.db2.gz QLWDKLRBPBLNBS-JCURWCKSSA-N 0 3 329.400 2.465 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC2CCC(F)(F)CC2)C1 ZINC000950056289 1210001775 /nfs/dbraw/zinc/00/17/75/1210001775.db2.gz ZPEHJGLWEIZUEU-ZIAGYGMSSA-N 0 3 345.390 2.010 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)c2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000900964884 1235053953 /nfs/dbraw/zinc/05/39/53/1235053953.db2.gz BDSQRQXGYIPMLJ-ZDUSSCGKSA-N 0 3 345.403 2.152 20 5 EEBDHN O=[N+]([O-])c1ccc2ncc(N[C@H]3CCCC[C@@]34CNCCO4)nc2c1 ZINC001155823673 1317748756 /nfs/dbraw/zinc/74/87/56/1317748756.db2.gz CSORKRGROYSGAE-DOTOQJQBSA-N 0 3 343.387 2.251 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccncc1F ZINC001156086845 1317871151 /nfs/dbraw/zinc/87/11/51/1317871151.db2.gz MONQKKHLOKVBPF-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN CC(C)C(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598604 1318139097 /nfs/dbraw/zinc/13/90/97/1318139097.db2.gz IFRIBTIRCAETQX-KRWDZBQOSA-N 0 3 331.416 2.299 20 5 EEBDHN CC(C)N1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165200029 1321469980 /nfs/dbraw/zinc/46/99/80/1321469980.db2.gz SKPGVYAHCDOXID-LMVHVUTASA-N 0 3 333.436 2.441 20 5 EEBDHN O=[N+]([O-])c1c[nH]c2ncnc(NCC3CN(Cc4ccccc4)C3)c12 ZINC001165426796 1321523447 /nfs/dbraw/zinc/52/34/47/1321523447.db2.gz BKGMCPZPUZDDHN-UHFFFAOYSA-N 0 3 338.371 2.362 20 5 EEBDHN CC/C=C(/C)C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001204663142 1322205225 /nfs/dbraw/zinc/20/52/25/1322205225.db2.gz SWCPBZJDSLSHOZ-ACAGNQJTSA-N 0 3 349.435 2.013 20 5 EEBDHN Cn1cc(N2CC[C@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC001320577296 1332914557 /nfs/dbraw/zinc/91/45/57/1332914557.db2.gz XSHGKKAMLRIMDV-LBPRGKRZSA-N 0 3 335.795 2.350 20 5 EEBDHN CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+](C)C ZINC001609093098 1351839508 /nfs/dbraw/zinc/83/95/08/1351839508.db2.gz OZZYESOEHJUXQI-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+](C)C ZINC001609093098 1351839510 /nfs/dbraw/zinc/83/95/10/1351839510.db2.gz OZZYESOEHJUXQI-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609213193 1351894658 /nfs/dbraw/zinc/89/46/58/1351894658.db2.gz OLGZQESQRYZNCW-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609213193 1351894661 /nfs/dbraw/zinc/89/46/61/1351894661.db2.gz OLGZQESQRYZNCW-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CN(C)CCn1nccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001332411484 1335819678 /nfs/dbraw/zinc/81/96/78/1335819678.db2.gz XTYAKSXMINXAHN-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)CC1 ZINC001339339096 1336990635 /nfs/dbraw/zinc/99/06/35/1336990635.db2.gz KANKFCDGSFCCKK-LBPRGKRZSA-N 0 3 348.407 2.387 20 5 EEBDHN CC(COC(=O)c1ccccc1[S@](=O)C(F)(F)F)[N+](=O)[O-] ZINC001348534323 1337558327 /nfs/dbraw/zinc/55/83/27/1337558327.db2.gz UNWTVAMRFFMCPC-SGWXMTNESA-N 0 3 325.264 2.136 20 5 EEBDHN C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876079 1349054251 /nfs/dbraw/zinc/05/42/51/1349054251.db2.gz NRFTWPXCDZINRY-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876079 1349054257 /nfs/dbraw/zinc/05/42/57/1349054257.db2.gz NRFTWPXCDZINRY-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN CCCn1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001135710230 784277387 /nfs/dbraw/zinc/27/73/87/784277387.db2.gz YWYQCPPFQLWVFI-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN CC(C)(CC(F)F)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129162349 784329089 /nfs/dbraw/zinc/32/90/89/784329089.db2.gz FXEPKHQZQJLUJB-UHFFFAOYSA-N 0 3 329.347 2.482 20 5 EEBDHN Cc1cc(NCCCN(C)C(=O)C2(N(C)C)CCC2)ncc1[N+](=O)[O-] ZINC001109547568 805650113 /nfs/dbraw/zinc/65/01/13/805650113.db2.gz GISSNFFIXNZWQA-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC([C@H](OC(=O)CNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872193 789971178 /nfs/dbraw/zinc/97/11/78/789971178.db2.gz DMXKNBRBTKNDGR-HZMBPMFUSA-N 0 3 340.351 2.238 20 5 EEBDHN CC([C@H](OC(=O)CCc1cnccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877722 789972572 /nfs/dbraw/zinc/97/25/72/789972572.db2.gz GGSRMAVFSCIOAA-BZNIZROVSA-N 0 3 333.319 2.498 20 5 EEBDHN CCc1ccnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001128009035 791513336 /nfs/dbraw/zinc/51/33/36/791513336.db2.gz GTQAMGFFDVQAGZ-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN CN(C)C1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009880 797195495 /nfs/dbraw/zinc/19/54/95/797195495.db2.gz IUTQYLUFPLPYOL-UHFFFAOYSA-N 0 3 340.374 2.088 20 5 EEBDHN CN(C1COC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018260 797199012 /nfs/dbraw/zinc/19/90/12/797199012.db2.gz QPKGKVZDBYDYKH-UHFFFAOYSA-N 0 3 327.331 2.172 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(N3CCCC3)C2)c1F ZINC001173191040 797282078 /nfs/dbraw/zinc/28/20/78/797282078.db2.gz ZUGOYAIZCWCHHF-LBPRGKRZSA-N 0 3 337.395 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000916967668 798003252 /nfs/dbraw/zinc/00/32/52/798003252.db2.gz UJSISICWUXFHTI-HUUCEWRRSA-N 0 3 338.310 2.230 20 5 EEBDHN CC(C)(C)OC(=O)N1CCC2(CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013411 803571427 /nfs/dbraw/zinc/57/14/27/803571427.db2.gz UXDRSNVOWFRAEC-KGLIPLIRSA-N 0 3 339.436 2.375 20 5 EEBDHN COc1ccc(C[C@H](C)NCc2ccc(OC)nn2)c([N+](=O)[O-])c1 ZINC001170304299 809873420 /nfs/dbraw/zinc/87/34/20/809873420.db2.gz BDIBZSZTVSHWEC-NSHDSACASA-N 0 3 332.360 2.123 20 5 EEBDHN COCc1sccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130255900 811354875 /nfs/dbraw/zinc/35/48/75/811354875.db2.gz YTTIOXYZRIFALF-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H](C)[C@H]1CNCCO1 ZINC001170571564 812985719 /nfs/dbraw/zinc/98/57/19/812985719.db2.gz MYAHLPGNDSTFAQ-JOYOIKCWSA-N 0 3 329.784 2.354 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027765703 201063831 /nfs/dbraw/zinc/06/38/31/201063831.db2.gz YFFLOMVNIWBKOI-NSHDSACASA-N 0 3 331.376 2.075 20 5 EEBDHN Nc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000193497303 240187548 /nfs/dbraw/zinc/18/75/48/240187548.db2.gz VYVBMXPODIXRJQ-INIZCTEOSA-N 0 3 342.399 2.356 20 5 EEBDHN CS[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451322589 243078995 /nfs/dbraw/zinc/07/89/95/243078995.db2.gz GDITUXJBZLPBCE-LBPRGKRZSA-N 0 3 337.401 2.330 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459764434 245239991 /nfs/dbraw/zinc/23/99/91/245239991.db2.gz ONUPXJZADPDSEN-HUUCEWRRSA-N 0 3 349.387 2.089 20 5 EEBDHN Cc1c(CN(C)C[C@@H](O)COCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265220035 247310480 /nfs/dbraw/zinc/31/04/80/247310480.db2.gz GOBLQIDUVGBJGG-MRXNPFEDSA-N 0 3 340.420 2.138 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174952319 207075629 /nfs/dbraw/zinc/07/56/29/207075629.db2.gz IUJQTFJSLWGLLT-KRWDZBQOSA-N 0 3 343.431 2.388 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000176695396 207251618 /nfs/dbraw/zinc/25/16/18/207251618.db2.gz XHTDQCPZSDUCOB-HUUCEWRRSA-N 0 3 349.431 2.143 20 5 EEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270545637 256146239 /nfs/dbraw/zinc/14/62/39/256146239.db2.gz YPSXDOAWGMATGH-HFBAOOFYSA-N 0 3 331.372 2.081 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N(C)C ZINC000271178773 256216604 /nfs/dbraw/zinc/21/66/04/256216604.db2.gz UHLCOFHFXYMFRI-WFASDCNBSA-N 0 3 349.412 2.459 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N(C)C ZINC000271178770 256216307 /nfs/dbraw/zinc/21/63/07/256216307.db2.gz UHLCOFHFXYMFRI-DOMZBBRYSA-N 0 3 349.412 2.459 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000271725244 256238006 /nfs/dbraw/zinc/23/80/06/256238006.db2.gz RBKVJSUDQHZRTC-GJZGRUSLSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273054848 256261262 /nfs/dbraw/zinc/26/12/62/256261262.db2.gz XUIGIOWODOCOSE-LBPRGKRZSA-N 0 3 335.429 2.454 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2ccncc2)CC1 ZINC000054131220 132190411 /nfs/dbraw/zinc/19/04/11/132190411.db2.gz HWACTVASSQSIDX-UHFFFAOYSA-N 0 3 330.319 2.091 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647806 292140232 /nfs/dbraw/zinc/14/02/32/292140232.db2.gz XBNCQPCIHGLIBF-UHFFFAOYSA-N 0 3 336.436 2.367 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000189078383 285968773 /nfs/dbraw/zinc/96/87/73/285968773.db2.gz AWOOBLSIXNQTIM-ZDUSSCGKSA-N 0 3 348.403 2.231 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000084381381 159166588 /nfs/dbraw/zinc/16/65/88/159166588.db2.gz XLYYZLGUIAEWLM-UHFFFAOYSA-N 0 3 348.428 2.443 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000342408447 161062910 /nfs/dbraw/zinc/06/29/10/161062910.db2.gz CDALOOYBEDUYNM-LXZKKBNFSA-N 0 3 335.379 2.471 20 5 EEBDHN CCc1cc(N[C@@H](C)CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343795850 161169229 /nfs/dbraw/zinc/16/92/29/161169229.db2.gz RRXPCIACEJMLAN-LBPRGKRZSA-N 0 3 329.404 2.398 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344099389 161198317 /nfs/dbraw/zinc/19/83/17/161198317.db2.gz AZCQMXKTYSVMRF-JGGQBBKZSA-N 0 3 335.379 2.471 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000344438431 161227551 /nfs/dbraw/zinc/22/75/51/161227551.db2.gz HYJJRHPMZWBEEU-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@H]1C ZINC000352803004 162292763 /nfs/dbraw/zinc/29/27/63/162292763.db2.gz NHWBBGHMCXSOGM-ZBFHGGJFSA-N 0 3 346.431 2.400 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000277623243 269164247 /nfs/dbraw/zinc/16/42/47/269164247.db2.gz WNJURGFUKAXUAB-HNNXBMFYSA-N 0 3 347.415 2.497 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000272092443 274165071 /nfs/dbraw/zinc/16/50/71/274165071.db2.gz YGUWURBDPUCAGD-HIFRSBDPSA-N 0 3 325.434 2.081 20 5 EEBDHN C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000455450646 274221694 /nfs/dbraw/zinc/22/16/94/274221694.db2.gz WXZGXOPTZQKJTP-ZFWWWQNUSA-N 0 3 334.420 2.434 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000277411176 274291014 /nfs/dbraw/zinc/29/10/14/274291014.db2.gz HWXNEAOSYGPTDC-SWLSCSKDSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600219 275074454 /nfs/dbraw/zinc/07/44/54/275074454.db2.gz YPDGTBFCTGQYIZ-IAQYHMDHSA-N 0 3 348.359 2.202 20 5 EEBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000290653314 275226316 /nfs/dbraw/zinc/22/63/16/275226316.db2.gz PBIFBKFFSSOVEV-LBPRGKRZSA-N 0 3 343.387 2.021 20 5 EEBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292776304 275477592 /nfs/dbraw/zinc/47/75/92/275477592.db2.gz VZTBCWWMMJCFHX-VIFPVBQESA-N 0 3 349.840 2.033 20 5 EEBDHN CN(C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000353841407 289126156 /nfs/dbraw/zinc/12/61/56/289126156.db2.gz DAPRTYVUDAEOAK-UHFFFAOYSA-N 0 3 345.403 2.418 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ccncc1 ZINC000338073866 290190236 /nfs/dbraw/zinc/19/02/36/290190236.db2.gz PRVGRNVYCKBPNB-LBPRGKRZSA-N 0 3 346.412 2.121 20 5 EEBDHN CCC(CC)(CCO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282555986 292833622 /nfs/dbraw/zinc/83/36/22/292833622.db2.gz XTCKIGRXCHTEKK-UHFFFAOYSA-N 0 3 335.404 2.015 20 5 EEBDHN Cc1ccc2c(c1)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000293523840 293230239 /nfs/dbraw/zinc/23/02/39/293230239.db2.gz WIWKJRPSMNOTBJ-QGZVFWFLSA-N 0 3 344.415 2.298 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000293656720 293262471 /nfs/dbraw/zinc/26/24/71/293262471.db2.gz HKKJCNULKPCNPL-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294139318 293380017 /nfs/dbraw/zinc/38/00/17/293380017.db2.gz MTVABLQTNKBBMT-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COC(=O)Cc1ccc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000297026586 294133183 /nfs/dbraw/zinc/13/31/83/294133183.db2.gz HCIXGVXKFGVCGC-CQSZACIVSA-N 0 3 335.404 2.088 20 5 EEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640218 312039008 /nfs/dbraw/zinc/03/90/08/312039008.db2.gz QUGIQVJZUNDCAJ-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN CC(=O)N[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420947822 314007099 /nfs/dbraw/zinc/00/70/99/314007099.db2.gz DCLGKJDRJSREAL-AWEZNQCLSA-N 0 3 344.371 2.003 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421004631 314020930 /nfs/dbraw/zinc/02/09/30/314020930.db2.gz OKKHSYOOOWSONX-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN COc1ccc(OCCN2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421008954 314021875 /nfs/dbraw/zinc/02/18/75/314021875.db2.gz DWRYXKBKULDWSB-AWEZNQCLSA-N 0 3 338.404 2.467 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000421785305 314164385 /nfs/dbraw/zinc/16/43/85/314164385.db2.gz KIUKWZFKVMHPOG-HNNXBMFYSA-N 0 3 349.431 2.034 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429235767 314474052 /nfs/dbraw/zinc/47/40/52/314474052.db2.gz RSEROACIPBRPCV-CYBMUJFWSA-N 0 3 341.367 2.304 20 5 EEBDHN CN(C)C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000445843936 315362334 /nfs/dbraw/zinc/36/23/34/315362334.db2.gz WBKGCIZDNVBHFD-UHFFFAOYSA-N 0 3 332.404 2.147 20 5 EEBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000452077979 315490785 /nfs/dbraw/zinc/49/07/85/315490785.db2.gz CTTFTHNHRGTRRR-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC(C)(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000516785444 316594081 /nfs/dbraw/zinc/59/40/81/316594081.db2.gz YGAXOPNKVZHDRF-ZDUSSCGKSA-N 0 3 326.418 2.385 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000540908450 318082714 /nfs/dbraw/zinc/08/27/14/318082714.db2.gz UFUOZRNNIJHKMV-JTQLQIEISA-N 0 3 343.330 2.268 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000543792469 318174472 /nfs/dbraw/zinc/17/44/72/318174472.db2.gz VKXCBVNIFFWABX-INIZCTEOSA-N 0 3 347.463 2.211 20 5 EEBDHN COC(=O)c1cc(C)nc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570993726 319716572 /nfs/dbraw/zinc/71/65/72/319716572.db2.gz ZZUXIRGRSODKNF-CYBMUJFWSA-N 0 3 348.403 2.149 20 5 EEBDHN Cn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000575847859 320118881 /nfs/dbraw/zinc/11/88/81/320118881.db2.gz KYTOXVJTHKYGQY-UHFFFAOYSA-N 0 3 326.303 2.435 20 5 EEBDHN CNc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000577813348 320276397 /nfs/dbraw/zinc/27/63/97/320276397.db2.gz FXIWPCVNTVBIKK-UHFFFAOYSA-N 0 3 334.420 2.488 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 ZINC000583436126 324661993 /nfs/dbraw/zinc/66/19/93/324661993.db2.gz SFEWRNWOIWSBCM-HNNXBMFYSA-N 0 3 332.356 2.003 20 5 EEBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)CO)cc2[N+](=O)[O-])cc1 ZINC000347510815 465066960 /nfs/dbraw/zinc/06/69/60/465066960.db2.gz XAJWPPAGBDBIPO-CQSZACIVSA-N 0 3 348.424 2.497 20 5 EEBDHN CC[C@@H]1CCCCN1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342136981 465294821 /nfs/dbraw/zinc/29/48/21/465294821.db2.gz VVUNTZPJWXQCBQ-GFCCVEGCSA-N 0 3 345.403 2.920 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000088230548 462618407 /nfs/dbraw/zinc/61/84/07/462618407.db2.gz FUHBPVFZVXWLAU-UHFFFAOYSA-N 0 3 347.371 2.157 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@H](C(C)C)N(C)C)c([N+](=O)[O-])c1 ZINC000129198738 462694388 /nfs/dbraw/zinc/69/43/88/462694388.db2.gz LITLBHJOUYJYNO-INIZCTEOSA-N 0 3 336.436 2.408 20 5 EEBDHN Cc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644997 462702680 /nfs/dbraw/zinc/70/26/80/462702680.db2.gz LXBKSPCWQHSVBW-HZPDHXFCSA-N 0 3 342.399 2.346 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000154513119 462778271 /nfs/dbraw/zinc/77/82/71/462778271.db2.gz QZLBCVWYJOFTAQ-UHFFFAOYSA-N 0 3 349.435 2.361 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171033 462945867 /nfs/dbraw/zinc/94/58/67/462945867.db2.gz OLTXTUZYMYJHDW-RHSMWYFYSA-N 0 3 331.372 2.500 20 5 EEBDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969840 462980919 /nfs/dbraw/zinc/98/09/19/462980919.db2.gz AIMQNDBLVYSWRH-AWEZNQCLSA-N 0 3 334.420 2.195 20 5 EEBDHN CC(C)N1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068779923 463175486 /nfs/dbraw/zinc/17/54/86/463175486.db2.gz FEOTWEWKVWWRBT-UHFFFAOYSA-N 0 3 331.376 2.027 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053749836 463186856 /nfs/dbraw/zinc/18/68/56/463186856.db2.gz NWJDTAADTTYYAA-JSGCOSHPSA-N 0 3 328.372 2.488 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148445345 463401185 /nfs/dbraw/zinc/40/11/85/463401185.db2.gz FGUIOPCCISNLCM-VXGBXAGGSA-N 0 3 349.387 2.174 20 5 EEBDHN CNc1cc(N2CCC[C@@H]2CNCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000105797638 463465909 /nfs/dbraw/zinc/46/59/09/463465909.db2.gz XMUOTGKDZXBJDH-OAHLLOKOSA-N 0 3 342.403 2.185 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057288170 463475601 /nfs/dbraw/zinc/47/56/01/463475601.db2.gz LWMXKTDLVNUPGS-OAHLLOKOSA-N 0 3 327.384 2.498 20 5 EEBDHN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057716181 463512525 /nfs/dbraw/zinc/51/25/25/463512525.db2.gz JGFZRTPKXJTPTG-CYBMUJFWSA-N 0 3 334.420 2.386 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccc(F)cc3)CC2)c1 ZINC000083423848 463545615 /nfs/dbraw/zinc/54/56/15/463545615.db2.gz RRHWBQREMRLMAI-KRWDZBQOSA-N 0 3 348.378 2.171 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCCC2)CC1 ZINC000152433128 463689543 /nfs/dbraw/zinc/68/95/43/463689543.db2.gz KKJJTAUOWMIQTA-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CCc1ccc([C@@H]2CNCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000261603772 463797453 /nfs/dbraw/zinc/79/74/53/463797453.db2.gz AWIJYJZPQOZIQC-HNNXBMFYSA-N 0 3 329.404 2.037 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287217265 463837950 /nfs/dbraw/zinc/83/79/50/463837950.db2.gz QBKZUXMZLRUPOT-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784896 463858673 /nfs/dbraw/zinc/85/86/73/463858673.db2.gz YFEQBIZJKOAJBS-WMLDXEAASA-N 0 3 335.404 2.052 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2c2cccc(Cl)c2)n1 ZINC000261886162 463888675 /nfs/dbraw/zinc/88/86/75/463888675.db2.gz VBYJLQDOSMKLMY-CQSZACIVSA-N 0 3 335.795 2.091 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000171927313 463952258 /nfs/dbraw/zinc/95/22/58/463952258.db2.gz KZODONHUXYVMHN-ZDUSSCGKSA-N 0 3 345.403 2.037 20 5 EEBDHN CC1(C)CCCN[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262301018 463995407 /nfs/dbraw/zinc/99/54/07/463995407.db2.gz XLYRHKJTSXWPQH-INIZCTEOSA-N 0 3 346.431 2.022 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186708287 464055160 /nfs/dbraw/zinc/05/51/60/464055160.db2.gz UCSAKNKXZLHWAS-UHFFFAOYSA-N 0 3 330.388 2.171 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CC2CCOCC2)CC1 ZINC000172425584 464078268 /nfs/dbraw/zinc/07/82/68/464078268.db2.gz LFMOMPFZSZRHLO-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534410 464153730 /nfs/dbraw/zinc/15/37/30/464153730.db2.gz PYIVDVCFAQSLJT-BBRMVZONSA-N 0 3 348.403 2.290 20 5 EEBDHN Cc1ccccc1-n1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000280246284 464193655 /nfs/dbraw/zinc/19/36/55/464193655.db2.gz KHERNPQQCDWLHR-UHFFFAOYSA-N 0 3 326.360 2.075 20 5 EEBDHN CCOc1cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000280272748 464197228 /nfs/dbraw/zinc/19/72/28/464197228.db2.gz RGJOLQKGQJEGJK-NVXWUHKLSA-N 0 3 349.431 2.419 20 5 EEBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761957 464373806 /nfs/dbraw/zinc/37/38/06/464373806.db2.gz VOTRLLCOAUNNDY-WFASDCNBSA-N 0 3 340.330 2.171 20 5 EEBDHN CNC(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264598102 464388666 /nfs/dbraw/zinc/38/86/66/464388666.db2.gz MXHSTUXKKYCQMV-AWEZNQCLSA-N 0 3 332.404 2.019 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272540839 464652114 /nfs/dbraw/zinc/65/21/14/464652114.db2.gz BYOMHADDWNGOEY-WFASDCNBSA-N 0 3 335.429 2.240 20 5 EEBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176200265 464718319 /nfs/dbraw/zinc/71/83/19/464718319.db2.gz YLYJIVOKEXVPFM-CQSZACIVSA-N 0 3 343.387 2.142 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000286053379 464788299 /nfs/dbraw/zinc/78/82/99/464788299.db2.gz HXUKNFDJUFLWES-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN CCOC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286223095 464844918 /nfs/dbraw/zinc/84/49/18/464844918.db2.gz QZHDHOSMNSVBQB-HNNXBMFYSA-N 0 3 344.433 2.019 20 5 EEBDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355250 465324321 /nfs/dbraw/zinc/32/43/21/465324321.db2.gz DPJQVFXUSDUYMD-DGCLKSJQSA-N 0 3 336.417 2.225 20 5 EEBDHN CCCCN1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357228905 465873784 /nfs/dbraw/zinc/87/37/84/465873784.db2.gz ZCBYIVSJOYXIBA-GFCCVEGCSA-N 0 3 335.408 2.155 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331768756 466237986 /nfs/dbraw/zinc/23/79/86/466237986.db2.gz JHXZIHKTYMSCFV-GFCCVEGCSA-N 0 3 344.371 2.015 20 5 EEBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000347347084 466583976 /nfs/dbraw/zinc/58/39/76/466583976.db2.gz GPQOYADVFZEXSJ-UHFFFAOYSA-N 0 3 332.360 2.253 20 5 EEBDHN COc1ccc(CC(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000591682092 468501961 /nfs/dbraw/zinc/50/19/61/468501961.db2.gz YGKVFXRHWBOICI-UHFFFAOYSA-N 0 3 341.367 2.066 20 5 EEBDHN O=C1[C@@H](NC2(C3CC3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375695886 466865803 /nfs/dbraw/zinc/86/58/03/466865803.db2.gz CWLPTLIREILPPD-INIZCTEOSA-N 0 3 345.399 2.249 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@H]1C1CC1 ZINC000451645456 467263876 /nfs/dbraw/zinc/26/38/76/467263876.db2.gz AVJLLODIVUVSFD-HIFRSBDPSA-N 0 3 338.429 2.162 20 5 EEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000414123531 467380021 /nfs/dbraw/zinc/38/00/21/467380021.db2.gz BJTKKEVFDFMKFA-GLQYFDAESA-N 0 3 326.418 2.393 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497603 467652344 /nfs/dbraw/zinc/65/23/44/467652344.db2.gz AQQKYVCSSGIKAC-DLBZAZTESA-N 0 3 348.399 2.348 20 5 EEBDHN COc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197149 468508920 /nfs/dbraw/zinc/50/89/20/468508920.db2.gz AMDJYUMUWTYNJQ-KGLIPLIRSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594215681 468515027 /nfs/dbraw/zinc/51/50/27/468515027.db2.gz STXBCCJLUGEHTL-GDBMZVCRSA-N 0 3 332.404 2.411 20 5 EEBDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593673740 469089796 /nfs/dbraw/zinc/08/97/96/469089796.db2.gz IMTMHSDTJXCBCF-HUUCEWRRSA-N 0 3 332.356 2.436 20 5 EEBDHN CC1(C)C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655878 469324043 /nfs/dbraw/zinc/32/40/43/469324043.db2.gz ZBGQPWFEUCWXPU-AWEZNQCLSA-N 0 3 343.387 2.061 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424406 469391430 /nfs/dbraw/zinc/39/14/30/469391430.db2.gz UTOQQMPIKTURSU-MRXNPFEDSA-N 0 3 348.447 2.112 20 5 EEBDHN C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483573 469477637 /nfs/dbraw/zinc/47/76/37/469477637.db2.gz DECYWPXXBHGFMG-YPMHNXCESA-N 0 3 335.379 2.438 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000610209667 469988487 /nfs/dbraw/zinc/98/84/87/469988487.db2.gz WNXASGLVSAMPCX-BXUZGUMPSA-N 0 3 332.404 2.382 20 5 EEBDHN CC(C)[C@H](C)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726587124 576278176 /nfs/dbraw/zinc/27/81/76/576278176.db2.gz VFDDPRPYZHTYIF-LBPRGKRZSA-N 0 3 334.376 2.297 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764364441 577734915 /nfs/dbraw/zinc/73/49/15/577734915.db2.gz YPKYVFRAHQSLDU-AWEZNQCLSA-N 0 3 345.403 2.097 20 5 EEBDHN C[C@@H](C(=O)N[C@@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777216 683032864 /nfs/dbraw/zinc/03/28/64/683032864.db2.gz INRNLZUGMFPWRC-DIFFPNOSSA-N 0 3 335.379 2.438 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CN(C)CCN1C ZINC000895248221 684374198 /nfs/dbraw/zinc/37/41/98/684374198.db2.gz KQWSWUSHYKISIH-SJCJKPOMSA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CN(C)CCN1C ZINC000895248220 684374231 /nfs/dbraw/zinc/37/42/31/684374231.db2.gz KQWSWUSHYKISIH-PXAZEXFGSA-N 0 3 329.404 2.189 20 5 EEBDHN CC(COC(=O)c1cnc2ncc(Br)cc2c1)[N+](=O)[O-] ZINC000813107971 1201117871 /nfs/dbraw/zinc/11/78/71/1201117871.db2.gz SJLUZEMLUPGNGR-SSDOTTSWSA-N 0 3 340.133 2.214 20 5 EEBDHN COc1ccc(OCCN2CCC(C(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000879626499 1201178895 /nfs/dbraw/zinc/17/88/95/1201178895.db2.gz MXHUTUNPWUVUJB-UHFFFAOYSA-N 0 3 338.404 2.465 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000866313467 1201490508 /nfs/dbraw/zinc/49/05/08/1201490508.db2.gz BFYOWOMICJDOBH-LLVKDONJSA-N 0 3 333.367 2.311 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001095899841 1215748362 /nfs/dbraw/zinc/74/83/62/1215748362.db2.gz VHAYBUQZZBSSMU-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN O=C(OCCOc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000801874035 1236336499 /nfs/dbraw/zinc/33/64/99/1236336499.db2.gz FXLGYCCERZCENL-UHFFFAOYSA-N 0 3 334.372 2.391 20 5 EEBDHN CN(CC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001057251401 1242762000 /nfs/dbraw/zinc/76/20/00/1242762000.db2.gz MQODJSZZNGVREU-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN COCCCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199497057 1285681152 /nfs/dbraw/zinc/68/11/52/1285681152.db2.gz VMQAAFNTXFQGPJ-UHFFFAOYSA-N 0 3 341.433 2.164 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000828840572 1314479129 /nfs/dbraw/zinc/47/91/29/1314479129.db2.gz SHDDKWACFYYANW-CYBMUJFWSA-N 0 3 333.388 2.158 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111814527 1303930874 /nfs/dbraw/zinc/93/08/74/1303930874.db2.gz NNBGGSXQHWYWIN-UHFFFAOYSA-N 0 3 334.420 2.386 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=S)NC1CCN(C)CC1 ZINC000798374348 1304989580 /nfs/dbraw/zinc/98/95/80/1304989580.db2.gz MHRWBOFEOIQCGV-UHFFFAOYSA-N 0 3 338.433 2.374 20 5 EEBDHN COCCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001149084203 1308982205 /nfs/dbraw/zinc/98/22/05/1308982205.db2.gz XSVFYKOFIGOCDN-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC001149208614 1315930940 /nfs/dbraw/zinc/93/09/40/1315930940.db2.gz NXWMKLYLDWNPLV-UHFFFAOYSA-N 0 3 329.347 2.482 20 5 EEBDHN Cc1ncsc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155010177 1317419680 /nfs/dbraw/zinc/41/96/80/1317419680.db2.gz TWFBRDDNTAVGAP-UHFFFAOYSA-N 0 3 340.430 2.331 20 5 EEBDHN O=C(CC1CCOCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155979139 1317813116 /nfs/dbraw/zinc/81/31/16/1317813116.db2.gz VLDQRIOMVJAUMV-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CN(Cc1cncnc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254482671 1318084230 /nfs/dbraw/zinc/08/42/30/1318084230.db2.gz MAWFNDSVMQAMJH-UHFFFAOYSA-N 0 3 327.388 2.486 20 5 EEBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001163525357 1321149314 /nfs/dbraw/zinc/14/93/14/1321149314.db2.gz YZNJXKGLJMIUAU-UHFFFAOYSA-N 0 3 349.416 2.069 20 5 EEBDHN O=[N+]([O-])c1cccc(N2CCCn3cnc(CNC4CCC4)c3C2)n1 ZINC001165908533 1321615376 /nfs/dbraw/zinc/61/53/76/1321615376.db2.gz JLZSKMKYNRBWGW-UHFFFAOYSA-N 0 3 342.403 2.239 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001589629922 1349013537 /nfs/dbraw/zinc/01/35/37/1349013537.db2.gz MWJOBCXEEXFVIU-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001589629922 1349013539 /nfs/dbraw/zinc/01/35/39/1349013539.db2.gz MWJOBCXEEXFVIU-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479935 1349812497 /nfs/dbraw/zinc/81/24/97/1349812497.db2.gz CLDSYFPTJZEQNT-QWHCGFSZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001593479935 1349812500 /nfs/dbraw/zinc/81/25/00/1349812500.db2.gz CLDSYFPTJZEQNT-QWHCGFSZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479935 1349812502 /nfs/dbraw/zinc/81/25/02/1349812502.db2.gz CLDSYFPTJZEQNT-QWHCGFSZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001593479935 1349812505 /nfs/dbraw/zinc/81/25/05/1349812505.db2.gz CLDSYFPTJZEQNT-QWHCGFSZSA-N 0 3 343.391 2.204 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121699397 1371916143 /nfs/dbraw/zinc/91/61/43/1371916143.db2.gz JWAMDXQAPMDJNW-NWDGAFQWSA-N 0 3 348.407 2.385 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001100576513 1410673221 /nfs/dbraw/zinc/67/32/21/1410673221.db2.gz GTKMNKLAPHEDBQ-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877383 780267574 /nfs/dbraw/zinc/26/75/74/780267574.db2.gz VZDHBLJZGHRMKO-HOTGVXAUSA-N 0 3 332.404 2.015 20 5 EEBDHN O=C(COc1ccsc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001171264956 790933094 /nfs/dbraw/zinc/93/30/94/790933094.db2.gz GHFGSCMIPBRWQK-UHFFFAOYSA-N 0 3 349.412 2.331 20 5 EEBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(N)Cc3ccccc3C1)CC2 ZINC000844160615 788905200 /nfs/dbraw/zinc/90/52/00/788905200.db2.gz LDYKDEIVGTUFNR-UHFFFAOYSA-N 0 3 337.379 2.289 20 5 EEBDHN CC(C)c1nocc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129279907 788962742 /nfs/dbraw/zinc/96/27/42/788962742.db2.gz ZLOWHORCEVFGIN-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN Cc1nc(=N)n([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1CN ZINC001172906199 797132438 /nfs/dbraw/zinc/13/24/38/797132438.db2.gz MVZKPDUZRDOVGM-HNNXBMFYSA-N 0 3 327.388 2.158 20 5 EEBDHN COc1ccccc1CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030278 803576860 /nfs/dbraw/zinc/57/68/60/803576860.db2.gz XUEHQYLRRSALCJ-WBVHZDCISA-N 0 3 333.432 2.258 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109496421 805551635 /nfs/dbraw/zinc/55/16/35/805551635.db2.gz UOGZFVODWBGRQK-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN CNC(=O)c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788519520 807561856 /nfs/dbraw/zinc/56/18/56/807561856.db2.gz NILKIDLJINQTKN-LLVKDONJSA-N 0 3 328.372 2.387 20 5 EEBDHN COC(=O)C[C@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355329 809902918 /nfs/dbraw/zinc/90/29/18/809902918.db2.gz ZWYRDBMIXKUGKB-CHWSQXEVSA-N 0 3 336.388 2.419 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615592 243178597 /nfs/dbraw/zinc/17/85/97/243178597.db2.gz QCUVIHNHRBNADS-DYVFJYSZSA-N 0 3 330.388 2.358 20 5 EEBDHN CC(C)N(C)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451829026 243283434 /nfs/dbraw/zinc/28/34/34/243283434.db2.gz ADUZDOCOGLKXDK-CYBMUJFWSA-N 0 3 335.404 2.403 20 5 EEBDHN COc1cc(CN[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000131529393 205292214 /nfs/dbraw/zinc/29/22/14/205292214.db2.gz ZEDVKDBHKCUGRR-HNNXBMFYSA-N 0 3 346.383 2.305 20 5 EEBDHN CCOC(=O)c1ccnc(NC2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000133179516 205360410 /nfs/dbraw/zinc/36/04/10/205360410.db2.gz KKZKVJTUEVSPMR-UHFFFAOYSA-N 0 3 336.392 2.451 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(CO)CC3)o2)c1 ZINC000264181489 246148070 /nfs/dbraw/zinc/14/80/70/246148070.db2.gz KKUFDTVPWCOTQD-UHFFFAOYSA-N 0 3 331.372 2.497 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000493829518 246822668 /nfs/dbraw/zinc/82/26/68/246822668.db2.gz WYVVQKVLDOUFHQ-SBSDFTTDSA-N 0 3 335.429 2.162 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC3(CO)CCOCC3)o2)c1 ZINC000265242260 247331229 /nfs/dbraw/zinc/33/12/29/247331229.db2.gz LUJWDGBAYSMPHO-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN1C1CC1 ZINC000268037387 256106901 /nfs/dbraw/zinc/10/69/01/256106901.db2.gz WYOYJUWGLZOYAC-CMPLNLGQSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912598 256186933 /nfs/dbraw/zinc/18/69/33/256186933.db2.gz SPZMHFAXCHDMOI-XHDPSFHLSA-N 0 3 340.383 2.356 20 5 EEBDHN Cc1ccc(CN(C)C[C@H](O)COCCOC(C)C)cc1[N+](=O)[O-] ZINC000271124090 256210528 /nfs/dbraw/zinc/21/05/28/256210528.db2.gz GHKQSNRKMMNIGB-INIZCTEOSA-N 0 3 340.420 2.138 20 5 EEBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCNCC1 ZINC000082086297 159160694 /nfs/dbraw/zinc/16/06/94/159160694.db2.gz USKVJZDHVCISTR-UHFFFAOYSA-N 0 3 332.385 2.154 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1Cc1ccccc1 ZINC000342451450 161066418 /nfs/dbraw/zinc/06/64/18/161066418.db2.gz PIYJGCPWDQAUPA-DZGCQCFKSA-N 0 3 342.399 2.326 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1Cc1ccccc1 ZINC000342451451 161066495 /nfs/dbraw/zinc/06/64/95/161066495.db2.gz PIYJGCPWDQAUPA-HIFRSBDPSA-N 0 3 342.399 2.326 20 5 EEBDHN C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000343428327 161135376 /nfs/dbraw/zinc/13/53/76/161135376.db2.gz HIYVRTXVZDAEAM-XHDPSFHLSA-N 0 3 330.388 2.218 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344270722 161213124 /nfs/dbraw/zinc/21/31/24/161213124.db2.gz FGRWPRFNVRZFFT-UHFFFAOYSA-N 0 3 346.362 2.333 20 5 EEBDHN CN(C)Cc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345940172 161344298 /nfs/dbraw/zinc/34/42/98/161344298.db2.gz XNCLLYNTFNTALX-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356288510 163394353 /nfs/dbraw/zinc/39/43/53/163394353.db2.gz KZCIATAJYOFFQG-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000359403289 164126984 /nfs/dbraw/zinc/12/69/84/164126984.db2.gz GUQMBFHSMOIACK-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359996529 164211948 /nfs/dbraw/zinc/21/19/48/164211948.db2.gz XBRNXDGGCGBBBU-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048163 164223790 /nfs/dbraw/zinc/22/37/90/164223790.db2.gz RGKOGEUGWWAJPF-CYBMUJFWSA-N 0 3 333.310 2.401 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272670516 269006540 /nfs/dbraw/zinc/00/65/40/269006540.db2.gz SZJYTISOTHQRMD-PBHICJAKSA-N 0 3 346.431 2.340 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000277243435 269144928 /nfs/dbraw/zinc/14/49/28/269144928.db2.gz YRECZUCRPIQESR-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H]1CCSCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361294 269274323 /nfs/dbraw/zinc/27/43/23/269274323.db2.gz WIQBEDBLVSBFCW-OCCSQVGLSA-N 0 3 326.418 2.162 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCN(C(C)=O)C1 ZINC000279929748 269317543 /nfs/dbraw/zinc/31/75/43/269317543.db2.gz YAILGIIPOUZYME-AWEZNQCLSA-N 0 3 335.404 2.342 20 5 EEBDHN CNCc1ccccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000237124400 274088245 /nfs/dbraw/zinc/08/82/45/274088245.db2.gz GWAWXKHPHFKVJA-UHFFFAOYSA-N 0 3 331.376 2.156 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892895 274119145 /nfs/dbraw/zinc/11/91/45/274119145.db2.gz BXYADEIUFGTYDB-KSYCFECVSA-N 0 3 345.399 2.469 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000274131197 274186560 /nfs/dbraw/zinc/18/65/60/274186560.db2.gz YKCNWRSLUSFZAN-ZJUUUORDSA-N 0 3 327.768 2.201 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)cc1C ZINC000237666566 274723072 /nfs/dbraw/zinc/72/30/72/274723072.db2.gz ANNABNHLHBJJQL-UHFFFAOYSA-N 0 3 341.433 2.152 20 5 EEBDHN C[C@@H](c1ccccc1)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274850 275405152 /nfs/dbraw/zinc/40/51/52/275405152.db2.gz SKZWMFLTCSNNDY-SUMWQHHRSA-N 0 3 327.384 2.385 20 5 EEBDHN CNc1nc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000454247925 277304000 /nfs/dbraw/zinc/30/40/00/277304000.db2.gz UXVKEHNFLBZSOL-HNNXBMFYSA-N 0 3 343.387 2.064 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000338027508 289353545 /nfs/dbraw/zinc/35/35/45/289353545.db2.gz JEBJZBNWQAWZFT-HZSPNIEDSA-N 0 3 334.420 2.384 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C2)C1 ZINC000293982427 293343295 /nfs/dbraw/zinc/34/32/95/293343295.db2.gz VRLOYKYIJMKYLI-OAHLLOKOSA-N 0 3 325.315 2.041 20 5 EEBDHN COc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295103339 293614591 /nfs/dbraw/zinc/61/45/91/293614591.db2.gz KRGQQDWOBWUNCY-HNNXBMFYSA-N 0 3 334.347 2.436 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(CN2CCOCC2)CC1 ZINC000298708523 294565897 /nfs/dbraw/zinc/56/58/97/294565897.db2.gz HCHCDYSCQZSYJJ-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000261759436 303019360 /nfs/dbraw/zinc/01/93/60/303019360.db2.gz NWXRXRNBTBXTLP-CYBMUJFWSA-N 0 3 335.795 2.128 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160969255 311360373 /nfs/dbraw/zinc/36/03/73/311360373.db2.gz LCOUMBLYSXFQRQ-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1C[C@H](CO)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361019 314091499 /nfs/dbraw/zinc/09/14/99/314091499.db2.gz KBENYQKMMAYAAI-KGLIPLIRSA-N 0 3 344.415 2.446 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CNC(=O)N2C)CC1 ZINC000425547849 314419612 /nfs/dbraw/zinc/41/96/12/314419612.db2.gz VWUYQTMHZDWFQU-ZDUSSCGKSA-N 0 3 332.404 2.454 20 5 EEBDHN O=C(NCCN1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448705569 315378851 /nfs/dbraw/zinc/37/88/51/315378851.db2.gz BYGGPTUEBVFCKE-UHFFFAOYSA-N 0 3 343.387 2.201 20 5 EEBDHN CC(C)OC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530687535 317740707 /nfs/dbraw/zinc/74/07/07/317740707.db2.gz VOLQMPBGXUCWSY-HNNXBMFYSA-N 0 3 338.404 2.224 20 5 EEBDHN CSc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000567262196 319364486 /nfs/dbraw/zinc/36/44/86/319364486.db2.gz GBICSIUTIWXSET-ZDUSSCGKSA-N 0 3 349.412 2.241 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181663698 323352117 /nfs/dbraw/zinc/35/21/17/323352117.db2.gz YJOJBPSILNGLIZ-JTQLQIEISA-N 0 3 343.330 2.268 20 5 EEBDHN COC(=O)c1cnc(N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000582156617 324390754 /nfs/dbraw/zinc/39/07/54/324390754.db2.gz NHBMLMADIJFMSG-UHFFFAOYSA-N 0 3 336.392 2.087 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000341211757 465058861 /nfs/dbraw/zinc/05/88/61/465058861.db2.gz PMFJDJOJEREHAB-WMZOPIPTSA-N 0 3 346.383 2.048 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CC(F)(F)F ZINC000358373496 465085557 /nfs/dbraw/zinc/08/55/57/465085557.db2.gz XWDINKTYLYTMFX-ONGXEEELSA-N 0 3 349.309 2.215 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521129876 468290914 /nfs/dbraw/zinc/29/09/14/468290914.db2.gz RNSZCTMAYCGFQP-CQSZACIVSA-N 0 3 335.404 2.137 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(C2CC2)CC1 ZINC000045409931 462583875 /nfs/dbraw/zinc/58/38/75/462583875.db2.gz GOERXQKLOUSBJE-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN CCOc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000046957000 462727308 /nfs/dbraw/zinc/72/73/08/462727308.db2.gz DUZDZZNNGUOKQK-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC1 ZINC000579258455 468334141 /nfs/dbraw/zinc/33/41/41/468334141.db2.gz NKIUJAVFIQYLOL-UHFFFAOYSA-N 0 3 338.383 2.077 20 5 EEBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052931960 463119005 /nfs/dbraw/zinc/11/90/05/463119005.db2.gz KQFNESNNAMCXEG-UHFFFAOYSA-N 0 3 328.372 2.317 20 5 EEBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026218828 463154317 /nfs/dbraw/zinc/15/43/17/463154317.db2.gz MGJMETCTCCGPBS-CYBMUJFWSA-N 0 3 349.387 2.199 20 5 EEBDHN COc1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055400968 463316946 /nfs/dbraw/zinc/31/69/46/463316946.db2.gz WCILHPNGHZGDGN-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083848 463317734 /nfs/dbraw/zinc/31/77/34/463317734.db2.gz WYWXLKCEEVFBMP-CQSZACIVSA-N 0 3 343.431 2.499 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000143449268 463368572 /nfs/dbraw/zinc/36/85/72/463368572.db2.gz QXWVWHLVLPCOEQ-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N(C)C1CC1 ZINC000057705270 463509945 /nfs/dbraw/zinc/50/99/45/463509945.db2.gz GHIQEJBMOSMVFB-GFCCVEGCSA-N 0 3 330.388 2.148 20 5 EEBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151792548 463591947 /nfs/dbraw/zinc/59/19/47/463591947.db2.gz SIGKZZNOWXVWFE-NSHDSACASA-N 0 3 337.376 2.019 20 5 EEBDHN CCCCN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000112311153 463698221 /nfs/dbraw/zinc/69/82/21/463698221.db2.gz NFDUHVGGOFMPFW-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447010 463888018 /nfs/dbraw/zinc/88/80/18/463888018.db2.gz KNQZLXANVLJILC-MNOVXSKESA-N 0 3 338.383 2.166 20 5 EEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCN1CCOC(C)(C)C1 ZINC000279664823 464125262 /nfs/dbraw/zinc/12/52/62/464125262.db2.gz DGQORBSSWWWKOL-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761955 464373852 /nfs/dbraw/zinc/37/38/52/464373852.db2.gz VOTRLLCOAUNNDY-IUODEOHRSA-N 0 3 340.330 2.171 20 5 EEBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000281397888 464439130 /nfs/dbraw/zinc/43/91/30/464439130.db2.gz XISNMTPKNBCKCG-KRWDZBQOSA-N 0 3 336.388 2.387 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189129819 464440192 /nfs/dbraw/zinc/44/01/92/464440192.db2.gz CQXHARFXBMBSKW-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272188432 464511849 /nfs/dbraw/zinc/51/18/49/464511849.db2.gz MXDJFSHPLHMKSV-CYBMUJFWSA-N 0 3 334.420 2.195 20 5 EEBDHN COc1cc(CNC[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407460 464596257 /nfs/dbraw/zinc/59/62/57/464596257.db2.gz KLRCURYPASUZPZ-SNVBAGLBSA-N 0 3 348.346 2.355 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000272487239 464628651 /nfs/dbraw/zinc/62/86/51/464628651.db2.gz MRRDJBIJEWPWTB-XHDPSFHLSA-N 0 3 328.372 2.242 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000591144266 468414933 /nfs/dbraw/zinc/41/49/33/468414933.db2.gz DPRMRHNQWCOHOP-DLBZAZTESA-N 0 3 342.399 2.178 20 5 EEBDHN COC[C@@]1(C(=O)OC)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000295120220 464712663 /nfs/dbraw/zinc/71/26/63/464712663.db2.gz IREVXHBTRMNJRG-CXAGYDPISA-N 0 3 336.388 2.476 20 5 EEBDHN CCCN(CC)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295403885 464818488 /nfs/dbraw/zinc/81/84/88/464818488.db2.gz UUTWEWITBGWIHD-UHFFFAOYSA-N 0 3 335.404 2.406 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286257568 464857799 /nfs/dbraw/zinc/85/77/99/464857799.db2.gz GJTHZISQFVKBEN-GOSISDBHSA-N 0 3 341.415 2.431 20 5 EEBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183443460 464865927 /nfs/dbraw/zinc/86/59/27/464865927.db2.gz YUCLMWVJMQYULF-UHFFFAOYSA-N 0 3 349.435 2.156 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000282882618 464987649 /nfs/dbraw/zinc/98/76/49/464987649.db2.gz RHIMRILIVIKAIR-WFASDCNBSA-N 0 3 335.404 2.452 20 5 EEBDHN CCN(CCO)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184549893 464995050 /nfs/dbraw/zinc/99/50/50/464995050.db2.gz SYTBHHJMTWJIMA-UHFFFAOYSA-N 0 3 333.388 2.259 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000554641043 468435494 /nfs/dbraw/zinc/43/54/94/468435494.db2.gz FNCRWOULHWLTJR-CJNGLKHVSA-N 0 3 342.399 2.326 20 5 EEBDHN Cc1ccc(NCCCNC(=O)NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000353168034 465690296 /nfs/dbraw/zinc/69/02/96/465690296.db2.gz MORWKCQXHAZUTK-UHFFFAOYSA-N 0 3 349.435 2.099 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330552026 465701647 /nfs/dbraw/zinc/70/16/47/465701647.db2.gz FFCFMJJECBICPA-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccco1 ZINC000338348974 466050211 /nfs/dbraw/zinc/05/02/11/466050211.db2.gz MXGPYAWMDUIEAK-INIZCTEOSA-N 0 3 334.372 2.240 20 5 EEBDHN CC[C@@H](C)N[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543611 466118250 /nfs/dbraw/zinc/11/82/50/466118250.db2.gz HQGAKQIUJJKQQQ-ZYHUDNBSSA-N 0 3 347.375 2.223 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349785237 466238410 /nfs/dbraw/zinc/23/84/10/466238410.db2.gz SUVRFNXHNHHRAI-LBPRGKRZSA-N 0 3 343.449 2.164 20 5 EEBDHN CC(C)N1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000332013445 466347118 /nfs/dbraw/zinc/34/71/18/466347118.db2.gz PPQUXIADGODECP-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1NC1CCN([C@@H]3CCOC3)CC1)CCN2 ZINC000365550956 466859577 /nfs/dbraw/zinc/85/95/77/466859577.db2.gz UIYMPMGXTRXKQB-CYBMUJFWSA-N 0 3 332.404 2.228 20 5 EEBDHN C[C@@H](NC1(C2CC2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375697015 466864991 /nfs/dbraw/zinc/86/49/91/466864991.db2.gz JUZZGDSLVBISAY-GFCCVEGCSA-N 0 3 333.388 2.471 20 5 EEBDHN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417999325 467016952 /nfs/dbraw/zinc/01/69/52/467016952.db2.gz WEJKGVIEYDDUOC-QWRGUYRKSA-N 0 3 340.811 2.183 20 5 EEBDHN C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374309104 467038927 /nfs/dbraw/zinc/03/89/27/467038927.db2.gz IHDOQMNNHBKJBF-DZGCQCFKSA-N 0 3 336.411 2.196 20 5 EEBDHN C[C@H](CO)N1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413255007 467198283 /nfs/dbraw/zinc/19/82/83/467198283.db2.gz FKEOISNJDUMSCZ-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397485 467290948 /nfs/dbraw/zinc/29/09/48/467290948.db2.gz OZFOBBJYVPALAY-ZIAGYGMSSA-N 0 3 347.415 2.332 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018803 467291763 /nfs/dbraw/zinc/29/17/63/467291763.db2.gz IAMCSJWRNGYNKZ-CKEIUWERSA-N 0 3 346.431 2.195 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420742664 467470311 /nfs/dbraw/zinc/47/03/11/467470311.db2.gz JCHHRWJLZKACPO-UHFFFAOYSA-N 0 3 341.433 2.054 20 5 EEBDHN O=C(C1CCN(C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000407993218 467490978 /nfs/dbraw/zinc/49/09/78/467490978.db2.gz XCSRHJNXNHHCSM-UHFFFAOYSA-N 0 3 329.400 2.354 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)N1CCO ZINC000450796172 467910217 /nfs/dbraw/zinc/91/02/17/467910217.db2.gz VPWGLEPDVHWNJL-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN CN(C)[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000514735468 467951833 /nfs/dbraw/zinc/95/18/33/467951833.db2.gz DLXSKQLKHKSHGA-OAHLLOKOSA-N 0 3 346.387 2.409 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517795916 468098021 /nfs/dbraw/zinc/09/80/21/468098021.db2.gz TZSLMLVLHJPDMX-LLVKDONJSA-N 0 3 325.796 2.249 20 5 EEBDHN C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])CN(C)C ZINC000488980220 468114462 /nfs/dbraw/zinc/11/44/62/468114462.db2.gz JCVIGZBOCHYIAP-GFCCVEGCSA-N 0 3 345.403 2.169 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594234477 468523702 /nfs/dbraw/zinc/52/37/02/468523702.db2.gz XJHQUKMSTKJFIM-NVXWUHKLSA-N 0 3 346.431 2.453 20 5 EEBDHN CN1CCCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600315253 468530452 /nfs/dbraw/zinc/53/04/52/468530452.db2.gz QPEHWZXMRMMEBQ-AWEZNQCLSA-N 0 3 347.415 2.406 20 5 EEBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000582661200 468574829 /nfs/dbraw/zinc/57/48/29/468574829.db2.gz UBPHCPOEDZEIJQ-INIZCTEOSA-N 0 3 331.372 2.136 20 5 EEBDHN COc1c(C(=O)N[C@@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598259973 468809173 /nfs/dbraw/zinc/80/91/73/468809173.db2.gz HQAAFOFOFLLQHV-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(CCN1CCCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593701540 469101652 /nfs/dbraw/zinc/10/16/52/469101652.db2.gz FFCMMNJAJIECMC-UHFFFAOYSA-N 0 3 335.404 2.284 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195908 469188543 /nfs/dbraw/zinc/18/85/43/469188543.db2.gz MIUBXBTYOKGKAB-LBPRGKRZSA-N 0 3 328.372 2.290 20 5 EEBDHN CN(CCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccco1 ZINC000596230639 469213946 /nfs/dbraw/zinc/21/39/46/469213946.db2.gz BDUYYXFYYQAKBL-UHFFFAOYSA-N 0 3 346.387 2.245 20 5 EEBDHN C[C@@H](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C ZINC000596428078 469263813 /nfs/dbraw/zinc/26/38/13/469263813.db2.gz DTFXECYAFVZOLQ-LBPRGKRZSA-N 0 3 345.403 2.311 20 5 EEBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cc1F)Cc1ccncc1 ZINC000603398889 469377505 /nfs/dbraw/zinc/37/75/05/469377505.db2.gz CXMREIBJBQATEL-UHFFFAOYSA-N 0 3 333.367 2.482 20 5 EEBDHN CN(C)C[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609153974 469897446 /nfs/dbraw/zinc/89/74/46/469897446.db2.gz LMJGXIASPXGWCA-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000609626455 469950864 /nfs/dbraw/zinc/95/08/64/469950864.db2.gz RVRQZQYVNVTXPK-GOSISDBHSA-N 0 3 333.432 2.324 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000583101038 485579692 /nfs/dbraw/zinc/57/96/92/485579692.db2.gz HDCSZIXFTCTRLA-AWEZNQCLSA-N 0 3 334.420 2.121 20 5 EEBDHN CC[C@@H](C)N(C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189803586 529343723 /nfs/dbraw/zinc/34/37/23/529343723.db2.gz GXLIGVVQBZNRFQ-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000491687201 535935647 /nfs/dbraw/zinc/93/56/47/535935647.db2.gz UWLIZJBCNIPFHJ-NKPGBKMFSA-N 0 3 333.363 2.442 20 5 EEBDHN COc1ccc(NC(=O)CN[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773473 536772313 /nfs/dbraw/zinc/77/23/13/536772313.db2.gz STTCOJXQODXLIN-GJZGRUSLSA-N 0 3 349.387 2.089 20 5 EEBDHN CCCCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773006985 577309986 /nfs/dbraw/zinc/30/99/86/577309986.db2.gz DKWFBRFSMCVFEN-ZDUSSCGKSA-N 0 3 343.449 2.432 20 5 EEBDHN CO[C@H](CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291175 577393836 /nfs/dbraw/zinc/39/38/36/577393836.db2.gz CXGXFXJFNDESSP-OUAUKWLOSA-N 0 3 336.314 2.442 20 5 EEBDHN CN(CC(F)F)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591882 577463700 /nfs/dbraw/zinc/46/37/00/577463700.db2.gz QSMDULHUZUZKKP-OAHLLOKOSA-N 0 3 343.374 2.290 20 5 EEBDHN CC1(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000756082160 577837922 /nfs/dbraw/zinc/83/79/22/577837922.db2.gz PCINJNLFCWPMAV-UHFFFAOYSA-N 0 3 336.388 2.449 20 5 EEBDHN CN(C)C(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749662488 577979503 /nfs/dbraw/zinc/97/95/03/577979503.db2.gz MAXYUSQWDCJZRC-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN CN(CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695097 577980150 /nfs/dbraw/zinc/98/01/50/577980150.db2.gz ZYCGVDAIPSNOBR-GOSISDBHSA-N 0 3 329.400 2.350 20 5 EEBDHN Cc1cccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001021847438 676519870 /nfs/dbraw/zinc/51/98/70/676519870.db2.gz PMKCSAGTUHRDHV-GASCZTMLSA-N 0 3 340.383 2.349 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC000891805094 676839908 /nfs/dbraw/zinc/83/99/08/676839908.db2.gz DCLSNUQSHQANCC-UHFFFAOYSA-N 0 3 325.438 2.102 20 5 EEBDHN COc1c(O)ccc(CN[C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892687323 682592047 /nfs/dbraw/zinc/59/20/47/682592047.db2.gz JOFWGDPMMNKMJR-CYBMUJFWSA-N 0 3 330.340 2.402 20 5 EEBDHN COCCN1CCC(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895887622 684763009 /nfs/dbraw/zinc/76/30/09/684763009.db2.gz FFHHQDRFMQCFJR-UHFFFAOYSA-N 0 3 335.404 2.052 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000897238237 686304862 /nfs/dbraw/zinc/30/48/62/686304862.db2.gz WJDFSVDFKOVWAW-UONOGXRCSA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001059689106 688153807 /nfs/dbraw/zinc/15/38/07/688153807.db2.gz ANMYGUHCFGNVRH-BETUJISGSA-N 0 3 343.387 2.237 20 5 EEBDHN O=[N+]([O-])CCNCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000905185868 694554431 /nfs/dbraw/zinc/55/44/31/694554431.db2.gz FQDDVAHHJULCCB-UHFFFAOYSA-N 0 3 327.690 2.389 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H](O)C1CCCC1)OCCO2 ZINC000865874293 1198410280 /nfs/dbraw/zinc/41/02/80/1198410280.db2.gz AZSLRXNHDSVFBD-OAHLLOKOSA-N 0 3 336.388 2.397 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877346110 1199909294 /nfs/dbraw/zinc/90/92/94/1199909294.db2.gz GMIWLUVJBFHRBG-HNNXBMFYSA-N 0 3 341.367 2.048 20 5 EEBDHN Cc1cc(C)c(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(C)c1 ZINC000813106353 1201117551 /nfs/dbraw/zinc/11/75/51/1201117551.db2.gz BLBMIRSWQXHXFP-UONOGXRCSA-N 0 3 334.372 2.173 20 5 EEBDHN CC(COC(=O)c1ccccc1N(C)C(=O)c1ccco1)[N+](=O)[O-] ZINC000813112506 1201123002 /nfs/dbraw/zinc/12/30/02/1201123002.db2.gz QZZPPUADQCBWRX-NSHDSACASA-N 0 3 332.312 2.378 20 5 EEBDHN CC(COC(=O)c1cnn2c1nccc2-c1ccccc1)[N+](=O)[O-] ZINC000813113297 1201123150 /nfs/dbraw/zinc/12/31/50/1201123150.db2.gz PDGFRIWGTHQBBO-LLVKDONJSA-N 0 3 326.312 2.218 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@H](CNc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001114797166 1215332550 /nfs/dbraw/zinc/33/25/50/1215332550.db2.gz XEMUWIRVFSHHSI-CTYIDZIISA-N 0 3 346.431 2.386 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096043291 1233956138 /nfs/dbraw/zinc/95/61/38/1233956138.db2.gz BKOFMXDFQCUSHM-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CC(C)=CC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048654012 1238200613 /nfs/dbraw/zinc/20/06/13/1238200613.db2.gz WBMIHVCXOPPRKY-IYBDPMFKSA-N 0 3 329.400 2.451 20 5 EEBDHN O=C(NCC1=CCN(Cc2cccc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672958 1240705630 /nfs/dbraw/zinc/70/56/30/1240705630.db2.gz CHBRYUZDHBVCIE-HZPDHXFCSA-N 0 3 349.818 2.254 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c(F)c1 ZINC001215694683 1296973055 /nfs/dbraw/zinc/97/30/55/1296973055.db2.gz YNSDHRQKYVPDMX-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@H](F)C[C@@H](CO)C3)CC2)cc1 ZINC001254475238 1318083263 /nfs/dbraw/zinc/08/32/63/1318083263.db2.gz CUCHJLREJMCFKQ-ZIAGYGMSSA-N 0 3 337.395 2.216 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)cn1 ZINC001254532322 1318111762 /nfs/dbraw/zinc/11/17/62/1318111762.db2.gz MUEBNFWDRJMTHN-GFCCVEGCSA-N 0 3 349.412 2.114 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCNC(=O)O2)CC1 ZINC001254565386 1318122873 /nfs/dbraw/zinc/12/28/73/1318122873.db2.gz OUJIBJZQHICYRN-CYBMUJFWSA-N 0 3 333.388 2.490 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H](Oc3cnccn3)C1)C2 ZINC001254612465 1318145135 /nfs/dbraw/zinc/14/51/35/1318145135.db2.gz WPAXIFPNGVVCJX-HOTGVXAUSA-N 0 3 326.356 2.005 20 5 EEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@H](CN3CCCC3)C2)n1 ZINC001158310310 1319165895 /nfs/dbraw/zinc/16/58/95/1319165895.db2.gz ZCMADUJVMLQDPJ-GFCCVEGCSA-N 0 3 340.811 2.253 20 5 EEBDHN COc1nc(N(C2CCCC2)C2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001158485412 1319264036 /nfs/dbraw/zinc/26/40/36/1319264036.db2.gz KCAOBXGKFHGVBG-UHFFFAOYSA-N 0 3 335.408 2.237 20 5 EEBDHN COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ncc1[N+](=O)[O-] ZINC001159590117 1319904000 /nfs/dbraw/zinc/90/40/00/1319904000.db2.gz JRTHTHVRUUZGAE-JTQLQIEISA-N 0 3 340.343 2.266 20 5 EEBDHN CCc1ncoc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166282297 1321691865 /nfs/dbraw/zinc/69/18/65/1321691865.db2.gz AZNKGFPRNBXQCP-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N(C)C)ccc1[N+](=O)[O-] ZINC001318540546 1332557616 /nfs/dbraw/zinc/55/76/16/1332557616.db2.gz KNVYAWXVTYFWAC-UKRRQHHQSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[NH+]1CCCCCC1 ZINC001609601659 1352030451 /nfs/dbraw/zinc/03/04/51/1352030451.db2.gz SYSKEWANGLJJAY-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[NH+]1CCCCCC1 ZINC001609601659 1352030455 /nfs/dbraw/zinc/03/04/55/1352030455.db2.gz SYSKEWANGLJJAY-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC001343648824 1337342921 /nfs/dbraw/zinc/34/29/21/1337342921.db2.gz JTQDXLBBQZUFQZ-SECBINFHSA-N 0 3 332.150 2.345 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589629528 1349012993 /nfs/dbraw/zinc/01/29/93/1349012993.db2.gz DSNSMNTWLHEIDM-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589629528 1349012999 /nfs/dbraw/zinc/01/29/99/1349012999.db2.gz DSNSMNTWLHEIDM-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589714506 1349023615 /nfs/dbraw/zinc/02/36/15/1349023615.db2.gz JNRQNAZLTLSGQS-UHFFFAOYSA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589714506 1349023618 /nfs/dbraw/zinc/02/36/18/1349023618.db2.gz JNRQNAZLTLSGQS-UHFFFAOYSA-N 0 3 349.370 2.199 20 5 EEBDHN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464760 1349339426 /nfs/dbraw/zinc/33/94/26/1349339426.db2.gz FTAFVTCMPNLJQU-CQSZACIVSA-N 0 3 346.391 2.070 20 5 EEBDHN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464760 1349339435 /nfs/dbraw/zinc/33/94/35/1349339435.db2.gz FTAFVTCMPNLJQU-CQSZACIVSA-N 0 3 346.391 2.070 20 5 EEBDHN CC[NH+](CC)CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590687627 1349389312 /nfs/dbraw/zinc/38/93/12/1349389312.db2.gz MYFWVKHMNNHBNZ-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN CC[NH+](CC)CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590687627 1349389316 /nfs/dbraw/zinc/38/93/16/1349389316.db2.gz MYFWVKHMNNHBNZ-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001116039754 1371718551 /nfs/dbraw/zinc/71/85/51/1371718551.db2.gz UGDOWWVBPLSICX-JSGCOSHPSA-N 0 3 341.433 2.054 20 5 EEBDHN CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001125528087 759814836 /nfs/dbraw/zinc/81/48/36/759814836.db2.gz SQKFZNGRZUZESF-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091471576 790932662 /nfs/dbraw/zinc/93/26/62/790932662.db2.gz HVIVSLAJGMTDPK-JOCQHMNTSA-N 0 3 343.387 2.176 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091490299 791001324 /nfs/dbraw/zinc/00/13/24/791001324.db2.gz PSQQAQUHJAYIOQ-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN O=C1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979946 785347775 /nfs/dbraw/zinc/34/77/75/785347775.db2.gz XSXQVUOFLKGXOD-WMLDXEAASA-N 0 3 341.367 2.023 20 5 EEBDHN O=C1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979948 785348343 /nfs/dbraw/zinc/34/83/43/785348343.db2.gz XSXQVUOFLKGXOD-YOEHRIQHSA-N 0 3 341.367 2.023 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCC[S@@](=O)Cc2ccccc2)c1 ZINC000819042777 785371994 /nfs/dbraw/zinc/37/19/94/785371994.db2.gz NWAMZNIVRVVGGE-MZNJEOGPSA-N 0 3 348.424 2.167 20 5 EEBDHN CCN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000910291110 786651188 /nfs/dbraw/zinc/65/11/88/786651188.db2.gz DEATXMPTICTHLH-LLVKDONJSA-N 0 3 331.376 2.027 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107285692 786723980 /nfs/dbraw/zinc/72/39/80/786723980.db2.gz QFRNEQCTLOWCIV-ARJAWSKDSA-N 0 3 343.387 2.262 20 5 EEBDHN CC1CCN(CC(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107300821 786765203 /nfs/dbraw/zinc/76/52/03/786765203.db2.gz YDYGACRMKJNPGP-PLNGDYQASA-N 0 3 346.431 2.411 20 5 EEBDHN CC([C@H](OC(=O)COC[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845876698 789972033 /nfs/dbraw/zinc/97/20/33/789972033.db2.gz NWAXQAJVLUJBEN-WQGACYEGSA-N 0 3 341.335 2.271 20 5 EEBDHN CC([C@H](OC(=O)CN1CCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881842 789973945 /nfs/dbraw/zinc/97/39/45/789973945.db2.gz MIXUVAVSGFMWBP-BZNIZROVSA-N 0 3 338.335 2.088 20 5 EEBDHN Cc1ccc(F)c(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001148529858 792506804 /nfs/dbraw/zinc/50/68/04/792506804.db2.gz YIFQCMPPBSKUIK-UHFFFAOYSA-N 0 3 345.374 2.491 20 5 EEBDHN CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106776758 796507865 /nfs/dbraw/zinc/50/78/65/796507865.db2.gz AONNPFQIOTUNIV-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN CCCN(C)CC(=O)N(CC)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001106809159 796667023 /nfs/dbraw/zinc/66/70/23/796667023.db2.gz COAULOXJHCNWLZ-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN O=C(NCCNc1cc2c(cc1[N+](=O)[O-])CNC2)Nc1ccccc1 ZINC001169431935 803764123 /nfs/dbraw/zinc/76/41/23/803764123.db2.gz VVSJNTTVTIWGEQ-UHFFFAOYSA-N 0 3 341.371 2.432 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC(n3cnnc3)CC2)c([N+](=O)[O-])c1 ZINC001170352675 809901371 /nfs/dbraw/zinc/90/13/71/809901371.db2.gz PXHXUVMAMYDTCR-CYBMUJFWSA-N 0 3 345.403 2.463 20 5 EEBDHN COC(=O)C[C@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355330 809903096 /nfs/dbraw/zinc/90/30/96/809903096.db2.gz ZWYRDBMIXKUGKB-QWHCGFSZSA-N 0 3 336.388 2.419 20 5 EEBDHN CC[C@H](N[C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302811 529672739 /nfs/dbraw/zinc/67/27/39/529672739.db2.gz DUDOKAJXLRUGFQ-ZFWWWQNUSA-N 0 3 345.403 2.388 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178481400 232188606 /nfs/dbraw/zinc/18/86/06/232188606.db2.gz CXBDEQWSARVTRY-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193288310 240090060 /nfs/dbraw/zinc/09/00/60/240090060.db2.gz VCSCFLFUVJCTSQ-OAHLLOKOSA-N 0 3 343.449 2.253 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000426782303 241339945 /nfs/dbraw/zinc/33/99/45/241339945.db2.gz GDTRKSDPLGBJFW-INIZCTEOSA-N 0 3 346.431 2.448 20 5 EEBDHN CSc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449658566 242589604 /nfs/dbraw/zinc/58/96/04/242589604.db2.gz TVWUTEOJICUUNZ-LLVKDONJSA-N 0 3 331.344 2.044 20 5 EEBDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600812 243172807 /nfs/dbraw/zinc/17/28/07/243172807.db2.gz SWDQUYJYFHEAHV-CXAGYDPISA-N 0 3 337.420 2.412 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452059031 243341143 /nfs/dbraw/zinc/34/11/43/243341143.db2.gz JOESWNZWZNWAJV-AWEZNQCLSA-N 0 3 336.417 2.346 20 5 EEBDHN CC[C@@H]1CN(CC)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000456357368 244227346 /nfs/dbraw/zinc/22/73/46/244227346.db2.gz SJVOQDHKHIPKHZ-LLVKDONJSA-N 0 3 331.376 2.027 20 5 EEBDHN O=C(NCCN1CCCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000079963199 217268404 /nfs/dbraw/zinc/26/84/04/217268404.db2.gz KFNAVFRVIJUVRX-UHFFFAOYSA-N 0 3 331.376 2.077 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817433 218253024 /nfs/dbraw/zinc/25/30/24/218253024.db2.gz XTCLUBNPTCDQMB-LLCTXKFZSA-N 0 3 331.416 2.262 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266257402 284947848 /nfs/dbraw/zinc/94/78/48/284947848.db2.gz ODPUXRRUOZRHNO-AWEZNQCLSA-N 0 3 344.371 2.002 20 5 EEBDHN CN(C)[C@H]1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220432 256039112 /nfs/dbraw/zinc/03/91/12/256039112.db2.gz CXUANUJURYIGPS-RYUDHWBXSA-N 0 3 341.433 2.283 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270356415 256127066 /nfs/dbraw/zinc/12/70/66/256127066.db2.gz DWUCZNFSRRGXTL-UHFFFAOYSA-N 0 3 331.376 2.108 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2cccc(F)c2)C1 ZINC000270611373 256153363 /nfs/dbraw/zinc/15/33/63/256153363.db2.gz ZFQOBKDHOFMYPQ-AWEZNQCLSA-N 0 3 331.347 2.385 20 5 EEBDHN Cn1cc(CN2CCC(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271053308 256203056 /nfs/dbraw/zinc/20/30/56/256203056.db2.gz XVOPNSHIKVUTIJ-UHFFFAOYSA-N 0 3 330.388 2.200 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000271175306 256216266 /nfs/dbraw/zinc/21/62/66/256216266.db2.gz UZCXPELLSYYDNI-ZDUSSCGKSA-N 0 3 325.409 2.222 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272825960 256242191 /nfs/dbraw/zinc/24/21/91/256242191.db2.gz MAZWBOGXTPUJHQ-RISCZKNCSA-N 0 3 334.376 2.161 20 5 EEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1=CCN(C)CC1 ZINC000273029689 256258893 /nfs/dbraw/zinc/25/88/93/256258893.db2.gz UUMYOKYIVLINIJ-LBPRGKRZSA-N 0 3 332.404 2.041 20 5 EEBDHN Cc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000073108422 159050470 /nfs/dbraw/zinc/05/04/70/159050470.db2.gz CHLKZZUFWAWXHL-ZDUSSCGKSA-N 0 3 332.404 2.186 20 5 EEBDHN O=C(CCN1CCC(n2cccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000109007611 159346173 /nfs/dbraw/zinc/34/61/73/159346173.db2.gz PATSULLVACPGIU-UHFFFAOYSA-N 0 3 343.387 2.457 20 5 EEBDHN C[C@H]1CN(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000192748909 160173006 /nfs/dbraw/zinc/17/30/06/160173006.db2.gz YIYOOOAAMOMUSZ-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346125779 161359363 /nfs/dbraw/zinc/35/93/63/161359363.db2.gz AMGLXLREIXQGNA-VXGBXAGGSA-N 0 3 337.424 2.263 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346458171 161373938 /nfs/dbraw/zinc/37/39/38/161373938.db2.gz DMTZRFGVSVQIEG-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN CC[C@](C)(O)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352714567 162257355 /nfs/dbraw/zinc/25/73/55/162257355.db2.gz FHQYUOVILREWLN-HNNXBMFYSA-N 0 3 348.346 2.498 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000367932502 166022812 /nfs/dbraw/zinc/02/28/12/166022812.db2.gz LGMZUANJIYKHDP-HNNXBMFYSA-N 0 3 334.351 2.301 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000375901298 167222345 /nfs/dbraw/zinc/22/23/45/167222345.db2.gz BBKXQFWDFSMBDN-IRXDYDNUSA-N 0 3 342.399 2.178 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC000375963357 167237031 /nfs/dbraw/zinc/23/70/31/167237031.db2.gz JNBBPOIGDUFXBX-INIZCTEOSA-N 0 3 340.383 2.010 20 5 EEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1N1CCCC1 ZINC000275417497 269114944 /nfs/dbraw/zinc/11/49/44/269114944.db2.gz HBPNFDULVSCKKL-CHWSQXEVSA-N 0 3 340.424 2.332 20 5 EEBDHN Nc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cc(F)cc1[N+](=O)[O-] ZINC000277392082 269152871 /nfs/dbraw/zinc/15/28/71/269152871.db2.gz ARKMOJCTQDJQGV-GFCCVEGCSA-N 0 3 336.367 2.063 20 5 EEBDHN C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1[C@H](C)CC[C@@H]1C ZINC000277551094 269161691 /nfs/dbraw/zinc/16/16/91/269161691.db2.gz CFIDYBOERULLKJ-GRYCIOLGSA-N 0 3 345.403 2.349 20 5 EEBDHN CN(C)C/C=C/C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279295970 269268252 /nfs/dbraw/zinc/26/82/52/269268252.db2.gz KWDZPKUIOIHHHS-ONEGZZNKSA-N 0 3 331.294 2.348 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000272092445 274165083 /nfs/dbraw/zinc/16/50/83/274165083.db2.gz YGUWURBDPUCAGD-ZFWWWQNUSA-N 0 3 325.434 2.081 20 5 EEBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000275106038 274223715 /nfs/dbraw/zinc/22/37/15/274223715.db2.gz LVTGKUXXXNBYJS-LLVKDONJSA-N 0 3 331.294 2.095 20 5 EEBDHN COc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000275491083 274252313 /nfs/dbraw/zinc/25/23/13/274252313.db2.gz JBJWGEUUENYZOD-BBRMVZONSA-N 0 3 346.387 2.347 20 5 EEBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566448 274374342 /nfs/dbraw/zinc/37/43/42/274374342.db2.gz CYYMWNXMKAIBPA-YVEFUNNKSA-N 0 3 332.356 2.484 20 5 EEBDHN O=[N+]([O-])c1ccc(CNCCn2cc(Br)cn2)cc1 ZINC000285597959 274759304 /nfs/dbraw/zinc/75/93/04/274759304.db2.gz WJFSBUKRQGORNA-UHFFFAOYSA-N 0 3 325.166 2.344 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361097045 274857345 /nfs/dbraw/zinc/85/73/45/274857345.db2.gz NYTXNGXVYQHYGK-UHFFFAOYSA-N 0 3 328.328 2.033 20 5 EEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952480 274921232 /nfs/dbraw/zinc/92/12/32/274921232.db2.gz FOZRXAVCPUHJFR-NHYWBVRUSA-N 0 3 348.359 2.202 20 5 EEBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000290653313 275226309 /nfs/dbraw/zinc/22/63/09/275226309.db2.gz PBIFBKFFSSOVEV-GFCCVEGCSA-N 0 3 343.387 2.021 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292059724 275369638 /nfs/dbraw/zinc/36/96/38/275369638.db2.gz AQTGKEYHSSGJOC-GOSISDBHSA-N 0 3 342.399 2.104 20 5 EEBDHN CN1CCC[C@]2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000338747792 277087678 /nfs/dbraw/zinc/08/76/78/277087678.db2.gz VBFGCCHGVGYNNS-KRWDZBQOSA-N 0 3 327.388 2.460 20 5 EEBDHN Cc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364602277 281230031 /nfs/dbraw/zinc/23/00/31/281230031.db2.gz AQOBIIQVGNWCDR-CVEARBPZSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1cccnc1[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090554355 292726141 /nfs/dbraw/zinc/72/61/41/292726141.db2.gz NGNMTGFNPHYGLN-INIZCTEOSA-N 0 3 330.388 2.447 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000294006242 293348559 /nfs/dbraw/zinc/34/85/59/293348559.db2.gz XSZGQUQFBOKPFK-QGZVFWFLSA-N 0 3 328.372 2.244 20 5 EEBDHN C[C@@H](NC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294988111 293598596 /nfs/dbraw/zinc/59/85/96/293598596.db2.gz HHXXVZABJVVIJB-GFCCVEGCSA-N 0 3 333.388 2.105 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C[NH3+])CCCC[C@H]1C ZINC000178979956 302049049 /nfs/dbraw/zinc/04/90/49/302049049.db2.gz YBBHVCVKIZCWPK-IUODEOHRSA-N 0 3 341.433 2.089 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCCC1 ZINC000160161034 302049949 /nfs/dbraw/zinc/04/99/49/302049949.db2.gz VOPYABVHMOSMSS-CYBMUJFWSA-N 0 3 341.433 2.089 20 5 EEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000284474730 311486205 /nfs/dbraw/zinc/48/62/05/311486205.db2.gz UMNQIYKVWXWQSK-CYBMUJFWSA-N 0 3 333.344 2.229 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448910254 315397891 /nfs/dbraw/zinc/39/78/91/315397891.db2.gz KXOKJRPCIBPRFH-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCCc1ccccc1 ZINC000449121079 315418922 /nfs/dbraw/zinc/41/89/22/315418922.db2.gz FXZQSMXREOEYIO-HNNXBMFYSA-N 0 3 341.411 2.474 20 5 EEBDHN Cc1c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)oc2ccc(F)cc12 ZINC000517069290 316637521 /nfs/dbraw/zinc/63/75/21/316637521.db2.gz SURXRLIECBUATR-CYBMUJFWSA-N 0 3 348.334 2.136 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531456396 317797287 /nfs/dbraw/zinc/79/72/87/317797287.db2.gz DQKKMQHREWYZMJ-UHFFFAOYSA-N 0 3 336.417 2.199 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792213 319110405 /nfs/dbraw/zinc/11/04/05/319110405.db2.gz CXWZZDMRXHCJFA-XAYKYTGQSA-N 0 3 344.367 2.446 20 5 EEBDHN CC(C)(C)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566107555 319245539 /nfs/dbraw/zinc/24/55/39/319245539.db2.gz NBGVDNAOCDTBMV-INIZCTEOSA-N 0 3 332.404 2.240 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000567331539 319369650 /nfs/dbraw/zinc/36/96/50/319369650.db2.gz IQRSZAZLBYGFRR-ABAIWWIYSA-N 0 3 336.779 2.083 20 5 EEBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182250836 323370183 /nfs/dbraw/zinc/37/01/83/323370183.db2.gz YXSBJBGXJPHSAV-SWLSCSKDSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1ccccc1OC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000579103972 323777648 /nfs/dbraw/zinc/77/76/48/323777648.db2.gz YHPCQKAIXJMYBV-INIZCTEOSA-N 0 3 346.383 2.312 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000347592411 465111390 /nfs/dbraw/zinc/11/13/90/465111390.db2.gz NGHSATNLIJAFFT-HOTGVXAUSA-N 0 3 343.431 2.386 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296289181 465145345 /nfs/dbraw/zinc/14/53/45/465145345.db2.gz OZVWWIHENMEEQH-MAZHCROVSA-N 0 3 333.388 2.245 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[NH+]1CCCC1 ZINC000074115520 462557608 /nfs/dbraw/zinc/55/76/08/462557608.db2.gz ZPNKRSHMSWWEEG-UHFFFAOYSA-N 0 3 347.824 2.012 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000063725941 462666518 /nfs/dbraw/zinc/66/65/18/462666518.db2.gz ZTZZIFHPRCVDIQ-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000075108609 462676101 /nfs/dbraw/zinc/67/61/01/462676101.db2.gz ZITBOHPGANAXGM-MRXNPFEDSA-N 0 3 346.431 2.407 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000047146122 462748869 /nfs/dbraw/zinc/74/88/69/462748869.db2.gz XLLDNNRYUYSTRJ-CQSZACIVSA-N 0 3 334.420 2.245 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](Nc2ccccc2)C1 ZINC000090559571 462797810 /nfs/dbraw/zinc/79/78/10/462797810.db2.gz RSHKPHWNFZROOB-INIZCTEOSA-N 0 3 342.399 2.333 20 5 EEBDHN C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000078689174 463141314 /nfs/dbraw/zinc/14/13/14/463141314.db2.gz KLFKBCQDDBOLJW-AWEZNQCLSA-N 0 3 329.404 2.429 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000068486824 463143261 /nfs/dbraw/zinc/14/32/61/463143261.db2.gz FFCCNKGVUHRUQV-AWEZNQCLSA-N 0 3 332.404 2.335 20 5 EEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821882 463259783 /nfs/dbraw/zinc/25/97/83/463259783.db2.gz DFUDRCJENWDWHG-HNNXBMFYSA-N 0 3 330.340 2.489 20 5 EEBDHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150875518 463443825 /nfs/dbraw/zinc/44/38/25/463443825.db2.gz VESWVKFWMOKJQO-CYBMUJFWSA-N 0 3 325.384 2.369 20 5 EEBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000162246273 463495665 /nfs/dbraw/zinc/49/56/65/463495665.db2.gz RFCFYRRQLMCNLV-UHFFFAOYSA-N 0 3 346.387 2.116 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057721683 463514654 /nfs/dbraw/zinc/51/46/54/463514654.db2.gz GXOVTDVURIQJTR-NSHDSACASA-N 0 3 332.404 2.382 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000108303821 463595179 /nfs/dbraw/zinc/59/51/79/463595179.db2.gz JTTYIODJSAIFFZ-ZDUSSCGKSA-N 0 3 335.429 2.287 20 5 EEBDHN CC(C)N1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000059893806 463646641 /nfs/dbraw/zinc/64/66/41/463646641.db2.gz BNELZIGJBSDVGX-LBPRGKRZSA-N 0 3 341.433 2.141 20 5 EEBDHN COCCCN(C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000152512155 463698744 /nfs/dbraw/zinc/69/87/44/463698744.db2.gz OWZGPZNIZCZESJ-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN Cc1nc([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268507739 463771693 /nfs/dbraw/zinc/77/16/93/463771693.db2.gz UDGGBULOTIZIRI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268507739 463771695 /nfs/dbraw/zinc/77/16/95/463771695.db2.gz UDGGBULOTIZIRI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268507739 463771697 /nfs/dbraw/zinc/77/16/97/463771697.db2.gz UDGGBULOTIZIRI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492334540 468383200 /nfs/dbraw/zinc/38/32/00/468383200.db2.gz BVGRETMLZFDSIV-JGRHXKAPSA-N 0 3 333.363 2.300 20 5 EEBDHN COc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262271181 463987700 /nfs/dbraw/zinc/98/77/00/463987700.db2.gz SNPCLVWKJFNDKN-HNNXBMFYSA-N 0 3 341.367 2.220 20 5 EEBDHN CC1(C)C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989272 464020871 /nfs/dbraw/zinc/02/08/71/464020871.db2.gz DPNYWBUAYZFXLM-XHDPSFHLSA-N 0 3 338.429 2.342 20 5 EEBDHN COCCO[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179344383 464111106 /nfs/dbraw/zinc/11/11/06/464111106.db2.gz XNOWJTSBOQHVBP-QGZVFWFLSA-N 0 3 338.404 2.491 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2[n-]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263681110 464150906 /nfs/dbraw/zinc/15/09/06/464150906.db2.gz KVQQQQWZKZUQCO-GFCCVEGCSA-N 0 3 347.375 2.095 20 5 EEBDHN COCCCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000263818651 464204051 /nfs/dbraw/zinc/20/40/51/464204051.db2.gz WUKGONTXDZUNIJ-UHFFFAOYSA-N 0 3 339.421 2.217 20 5 EEBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237044475 464256027 /nfs/dbraw/zinc/25/60/27/464256027.db2.gz WLQRCGLAMJTNOQ-BLLLJJGKSA-N 0 3 335.404 2.338 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000237436458 464319106 /nfs/dbraw/zinc/31/91/06/464319106.db2.gz QKGQDBHFRIHVGV-SUMWQHHRSA-N 0 3 342.399 2.459 20 5 EEBDHN CN1CC=C(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272104109 464479745 /nfs/dbraw/zinc/47/97/45/464479745.db2.gz PCKDLCQQWYPNNF-UHFFFAOYSA-N 0 3 346.431 2.479 20 5 EEBDHN Cn1cc(CN[C@H]2C[C@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351406 464481773 /nfs/dbraw/zinc/48/17/73/464481773.db2.gz KFKXMGYCMANPFN-GJZGRUSLSA-N 0 3 330.388 2.244 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000175266958 464515742 /nfs/dbraw/zinc/51/57/42/464515742.db2.gz WESXZPPZGIJNTO-HNNXBMFYSA-N 0 3 349.431 2.148 20 5 EEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCCN(C)C1 ZINC000294830662 464619241 /nfs/dbraw/zinc/61/92/41/464619241.db2.gz DGJWMSCVUFRARV-CQSZACIVSA-N 0 3 343.387 2.151 20 5 EEBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294872008 464633101 /nfs/dbraw/zinc/63/31/01/464633101.db2.gz PGODEILFZZCWMS-UHFFFAOYSA-N 0 3 343.811 2.255 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272574654 464665478 /nfs/dbraw/zinc/66/54/78/464665478.db2.gz RCHHWNIEGIJZLI-UHFFFAOYSA-N 0 3 341.358 2.487 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)N1C ZINC000295444614 464837091 /nfs/dbraw/zinc/83/70/91/464837091.db2.gz KQOPYVDKVCNKIZ-TXEJJXNPSA-N 0 3 343.387 2.150 20 5 EEBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298159105 465319710 /nfs/dbraw/zinc/31/97/10/465319710.db2.gz NZJBWXZQDFSPCK-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CC[C@H](C)N[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538406 465441673 /nfs/dbraw/zinc/44/16/73/465441673.db2.gz AXVPRXZYJKGSIY-ONGXEEELSA-N 0 3 335.364 2.079 20 5 EEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000353093046 465632967 /nfs/dbraw/zinc/63/29/67/465632967.db2.gz RXMKBYMLVKKZAA-LBPRGKRZSA-N 0 3 343.387 2.273 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299207060 465648726 /nfs/dbraw/zinc/64/87/26/465648726.db2.gz CVHKBLCFJMBZEA-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371303293 465702345 /nfs/dbraw/zinc/70/23/45/465702345.db2.gz NYXIGXYYRKUUAI-QAPCUYQASA-N 0 3 332.448 2.053 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000361073762 465747465 /nfs/dbraw/zinc/74/74/65/465747465.db2.gz MNUKKCNNWCVAGJ-STQMWFEESA-N 0 3 339.440 2.421 20 5 EEBDHN O=C(NCCNc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000338072997 465799372 /nfs/dbraw/zinc/79/93/72/465799372.db2.gz KOTZQJHXLSZBKJ-UHFFFAOYSA-N 0 3 342.380 2.468 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000593995829 468455345 /nfs/dbraw/zinc/45/53/45/468455345.db2.gz AHQZAXSIJKDULN-QGZVFWFLSA-N 0 3 349.431 2.160 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CCc4ccccc4C3)c21 ZINC000357311012 465937002 /nfs/dbraw/zinc/93/70/02/465937002.db2.gz URTXVAHZDQUXQK-UHFFFAOYSA-N 0 3 349.394 3.008 20 5 EEBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000353504605 465938454 /nfs/dbraw/zinc/93/84/54/465938454.db2.gz SHQGYPQSRSVWMR-SUMWQHHRSA-N 0 3 343.431 2.490 20 5 EEBDHN CCOc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301568802 465988139 /nfs/dbraw/zinc/98/81/39/465988139.db2.gz QOBINBCDYFXKRQ-CQSZACIVSA-N 0 3 335.404 2.152 20 5 EEBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252820 466031357 /nfs/dbraw/zinc/03/13/57/466031357.db2.gz ZGPLTZLGOAEJLU-HEHGZKQESA-N 0 3 347.415 2.406 20 5 EEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](COC)Cc1ccccc1 ZINC000357928957 466326702 /nfs/dbraw/zinc/32/67/02/466326702.db2.gz MRKSCURVMPIJMS-MRXNPFEDSA-N 0 3 332.404 2.371 20 5 EEBDHN CC[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027435 466395504 /nfs/dbraw/zinc/39/55/04/466395504.db2.gz RLHQVZPDKSCICX-ZFWWWQNUSA-N 0 3 341.433 2.060 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362148279 466587837 /nfs/dbraw/zinc/58/78/37/466587837.db2.gz ISARMKMECOADIK-DOMZBBRYSA-N 0 3 335.404 2.331 20 5 EEBDHN CN1CC[C@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000368302967 466595080 /nfs/dbraw/zinc/59/50/80/466595080.db2.gz ALODSAKWRWULAM-ZDUSSCGKSA-N 0 3 341.209 2.284 20 5 EEBDHN C[C@H]1COCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000370185809 466791084 /nfs/dbraw/zinc/79/10/84/466791084.db2.gz RNZDIPLIVRTPNY-CYBMUJFWSA-N 0 3 330.388 2.464 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412561678 467096521 /nfs/dbraw/zinc/09/65/21/467096521.db2.gz UMQPGJDZICCNRC-UHFFFAOYSA-N 0 3 349.366 2.329 20 5 EEBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CCN1C[C@H](C)O ZINC000413129282 467175678 /nfs/dbraw/zinc/17/56/78/467175678.db2.gz LHLQBWRPTDAFPA-KBPBESRZSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339318 467233037 /nfs/dbraw/zinc/23/30/37/467233037.db2.gz YRDIUBUAOVBSBM-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010788 467304048 /nfs/dbraw/zinc/30/40/48/467304048.db2.gz FONJIYUDWIELPM-UKRRQHHQSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420451107 467411992 /nfs/dbraw/zinc/41/19/92/467411992.db2.gz VDJSNZFMLIGGSS-CYBMUJFWSA-N 0 3 341.433 2.022 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448604538 467595679 /nfs/dbraw/zinc/59/56/79/467595679.db2.gz IOLCBOURNMOLAV-UHFFFAOYSA-N 0 3 331.294 2.439 20 5 EEBDHN CCN1CCN(CCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450255153 467809544 /nfs/dbraw/zinc/80/95/44/467809544.db2.gz AUOWKZUTUQKBDW-UHFFFAOYSA-N 0 3 343.431 2.583 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)[C@H](C(C)C)C2)c1 ZINC000589512777 468158363 /nfs/dbraw/zinc/15/83/63/468158363.db2.gz DUKLILLISXEWFB-INIZCTEOSA-N 0 3 335.404 2.153 20 5 EEBDHN COCCN(CCN(C)C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000519698416 468196205 /nfs/dbraw/zinc/19/62/05/468196205.db2.gz AHRQRNHORLYNMM-UHFFFAOYSA-N 0 3 337.420 2.170 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195987 468508541 /nfs/dbraw/zinc/50/85/41/468508541.db2.gz JTRNOKDAVUBLOI-LSDHHAIUSA-N 0 3 343.387 2.218 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000583853401 468764713 /nfs/dbraw/zinc/76/47/13/468764713.db2.gz NZJCJMXYTXBTDQ-APHBMKBZSA-N 0 3 333.388 2.245 20 5 EEBDHN O=C(C[C@H]1CSCCN1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965755 468829161 /nfs/dbraw/zinc/82/91/61/468829161.db2.gz IFTLDQLOHOOCGB-ZDUSSCGKSA-N 0 3 335.429 2.181 20 5 EEBDHN CNc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560759893 468845563 /nfs/dbraw/zinc/84/55/63/468845563.db2.gz ICSSSTSPLSJDIO-OCCSQVGLSA-N 0 3 332.404 2.335 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595595025 468915986 /nfs/dbraw/zinc/91/59/86/468915986.db2.gz AURLPYRWXQILBO-MRXNPFEDSA-N 0 3 338.379 2.391 20 5 EEBDHN COc1ccc(C2(NCCn3ccc([N+](=O)[O-])n3)CCOCC2)cc1 ZINC000610485053 468983102 /nfs/dbraw/zinc/98/31/02/468983102.db2.gz GZDSNBDYNYMXKR-UHFFFAOYSA-N 0 3 346.387 2.095 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN(CCN1CCOCC1)CC1CC1 ZINC000595807146 469022616 /nfs/dbraw/zinc/02/26/16/469022616.db2.gz IMRGKGXOEJDXHG-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610719354 469048949 /nfs/dbraw/zinc/04/89/49/469048949.db2.gz KKBMAAQMIOYWMQ-HNNXBMFYSA-N 0 3 334.420 2.311 20 5 EEBDHN COc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000573167033 469073867 /nfs/dbraw/zinc/07/38/67/469073867.db2.gz SRPLCVXXAPSDDW-UHFFFAOYSA-N 0 3 348.355 2.486 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@H]1CCCc2ccccc21 ZINC000602790589 469076363 /nfs/dbraw/zinc/07/63/63/469076363.db2.gz LYXHEPRYUGYDOY-KRWDZBQOSA-N 0 3 344.415 2.472 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000593656734 469081294 /nfs/dbraw/zinc/08/12/94/469081294.db2.gz PAVMYFCDQNZPFK-HNNXBMFYSA-N 0 3 335.379 2.410 20 5 EEBDHN COc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000596070662 469139221 /nfs/dbraw/zinc/13/92/21/469139221.db2.gz RCTAZOSFRMADST-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CCC(C)CC1 ZINC000596488257 469282138 /nfs/dbraw/zinc/28/21/38/469282138.db2.gz PFNFPUUTFGOHPO-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN CCn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)n1 ZINC000603428885 469392319 /nfs/dbraw/zinc/39/23/19/469392319.db2.gz XXWDINDXHUVVCF-UHFFFAOYSA-N 0 3 340.387 2.465 20 5 EEBDHN C[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483572 469477566 /nfs/dbraw/zinc/47/75/66/469477566.db2.gz DECYWPXXBHGFMG-WCQYABFASA-N 0 3 335.379 2.438 20 5 EEBDHN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000609839733 469964846 /nfs/dbraw/zinc/96/48/46/469964846.db2.gz HLXUXQXRMMNZMY-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(CC(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000610291494 470000565 /nfs/dbraw/zinc/00/05/65/470000565.db2.gz BDDMTLKXJLGLLZ-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173991861 528290094 /nfs/dbraw/zinc/29/00/94/528290094.db2.gz MUHAOZSTOKMQEU-AWEZNQCLSA-N 0 3 341.433 2.008 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173995861 528291101 /nfs/dbraw/zinc/29/11/01/528291101.db2.gz FHFQHYMDTLJYHP-ZDUSSCGKSA-N 0 3 341.433 2.008 20 5 EEBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000183755048 529295425 /nfs/dbraw/zinc/29/54/25/529295425.db2.gz SXWNDTLLFAVWKR-KRWDZBQOSA-N 0 3 343.431 2.388 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533250 535856403 /nfs/dbraw/zinc/85/64/03/535856403.db2.gz OMNCNUFLFXHCKG-JEJOPICUSA-N 0 3 347.415 2.177 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000727673542 576443453 /nfs/dbraw/zinc/44/34/53/576443453.db2.gz QHPINNLFVLQFHW-CYBMUJFWSA-N 0 3 335.404 2.137 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521146 576662908 /nfs/dbraw/zinc/66/29/08/576662908.db2.gz BPJGNGUBUZGGEQ-CHWSQXEVSA-N 0 3 334.420 2.478 20 5 EEBDHN CCCc1n[n-]c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000731809649 577126207 /nfs/dbraw/zinc/12/62/07/577126207.db2.gz ZAOXQQBPTJCVNZ-UHFFFAOYSA-N 0 3 334.380 2.020 20 5 EEBDHN CN1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000771927179 577239209 /nfs/dbraw/zinc/23/92/09/577239209.db2.gz IWOGJMPQSSCNLP-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773103988 577315954 /nfs/dbraw/zinc/31/59/54/577315954.db2.gz CXWZEUCTKJRQEK-GFCCVEGCSA-N 0 3 347.337 2.467 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NOC2CCN(C)CC2)c1 ZINC000773544612 577349237 /nfs/dbraw/zinc/34/92/37/577349237.db2.gz CYJIZNPJNDVGBX-UHFFFAOYSA-N 0 3 325.390 2.072 20 5 EEBDHN CCN1CCC[C@H]1CNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758267610 577620486 /nfs/dbraw/zinc/62/04/86/577620486.db2.gz JIEQKBFVTGJFIP-HNNXBMFYSA-N 0 3 336.461 2.086 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000758480180 577625570 /nfs/dbraw/zinc/62/55/70/577625570.db2.gz GQYCJFLAACKOAW-QGZVFWFLSA-N 0 3 342.399 2.413 20 5 EEBDHN CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736350986 578198231 /nfs/dbraw/zinc/19/82/31/578198231.db2.gz PCFFVVPSFPLJLH-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736350986 578198232 /nfs/dbraw/zinc/19/82/32/578198232.db2.gz PCFFVVPSFPLJLH-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN Cc1ccoc1CC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020562698 675137877 /nfs/dbraw/zinc/13/78/77/675137877.db2.gz KZBKTNYRMIGNCD-SHTZXODSSA-N 0 3 343.383 2.476 20 5 EEBDHN C[C@H](CNC(=O)NCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000891649349 676751475 /nfs/dbraw/zinc/75/14/75/676751475.db2.gz PIQCROHVEFREPG-CQSZACIVSA-N 0 3 334.420 2.483 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934575865 678542849 /nfs/dbraw/zinc/54/28/49/678542849.db2.gz OQYPFQNRQGOHAA-JKEMJCCQSA-N 0 3 329.400 2.297 20 5 EEBDHN C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCN1C ZINC000895245031 684368994 /nfs/dbraw/zinc/36/89/94/684368994.db2.gz CKDYKRYVCHNNFP-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330354 684505907 /nfs/dbraw/zinc/50/59/07/684505907.db2.gz LKEHNOQEQURIHV-RHSMWYFYSA-N 0 3 332.356 2.172 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000027752203 694367261 /nfs/dbraw/zinc/36/72/61/694367261.db2.gz PLOAMHLRVMKZLI-CYBMUJFWSA-N 0 3 334.420 2.265 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cnn(CC3CCC3)c2)c1 ZINC000905640826 1189841368 /nfs/dbraw/zinc/84/13/68/1189841368.db2.gz OUBSHQYDUAJFCD-QGZVFWFLSA-N 0 3 330.388 2.415 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346013 1199909283 /nfs/dbraw/zinc/90/92/83/1199909283.db2.gz NEDXSMMQKZGODX-AWEZNQCLSA-N 0 3 341.367 2.048 20 5 EEBDHN CCCc1[nH]ccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132687264 1199928182 /nfs/dbraw/zinc/92/81/82/1199928182.db2.gz YDJWAGBZUXMBND-UHFFFAOYSA-N 0 3 330.388 2.395 20 5 EEBDHN CCc1nc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)no1 ZINC000813107690 1201117572 /nfs/dbraw/zinc/11/75/72/1201117572.db2.gz UJYFFIIDHWGGMP-JTQLQIEISA-N 0 3 335.316 2.033 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000866369689 1201501207 /nfs/dbraw/zinc/50/12/07/1201501207.db2.gz NCZBZRFIFMHZDB-KCPJHIHWSA-N 0 3 335.379 2.408 20 5 EEBDHN CCCN(C)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095361790 1204183818 /nfs/dbraw/zinc/18/38/18/1204183818.db2.gz RXFXZCNMIYEPOU-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048734075 1238465747 /nfs/dbraw/zinc/46/57/47/1238465747.db2.gz FUDFAFIBODDEOP-CALCHBBNSA-N 0 3 341.411 2.451 20 5 EEBDHN Cc1ccc(N2CCN(C(=O)CN(C)C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001056062648 1238662746 /nfs/dbraw/zinc/66/27/46/1238662746.db2.gz PVCYMIHFSPQMRG-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097190873 1243828034 /nfs/dbraw/zinc/82/80/34/1243828034.db2.gz VRNCIIYRVRIRGT-BETUJISGSA-N 0 3 338.383 2.133 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104529039 1285221169 /nfs/dbraw/zinc/22/11/69/1285221169.db2.gz PDGDZQVDRJDOLC-UHFFFAOYSA-N 0 3 338.364 2.163 20 5 EEBDHN COCCN1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225848401 1301173683 /nfs/dbraw/zinc/17/36/83/1301173683.db2.gz XCTZCYQMLYHRJC-UHFFFAOYSA-N 0 3 349.309 2.498 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570893 1314502919 /nfs/dbraw/zinc/50/29/19/1314502919.db2.gz UPJCECQOWQDVCU-PQEBFOHHSA-N 0 3 329.400 2.393 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000838186056 1315141795 /nfs/dbraw/zinc/14/17/95/1315141795.db2.gz NCAHSRPLESUBSP-UHFFFAOYSA-N 0 3 348.428 2.443 20 5 EEBDHN Cc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)sc1C ZINC001151448260 1316536545 /nfs/dbraw/zinc/53/65/45/1316536545.db2.gz LOESJQQCSMKWJA-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1C(C)C ZINC001153890344 1316909450 /nfs/dbraw/zinc/90/94/50/1316909450.db2.gz DTFLSJIUOYPHAG-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001155461573 1317606915 /nfs/dbraw/zinc/60/69/15/1317606915.db2.gz GMBNYTUGICCZNC-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3ncccn3)CC1)C2 ZINC001254602100 1318140940 /nfs/dbraw/zinc/14/09/40/1318140940.db2.gz BEZIGZWKZBVFRS-INIZCTEOSA-N 0 3 340.383 2.395 20 5 EEBDHN CC(C)N1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001158495483 1319269971 /nfs/dbraw/zinc/26/99/71/1319269971.db2.gz SKPGVYAHCDOXID-UZYOAWRESA-N 0 3 333.436 2.441 20 5 EEBDHN Cc1ccc(-c2ccc(N[C@@H](C)[C@H]3CNCCO3)nn2)cc1[N+](=O)[O-] ZINC001159498355 1319838059 /nfs/dbraw/zinc/83/80/59/1319838059.db2.gz LBUFNZVWZFRDAA-BLLLJJGKSA-N 0 3 343.387 2.149 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001331680144 1335057498 /nfs/dbraw/zinc/05/74/98/1335057498.db2.gz MQRKZLBKRGPFJY-FZMZJTMJSA-N 0 3 330.388 2.245 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001333710540 1336111647 /nfs/dbraw/zinc/11/16/47/1336111647.db2.gz LKAMSYOOILRWGY-CHWSQXEVSA-N 0 3 338.408 2.300 20 5 EEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480935 1336382681 /nfs/dbraw/zinc/38/26/81/1336382681.db2.gz DBNCLHXAKWRWAQ-XZJROXQQSA-N 0 3 334.372 2.356 20 5 EEBDHN CO[C@](C)([C@@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997308 1351049228 /nfs/dbraw/zinc/04/92/28/1351049228.db2.gz BILMEVXITOPHMD-QLJPJBMISA-N 0 3 346.391 2.068 20 5 EEBDHN CO[C@](C)([C@@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997308 1351049231 /nfs/dbraw/zinc/04/92/31/1351049231.db2.gz BILMEVXITOPHMD-QLJPJBMISA-N 0 3 346.391 2.068 20 5 EEBDHN Cc1cc(NCCC[NH+]2CCCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733831 1351219866 /nfs/dbraw/zinc/21/98/66/1351219866.db2.gz NCLZWMJQYRJTNC-UHFFFAOYSA-N 0 3 345.407 2.371 20 5 EEBDHN Cc1cc(NCCC[NH+]2CCCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733831 1351219868 /nfs/dbraw/zinc/21/98/68/1351219868.db2.gz NCLZWMJQYRJTNC-UHFFFAOYSA-N 0 3 345.407 2.371 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607081598 1351410388 /nfs/dbraw/zinc/41/03/88/1351410388.db2.gz HZMIPYJBNSLNQF-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001607081598 1351410391 /nfs/dbraw/zinc/41/03/91/1351410391.db2.gz HZMIPYJBNSLNQF-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607081598 1351410393 /nfs/dbraw/zinc/41/03/93/1351410393.db2.gz HZMIPYJBNSLNQF-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001607081598 1351410394 /nfs/dbraw/zinc/41/03/94/1351410394.db2.gz HZMIPYJBNSLNQF-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000853161676 1369321719 /nfs/dbraw/zinc/32/17/19/1369321719.db2.gz XJFUJVLDNPVRJL-GFCCVEGCSA-N 0 3 340.811 2.120 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100546898 1373077105 /nfs/dbraw/zinc/07/71/05/1373077105.db2.gz XBGFYATULFSQPD-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ncoc1C ZINC001754036054 1406817971 /nfs/dbraw/zinc/81/79/71/1406817971.db2.gz DFUBYLJHPNTQPQ-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN CC(C)(C)n1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001128579305 783188561 /nfs/dbraw/zinc/18/85/61/783188561.db2.gz OUOFQSLBJOWJGO-UHFFFAOYSA-N 0 3 345.403 2.066 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091490500 791002035 /nfs/dbraw/zinc/00/20/35/791002035.db2.gz XDGMVJILGYSIPG-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817677602 784914409 /nfs/dbraw/zinc/91/44/09/784914409.db2.gz ZSFSBWPUYSSJQK-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000820885335 786514049 /nfs/dbraw/zinc/51/40/49/786514049.db2.gz FVBUPODIRQKRRG-OAHLLOKOSA-N 0 3 347.415 2.195 20 5 EEBDHN O=C(N1CCC(NCc2csc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC000996986574 788348176 /nfs/dbraw/zinc/34/81/76/788348176.db2.gz BDEOJKMRZDXBHE-UHFFFAOYSA-N 0 3 341.408 2.487 20 5 EEBDHN CC(COC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000845575070 789850202 /nfs/dbraw/zinc/85/02/02/789850202.db2.gz FUXPKONVAIOKPH-GRYCIOLGSA-N 0 3 330.381 2.278 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845876615 789971829 /nfs/dbraw/zinc/97/18/29/789971829.db2.gz PQCZVAAOTBIREF-BDJLRTHQSA-N 0 3 335.335 2.442 20 5 EEBDHN Cc1c(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845883292 789974407 /nfs/dbraw/zinc/97/44/07/789974407.db2.gz RLCZDISPYGHVAA-ZBEGNZNMSA-N 0 3 335.335 2.360 20 5 EEBDHN CC(C)c1oncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146440939 791268952 /nfs/dbraw/zinc/26/89/52/791268952.db2.gz DHRAUHTYXCYJBZ-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CC(C)Cc1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001127267685 795074101 /nfs/dbraw/zinc/07/41/01/795074101.db2.gz YJSBCQWVMLQCHB-UHFFFAOYSA-N 0 3 345.403 2.036 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](CO)[C@H]2C)c1F ZINC001173180088 797278554 /nfs/dbraw/zinc/27/85/54/797278554.db2.gz IIBAXCFQKJYNTG-UTUOFQBUSA-N 0 3 326.368 2.376 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CC(C)C)C(N)=O)c1F ZINC001173181108 797279331 /nfs/dbraw/zinc/27/93/31/797279331.db2.gz ATNWDNPADAYWLX-ZYHUDNBSSA-N 0 3 341.383 2.163 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(C)(N(C)C)C2)c1F ZINC001173196805 797283435 /nfs/dbraw/zinc/28/34/35/797283435.db2.gz PBQJHUNHFIHZPV-LLVKDONJSA-N 0 3 325.384 2.309 20 5 EEBDHN COCCOc1cc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173226552 797310666 /nfs/dbraw/zinc/31/06/66/797310666.db2.gz XQUNTOSLEFORHO-ZDUSSCGKSA-N 0 3 346.387 2.131 20 5 EEBDHN CCOc1cccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039762 803582718 /nfs/dbraw/zinc/58/27/18/803582718.db2.gz SXVKPNFXNTZJKV-HUUCEWRRSA-N 0 3 334.420 2.048 20 5 EEBDHN COc1ccc(CN2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022455 803589210 /nfs/dbraw/zinc/58/92/10/803589210.db2.gz BSEJHXABJPSRLJ-DLBZAZTESA-N 0 3 333.432 2.258 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1c[nH]nc1C1CC1 ZINC001169994797 805373060 /nfs/dbraw/zinc/37/30/60/805373060.db2.gz XJJWXOVDFNDFTJ-UHFFFAOYSA-N 0 3 349.416 2.167 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000788417796 807526101 /nfs/dbraw/zinc/52/61/01/807526101.db2.gz WFKMRKRHLGGWEP-UHFFFAOYSA-N 0 3 336.369 2.424 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCc3nccn3CC2)c([N+](=O)[O-])c1 ZINC001170350477 809919048 /nfs/dbraw/zinc/91/90/48/809919048.db2.gz AIDIGOQQNSOZFO-ZDUSSCGKSA-N 0 3 330.388 2.289 20 5 EEBDHN COCc1csc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001130879480 812148822 /nfs/dbraw/zinc/14/88/22/812148822.db2.gz NSOBLIOKUNTZOY-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994182 214263416 /nfs/dbraw/zinc/26/34/16/214263416.db2.gz FHWAIKICZGWFIX-ZBFHGGJFSA-N 0 3 347.415 2.227 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000103971622 219334441 /nfs/dbraw/zinc/33/44/41/219334441.db2.gz LMYXHFIZDOJHSY-ZDUSSCGKSA-N 0 3 345.403 2.037 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1(N(C)C)CCC1 ZINC000186972239 236082464 /nfs/dbraw/zinc/08/24/64/236082464.db2.gz MZVCFGMTKDSIJR-ZDUSSCGKSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000421891919 240044859 /nfs/dbraw/zinc/04/48/59/240044859.db2.gz KXVTXMOREKSRPL-OAHLLOKOSA-N 0 3 349.431 2.442 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000449662411 242590167 /nfs/dbraw/zinc/59/01/67/242590167.db2.gz LKWCCIVHTSMCQT-NSHDSACASA-N 0 3 331.344 2.044 20 5 EEBDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000451888785 243294401 /nfs/dbraw/zinc/29/44/01/243294401.db2.gz JLJKSVOJJPURDS-GFCCVEGCSA-N 0 3 331.376 2.491 20 5 EEBDHN CCOc1cc(CNC2(CO)CCSCC2)ccc1[N+](=O)[O-] ZINC000459685893 245208935 /nfs/dbraw/zinc/20/89/35/245208935.db2.gz AHCURRDHEQAEQZ-UHFFFAOYSA-N 0 3 326.418 2.341 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760346 245241072 /nfs/dbraw/zinc/24/10/72/245241072.db2.gz MHPZZEYFQRIMEY-JKSUJKDBSA-N 0 3 345.399 2.031 20 5 EEBDHN CCOC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713923 245222290 /nfs/dbraw/zinc/22/22/90/245222290.db2.gz OFFRFKCSEZTFBG-GJZGRUSLSA-N 0 3 338.404 2.226 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264062782 246029663 /nfs/dbraw/zinc/02/96/63/246029663.db2.gz AKWFVIOFYVODFC-OAHLLOKOSA-N 0 3 330.388 2.102 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492124261 246312551 /nfs/dbraw/zinc/31/25/51/246312551.db2.gz HUQOWKBBFCWBAO-GMILVAEPSA-N 0 3 333.363 2.346 20 5 EEBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000264307354 246327144 /nfs/dbraw/zinc/32/71/44/246327144.db2.gz MWOWJIVRYJWHFM-UHFFFAOYSA-N 0 3 330.388 2.435 20 5 EEBDHN CC(COC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[N+](=O)[O-] ZINC000496001246 247262757 /nfs/dbraw/zinc/26/27/57/247262757.db2.gz FXUBTSKAOHRQQV-VIFPVBQESA-N 0 3 325.321 2.251 20 5 EEBDHN CCOC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496235010 247395742 /nfs/dbraw/zinc/39/57/42/247395742.db2.gz QPHKEQJYCCMLHQ-QMTHXVAHSA-N 0 3 342.323 2.211 20 5 EEBDHN C[C@H](CCO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000093303513 218212539 /nfs/dbraw/zinc/21/25/39/218212539.db2.gz MGINKPHYBGJIPJ-OAHLLOKOSA-N 0 3 345.399 2.030 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCc2ccccc2)[C@H]2CCOC2)n1 ZINC000177148709 285167917 /nfs/dbraw/zinc/16/79/17/285167917.db2.gz GLOUXQGWGZTQBG-INIZCTEOSA-N 0 3 330.388 2.125 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000270611384 256153346 /nfs/dbraw/zinc/15/33/46/256153346.db2.gz ZFQOBKDHOFMYPQ-CQSZACIVSA-N 0 3 331.347 2.385 20 5 EEBDHN COCCN1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272857857 256243911 /nfs/dbraw/zinc/24/39/11/256243911.db2.gz PYKCLRBALZWGHC-UHFFFAOYSA-N 0 3 330.388 2.220 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)CC ZINC000271185927 256217647 /nfs/dbraw/zinc/21/76/47/256217647.db2.gz WPWWTMXJYJIMSH-LBPRGKRZSA-N 0 3 346.474 2.490 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000273366073 256290225 /nfs/dbraw/zinc/29/02/25/256290225.db2.gz KHDFEGWVIZORPP-LBPRGKRZSA-N 0 3 331.376 2.316 20 5 EEBDHN CN(C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000273517938 256303123 /nfs/dbraw/zinc/30/31/23/256303123.db2.gz XYYPLLYZVQFKIN-AWEZNQCLSA-N 0 3 342.396 2.293 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014979 256346126 /nfs/dbraw/zinc/34/61/26/256346126.db2.gz MBVKOZHEGLBEOZ-IJLUTSLNSA-N 0 3 337.376 2.099 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CNC(=O)N2C)CC1 ZINC000425370736 533407580 /nfs/dbraw/zinc/40/75/80/533407580.db2.gz JVXLHWWDXGWYNR-GXDHUFHOSA-N 0 3 344.415 2.488 20 5 EEBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000173500833 152171058 /nfs/dbraw/zinc/17/10/58/152171058.db2.gz DMMNEQLJZINYNA-GJZGRUSLSA-N 0 3 348.447 2.268 20 5 EEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377162880 154068085 /nfs/dbraw/zinc/06/80/85/154068085.db2.gz ODSJTIBMOFPDRP-MRXNPFEDSA-N 0 3 346.431 2.014 20 5 EEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829099 160253089 /nfs/dbraw/zinc/25/30/89/160253089.db2.gz GBDUSUFFBYCNEE-WMLDXEAASA-N 0 3 344.415 2.316 20 5 EEBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000246138085 160263786 /nfs/dbraw/zinc/26/37/86/160263786.db2.gz DMMNEQLJZINYNA-LSDHHAIUSA-N 0 3 348.447 2.268 20 5 EEBDHN CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247571355 160329453 /nfs/dbraw/zinc/32/94/53/160329453.db2.gz RUMXVGRPRGUYNI-UKRRQHHQSA-N 0 3 326.418 2.162 20 5 EEBDHN CC(=O)c1cc(NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000342214865 161048224 /nfs/dbraw/zinc/04/82/24/161048224.db2.gz YUWSOYAAFWLAJM-HNNXBMFYSA-N 0 3 335.404 2.302 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(CC3CCCC3)C2)n1 ZINC000342295011 161054282 /nfs/dbraw/zinc/05/42/82/161054282.db2.gz PBWQWAPZRWWIOG-CYBMUJFWSA-N 0 3 348.403 2.453 20 5 EEBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000344359078 161220342 /nfs/dbraw/zinc/22/03/42/161220342.db2.gz XLYHLMFAUNPEHZ-UONOGXRCSA-N 0 3 334.420 2.386 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000345017024 161264168 /nfs/dbraw/zinc/26/41/68/161264168.db2.gz RMLTUFFUZLXRCH-KBPBESRZSA-N 0 3 335.404 2.271 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(C(N)=O)nc1 ZINC000345044811 161266332 /nfs/dbraw/zinc/26/63/32/161266332.db2.gz RCVAIUXHTAEIOG-GHXNOFRVSA-N 0 3 326.356 2.282 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000346405413 161369540 /nfs/dbraw/zinc/36/95/40/161369540.db2.gz ZGYATOUEIBDSQJ-HNNXBMFYSA-N 0 3 330.388 2.274 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000123801423 222334213 /nfs/dbraw/zinc/33/42/13/222334213.db2.gz XCTCWCAEWQHMIV-OAHLLOKOSA-N 0 3 349.412 2.136 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000272092444 274165069 /nfs/dbraw/zinc/16/50/69/274165069.db2.gz YGUWURBDPUCAGD-UKRRQHHQSA-N 0 3 325.434 2.081 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264627285 274203095 /nfs/dbraw/zinc/20/30/95/274203095.db2.gz SVDSVBBHRVSAKT-YOEHRIQHSA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970290 274315224 /nfs/dbraw/zinc/31/52/24/274315224.db2.gz YOYKVOBQFOVYGY-BETUJISGSA-N 0 3 333.388 2.189 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000278274759 274342685 /nfs/dbraw/zinc/34/26/85/274342685.db2.gz FSBTUTGQRQMBEK-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN CCc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278740099 274397637 /nfs/dbraw/zinc/39/76/37/274397637.db2.gz WPONWURWVYTZPM-AWEZNQCLSA-N 0 3 349.431 2.388 20 5 EEBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743067 274398095 /nfs/dbraw/zinc/39/80/95/274398095.db2.gz VPDDRKRSCJCHJF-YVEFUNNKSA-N 0 3 332.356 2.484 20 5 EEBDHN COc1ccc(C[C@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289433701 275115696 /nfs/dbraw/zinc/11/56/96/275115696.db2.gz LDIGCWXJXWFYDM-HNNXBMFYSA-N 0 3 346.383 2.250 20 5 EEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000289553577 275127048 /nfs/dbraw/zinc/12/70/48/275127048.db2.gz NFKIGYJHNSSVFC-LLVKDONJSA-N 0 3 347.412 2.049 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000044670853 276173736 /nfs/dbraw/zinc/17/37/36/276173736.db2.gz JSGBWOOEUYZDBE-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536709 294002007 /nfs/dbraw/zinc/00/20/07/294002007.db2.gz SAWINLYTUKPPDE-WQGACYEGSA-N 0 3 332.404 2.438 20 5 EEBDHN Cc1c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000346719209 300914719 /nfs/dbraw/zinc/91/47/19/300914719.db2.gz KVDOYJFIVXNEIY-CQSZACIVSA-N 0 3 335.404 2.086 20 5 EEBDHN COc1cc(Cc2noc([C@H]3CCN(C)C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000350314538 312320980 /nfs/dbraw/zinc/32/09/80/312320980.db2.gz CIEAPVQFIQWVQI-JTQLQIEISA-N 0 3 348.359 2.005 20 5 EEBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408269 315960442 /nfs/dbraw/zinc/96/04/42/315960442.db2.gz AZVQLZJUVTUAMU-ZFWWWQNUSA-N 0 3 341.795 2.327 20 5 EEBDHN O=C(CN[C@H](CO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000541985031 318119710 /nfs/dbraw/zinc/11/97/10/318119710.db2.gz SPMCPGABPMDXCT-MRXNPFEDSA-N 0 3 347.415 2.015 20 5 EEBDHN Cc1noc(C)c1CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574512763 320031559 /nfs/dbraw/zinc/03/15/59/320031559.db2.gz WPWWJDPFWFTSTJ-UHFFFAOYSA-N 0 3 332.360 2.361 20 5 EEBDHN CC[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000576230374 320153334 /nfs/dbraw/zinc/15/33/34/320153334.db2.gz FMNNQWCJABZCDY-CYBMUJFWSA-N 0 3 343.387 2.151 20 5 EEBDHN CS[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296042550 465060764 /nfs/dbraw/zinc/06/07/64/465060764.db2.gz AOLNORPMPGAMNT-NSHDSACASA-N 0 3 327.381 2.500 20 5 EEBDHN CN1CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000520826284 468273914 /nfs/dbraw/zinc/27/39/14/468273914.db2.gz KAVICUKZNSUJTL-CYBMUJFWSA-N 0 3 330.388 2.008 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000060380201 462545391 /nfs/dbraw/zinc/54/53/91/462545391.db2.gz WAMQWUHNIQZMIW-AWEZNQCLSA-N 0 3 348.447 2.483 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000060645023 462562012 /nfs/dbraw/zinc/56/20/12/462562012.db2.gz JUWQPDBKZKAUEZ-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000590688611 468306743 /nfs/dbraw/zinc/30/67/43/468306743.db2.gz WGEYUBJQIQCWAZ-SJORKVTESA-N 0 3 342.399 2.178 20 5 EEBDHN CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775105 462634018 /nfs/dbraw/zinc/63/40/18/462634018.db2.gz KVMKLQPUHQPNNF-OAHLLOKOSA-N 0 3 329.404 2.429 20 5 EEBDHN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000076023470 462788867 /nfs/dbraw/zinc/78/88/67/462788867.db2.gz KHYRJAZPBHOIBG-NSHDSACASA-N 0 3 343.449 2.387 20 5 EEBDHN O=C(NCC1CC1)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000047978864 462844194 /nfs/dbraw/zinc/84/41/94/462844194.db2.gz GBPUTGBMOXFMBW-HNNXBMFYSA-N 0 3 347.415 2.212 20 5 EEBDHN Nc1nc(NC2CCN(CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000076711181 462901812 /nfs/dbraw/zinc/90/18/12/462901812.db2.gz OGWVFUDAHWSIJP-UHFFFAOYSA-N 0 3 342.403 2.086 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000067139707 462969134 /nfs/dbraw/zinc/96/91/34/462969134.db2.gz UXNXJIUWXIHJFG-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000077841847 463061321 /nfs/dbraw/zinc/06/13/21/463061321.db2.gz GOZHCZWUEORHOW-AWEZNQCLSA-N 0 3 349.435 2.180 20 5 EEBDHN COc1cc(N2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000078293085 463101101 /nfs/dbraw/zinc/10/11/01/463101101.db2.gz QUXVKHDTTMRRFM-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026161619 463152434 /nfs/dbraw/zinc/15/24/34/463152434.db2.gz QHWWHAUZLJPRGR-UHFFFAOYSA-N 0 3 349.387 2.199 20 5 EEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000079033795 463181976 /nfs/dbraw/zinc/18/19/76/463181976.db2.gz TXNCHLMLTXMPIX-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN COc1ccc(CC(=O)N2CCCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000069575473 463280394 /nfs/dbraw/zinc/28/03/94/463280394.db2.gz SJCGJMZLYAKZNF-CQSZACIVSA-N 0 3 335.404 2.089 20 5 EEBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000032737405 463391173 /nfs/dbraw/zinc/39/11/73/463391173.db2.gz JKWQOSOFXMDOPH-KBPBESRZSA-N 0 3 335.404 2.353 20 5 EEBDHN COC(=O)CCN(Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000072305026 463507023 /nfs/dbraw/zinc/50/70/23/463507023.db2.gz IEBYXWCQWHTMOH-UHFFFAOYSA-N 0 3 336.388 2.447 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108303818 463595247 /nfs/dbraw/zinc/59/52/47/463595247.db2.gz JTTYIODJSAIFFZ-CYBMUJFWSA-N 0 3 335.429 2.287 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151972737 463624240 /nfs/dbraw/zinc/62/42/40/463624240.db2.gz AQYLEYPJLOXBAM-RNCFNFMXSA-N 0 3 327.331 2.285 20 5 EEBDHN CCOc1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000276870555 463789025 /nfs/dbraw/zinc/78/90/25/463789025.db2.gz HODWFSXCMRRNRS-MRXNPFEDSA-N 0 3 349.431 2.148 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000177809656 463797148 /nfs/dbraw/zinc/79/71/48/463797148.db2.gz SDRWWQYWFIZLMQ-KGLIPLIRSA-N 0 3 333.388 2.302 20 5 EEBDHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283248499 463818301 /nfs/dbraw/zinc/81/83/01/463818301.db2.gz JSGIXZYEVYOHQP-UHFFFAOYSA-N 0 3 343.383 2.418 20 5 EEBDHN C[C@@H]1C[C@@H](C)CN(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770089 468386214 /nfs/dbraw/zinc/38/62/14/468386214.db2.gz OXRJGWAESHIFCL-VXGBXAGGSA-N 0 3 331.372 2.169 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269398007 463976755 /nfs/dbraw/zinc/97/67/55/463976755.db2.gz NFLYALHFSHGYNI-LBPRGKRZSA-N 0 3 337.424 2.436 20 5 EEBDHN CCc1[nH]nc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000172094012 463987077 /nfs/dbraw/zinc/98/70/77/463987077.db2.gz ZBYMOAPLDZPBFC-UHFFFAOYSA-N 0 3 349.435 2.217 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972477 468388117 /nfs/dbraw/zinc/38/81/17/468388117.db2.gz YMFVXDCOANAWPC-DOMZBBRYSA-N 0 3 349.387 2.043 20 5 EEBDHN Cc1nn(C)c(NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000263714947 464164262 /nfs/dbraw/zinc/16/42/62/464164262.db2.gz NSSOXIOHPPPXPW-UHFFFAOYSA-N 0 3 333.392 2.189 20 5 EEBDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292625545 464290546 /nfs/dbraw/zinc/29/05/46/464290546.db2.gz YFDUAYHOUVYWEZ-AWEZNQCLSA-N 0 3 334.420 2.338 20 5 EEBDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292625551 464290709 /nfs/dbraw/zinc/29/07/09/464290709.db2.gz YFDUAYHOUVYWEZ-CQSZACIVSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000281448061 464458508 /nfs/dbraw/zinc/45/85/08/464458508.db2.gz FBKQJKCXUZQNCL-GDBMZVCRSA-N 0 3 347.415 2.225 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294364098 464479389 /nfs/dbraw/zinc/47/93/89/464479389.db2.gz ZCHZLGWESDWBDB-GOSISDBHSA-N 0 3 346.431 2.341 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000272417422 464601423 /nfs/dbraw/zinc/60/14/23/464601423.db2.gz ZQYMUSMCPXKTCA-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN C[C@H](NC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294988112 464671808 /nfs/dbraw/zinc/67/18/08/464671808.db2.gz HHXXVZABJVVIJB-LBPRGKRZSA-N 0 3 333.388 2.105 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)C3CCCCC3)C2)nc1 ZINC000190878491 464738795 /nfs/dbraw/zinc/73/87/95/464738795.db2.gz MQPIDYZANFTPCS-HOCLYGCPSA-N 0 3 334.420 2.417 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)cc1C ZINC000192027714 464852802 /nfs/dbraw/zinc/85/28/02/464852802.db2.gz IISCUSFMUQROOB-CYBMUJFWSA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000342471408 465323743 /nfs/dbraw/zinc/32/37/43/465323743.db2.gz JCZCQFASHVOABE-HIFRSBDPSA-N 0 3 336.411 2.196 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339619832 465392086 /nfs/dbraw/zinc/39/20/86/465392086.db2.gz YESUIMPSISGKJW-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN(Cc1ccncc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298686501 465472408 /nfs/dbraw/zinc/47/24/08/465472408.db2.gz PIEQENICNTVBIU-HNNXBMFYSA-N 0 3 331.372 2.252 20 5 EEBDHN CCN(Cc1ccncc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298707014 465478362 /nfs/dbraw/zinc/47/83/62/465478362.db2.gz YCHNEXFSKQYABA-INIZCTEOSA-N 0 3 331.372 2.252 20 5 EEBDHN Cn1nccc1[C@H]1OCC[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579303 465530626 /nfs/dbraw/zinc/53/06/26/465530626.db2.gz KFZNTNJAJMZVSB-KDOFPFPSSA-N 0 3 342.399 2.464 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NC3CC(N4CCCCC4)C3)n2)cc1 ZINC000360115692 465536091 /nfs/dbraw/zinc/53/60/91/465536091.db2.gz NTNSEOYONSUUIZ-UHFFFAOYSA-N 0 3 343.387 3.074 20 5 EEBDHN O=C(CCN1CC[C@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000353029194 465588059 /nfs/dbraw/zinc/58/80/59/465588059.db2.gz PIYXCFCRKARSKU-NSHDSACASA-N 0 3 343.330 2.485 20 5 EEBDHN Cc1ccc(CNCCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337881528 465652390 /nfs/dbraw/zinc/65/23/90/465652390.db2.gz YNPOLWJLVLOTMN-UHFFFAOYSA-N 0 3 338.371 2.211 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000344549752 465666487 /nfs/dbraw/zinc/66/64/87/465666487.db2.gz ORZGLHPLDPLLPK-IBGZPJMESA-N 0 3 341.411 2.321 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000356973130 465669557 /nfs/dbraw/zinc/66/95/57/465669557.db2.gz IGCUHCDYTVYRGP-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000330605583 465727841 /nfs/dbraw/zinc/72/78/41/465727841.db2.gz ZHPFEKWSRRETTF-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119415 465777518 /nfs/dbraw/zinc/77/75/18/465777518.db2.gz IQWMKRLTAMLGRW-ABAIWWIYSA-N 0 3 335.335 2.219 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000330782113 465801886 /nfs/dbraw/zinc/80/18/86/465801886.db2.gz GOLOBGQLWOJTDF-UHFFFAOYSA-N 0 3 341.433 2.058 20 5 EEBDHN CC[C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)N(CC)CC ZINC000346210270 465994441 /nfs/dbraw/zinc/99/44/41/465994441.db2.gz ANJYDBLBNHTGCT-CQSZACIVSA-N 0 3 337.376 2.440 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331393141 466062541 /nfs/dbraw/zinc/06/25/41/466062541.db2.gz KOKAOOBEHQLFCC-NSHDSACASA-N 0 3 335.408 2.188 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367059731 466101510 /nfs/dbraw/zinc/10/15/10/466101510.db2.gz JZCVHHKCHVHGRH-CVEARBPZSA-N 0 3 332.448 2.365 20 5 EEBDHN CC1CCC(O)(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000305227037 466384970 /nfs/dbraw/zinc/38/49/70/466384970.db2.gz KUQLNPXCUNNDAG-UUCFBXCCSA-N 0 3 334.420 2.417 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000597236097 468491158 /nfs/dbraw/zinc/49/11/58/468491158.db2.gz NVVPODRXNDQJNA-SCLBCKFNSA-N 0 3 344.415 2.446 20 5 EEBDHN Cc1cc(S(=O)(=O)N(C)CCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000350264804 466443067 /nfs/dbraw/zinc/44/30/67/466443067.db2.gz KPXRNMOXPCVYJU-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358150398 466495980 /nfs/dbraw/zinc/49/59/80/466495980.db2.gz MZYWVOXEIJOWDJ-RYUDHWBXSA-N 0 3 336.392 2.451 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332336415 466514173 /nfs/dbraw/zinc/51/41/73/466514173.db2.gz MEQGTUUUIVHLBS-QWRGUYRKSA-N 0 3 344.371 2.061 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411722795 466886225 /nfs/dbraw/zinc/88/62/25/466886225.db2.gz RPCVKBTUYOUJQQ-OKILXGFUSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417715305 466916222 /nfs/dbraw/zinc/91/62/22/466916222.db2.gz JSSUMTNMRKSWKN-KGLIPLIRSA-N 0 3 334.420 2.309 20 5 EEBDHN CC(C)(O)CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413108205 467170974 /nfs/dbraw/zinc/17/09/74/467170974.db2.gz DLNWIHZTQMIAFM-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493025823 467822531 /nfs/dbraw/zinc/82/25/31/467822531.db2.gz PCVJZUGIJNIASX-XQRVVYSFSA-N 0 3 347.350 2.144 20 5 EEBDHN Cc1nc(NC[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450485954 467857326 /nfs/dbraw/zinc/85/73/26/467857326.db2.gz AOBBXVWOKTXFTG-HNNXBMFYSA-N 0 3 327.388 2.627 20 5 EEBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283036 468042217 /nfs/dbraw/zinc/04/22/17/468042217.db2.gz SEIYFAGHUSSHSO-YMTOWFKASA-N 0 3 327.768 2.344 20 5 EEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517080163 468070436 /nfs/dbraw/zinc/07/04/36/468070436.db2.gz LONPAKVMLGQDQQ-LBPRGKRZSA-N 0 3 331.376 2.027 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N(CCN1CCCCCC1)C1CCC1 ZINC000488884760 468109937 /nfs/dbraw/zinc/10/99/37/468109937.db2.gz UKQQOQJWRBVQJH-UHFFFAOYSA-N 0 3 335.408 2.189 20 5 EEBDHN COc1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594195743 468508930 /nfs/dbraw/zinc/50/89/30/468508930.db2.gz IOVRLAUNMJFFON-KBPBESRZSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Cl)c2Cl)c1 ZINC000570081520 468587755 /nfs/dbraw/zinc/58/77/55/468587755.db2.gz CKZHJNAGYZYAQX-LLVKDONJSA-N 0 3 345.186 2.249 20 5 EEBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000582831780 468601551 /nfs/dbraw/zinc/60/15/51/468601551.db2.gz GSEJFRNJCIUCQV-YESZJQIVSA-N 0 3 329.400 2.395 20 5 EEBDHN Cc1nn(-c2ccc(C)cc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594498991 468608864 /nfs/dbraw/zinc/60/88/64/468608864.db2.gz XPLGSYQFKPNGCH-UHFFFAOYSA-N 0 3 340.387 2.384 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113505 468746043 /nfs/dbraw/zinc/74/60/43/468746043.db2.gz HKFXVKFAAOZCQQ-ROUUACIJSA-N 0 3 342.399 2.178 20 5 EEBDHN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000595450514 468857433 /nfs/dbraw/zinc/85/74/33/468857433.db2.gz OCKAPSOPLBSICR-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000595454246 468859515 /nfs/dbraw/zinc/85/95/15/468859515.db2.gz FSZKXCCETJGIKX-JKSUJKDBSA-N 0 3 337.395 2.467 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000562529117 468979277 /nfs/dbraw/zinc/97/92/77/468979277.db2.gz PNDCJQRTRFQBON-ZDUSSCGKSA-N 0 3 333.388 2.016 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000593656736 469081753 /nfs/dbraw/zinc/08/17/53/469081753.db2.gz PAVMYFCDQNZPFK-OAHLLOKOSA-N 0 3 335.379 2.410 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000602797655 469082576 /nfs/dbraw/zinc/08/25/76/469082576.db2.gz NPEUSLGDMKTSKT-GOEBONIOSA-N 0 3 333.436 2.048 20 5 EEBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](CN)C(F)(F)F ZINC000596000707 469111604 /nfs/dbraw/zinc/11/16/04/469111604.db2.gz NQTVNCHRIRMUAJ-SECBINFHSA-N 0 3 325.674 2.210 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603243310 469321389 /nfs/dbraw/zinc/32/13/89/469321389.db2.gz KCDITGGFSQYTON-UHFFFAOYSA-N 0 3 345.403 2.272 20 5 EEBDHN Cc1ccc(N[C@H]2CCCN(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000603423288 469390428 /nfs/dbraw/zinc/39/04/28/469390428.db2.gz NUZFJJUYPQGMCL-INIZCTEOSA-N 0 3 348.447 2.112 20 5 EEBDHN CC(C)(C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064478 469977176 /nfs/dbraw/zinc/97/71/76/469977176.db2.gz UBLGSBGWMQVROC-HNNXBMFYSA-N 0 3 331.416 2.473 20 5 EEBDHN O=C1CCCN1C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595830632 485610735 /nfs/dbraw/zinc/61/07/35/485610735.db2.gz GKOGOQMYLSOJEB-OAHLLOKOSA-N 0 3 347.415 2.308 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424075 528607386 /nfs/dbraw/zinc/60/73/86/528607386.db2.gz MTOFKXCGFRGSSO-LRDDRELGSA-N 0 3 326.393 2.432 20 5 EEBDHN CCN(CC(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726585639 576277736 /nfs/dbraw/zinc/27/77/36/576277736.db2.gz HQGUFSRKHCNZQZ-UHFFFAOYSA-N 0 3 334.376 2.299 20 5 EEBDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939859 577587493 /nfs/dbraw/zinc/58/74/93/577587493.db2.gz AYWUSOIEBINAAH-RDJZCZTQSA-N 0 3 344.415 2.316 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000741723720 578123034 /nfs/dbraw/zinc/12/30/34/578123034.db2.gz ZAMIVCCFCIPNAM-KGLIPLIRSA-N 0 3 346.431 2.408 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000736568404 578212114 /nfs/dbraw/zinc/21/21/14/578212114.db2.gz BJUASWCYINPYKE-VXGBXAGGSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000736568404 578212115 /nfs/dbraw/zinc/21/21/15/578212115.db2.gz BJUASWCYINPYKE-VXGBXAGGSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000736568404 578212116 /nfs/dbraw/zinc/21/21/16/578212116.db2.gz BJUASWCYINPYKE-VXGBXAGGSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000736568404 578212117 /nfs/dbraw/zinc/21/21/17/578212117.db2.gz BJUASWCYINPYKE-VXGBXAGGSA-N 0 3 345.407 2.084 20 5 EEBDHN COc1cc(Cc2noc(C3(CN(C)C)CC3)n2)ccc1[N+](=O)[O-] ZINC000923950131 694013040 /nfs/dbraw/zinc/01/30/40/694013040.db2.gz OWFNRYRKVPADHP-UHFFFAOYSA-N 0 3 332.360 2.170 20 5 EEBDHN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000898798761 693460830 /nfs/dbraw/zinc/46/08/30/693460830.db2.gz MMDFLTMABHMYMA-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN CN(CC1CCOCC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124683689 1198719080 /nfs/dbraw/zinc/71/90/80/1198719080.db2.gz RWMTTZHREIOKTM-UHFFFAOYSA-N 0 3 331.376 2.169 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000876784890 1199773129 /nfs/dbraw/zinc/77/31/29/1199773129.db2.gz NGIMOSZQOLOIRJ-MRXNPFEDSA-N 0 3 333.432 2.366 20 5 EEBDHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1C ZINC000866211932 1201467101 /nfs/dbraw/zinc/46/71/01/1201467101.db2.gz BFVAHKUULQKOJR-UHFFFAOYSA-N 0 3 348.447 2.128 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212841185 1204423725 /nfs/dbraw/zinc/42/37/25/1204423725.db2.gz DPQAOGAOJZPJER-UHFFFAOYSA-N 0 3 338.327 2.056 20 5 EEBDHN CCN(CC)CC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096110668 1234978295 /nfs/dbraw/zinc/97/82/95/1234978295.db2.gz KPYIAMOOIGMTMJ-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN C/C=C(/C)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048753399 1238525871 /nfs/dbraw/zinc/52/58/71/1238525871.db2.gz JJZIWCWIJLWWGU-BWEGZWNPSA-N 0 3 329.400 2.451 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000827495946 1248226110 /nfs/dbraw/zinc/22/61/10/1248226110.db2.gz ATLMGARCBPZIBC-LSDHHAIUSA-N 0 3 328.372 2.418 20 5 EEBDHN COC(=O)c1cc(O[C@H]2CCN(C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226439980 1301413578 /nfs/dbraw/zinc/41/35/78/1301413578.db2.gz RLHYRVXJARXQKH-NSHDSACASA-N 0 3 338.360 2.252 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001229679254 1302914224 /nfs/dbraw/zinc/91/42/24/1302914224.db2.gz VIEZPMKAOURAPN-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN CC1(C)CN(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783623722 1304312810 /nfs/dbraw/zinc/31/28/10/1304312810.db2.gz VINNZZFGUTYQPM-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN CCOCCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234318340 1304866766 /nfs/dbraw/zinc/86/67/66/1304866766.db2.gz FWNVACDYACTRID-UHFFFAOYSA-N 0 3 337.420 2.350 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(-c3noc([C@@]45CN[C@@H](CO4)C5)n3)nc12 ZINC001247945869 1310791701 /nfs/dbraw/zinc/79/17/01/1310791701.db2.gz JJCUFUXKFZFPCJ-BFUOFWGJSA-N 0 3 345.362 2.420 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103885 1315476400 /nfs/dbraw/zinc/47/64/00/1315476400.db2.gz RUNIYILDEGOWHX-KWQFWETISA-N 0 3 342.783 2.483 20 5 EEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155824429 1317749918 /nfs/dbraw/zinc/74/99/18/1317749918.db2.gz PAPXPIJQLSDNSF-IINYFYTJSA-N 0 3 341.799 2.060 20 5 EEBDHN COC(=O)C[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577554 1318128058 /nfs/dbraw/zinc/12/80/58/1318128058.db2.gz FMQMVSSVSUGYHW-RDJZCZTQSA-N 0 3 341.367 2.351 20 5 EEBDHN CC(C)Oc1cc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254587647 1318134150 /nfs/dbraw/zinc/13/41/50/1318134150.db2.gz RYEPJPXAIOWGMB-AWEZNQCLSA-N 0 3 328.372 2.429 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001254610291 1318144685 /nfs/dbraw/zinc/14/46/85/1318144685.db2.gz JHYMWHSBDNGTFE-HOTGVXAUSA-N 0 3 344.346 2.144 20 5 EEBDHN COc1cc(N2CCC(n3nc(CN)cc3C)CC2)ccc1[N+](=O)[O-] ZINC001256085907 1318642464 /nfs/dbraw/zinc/64/24/64/1318642464.db2.gz SPDSPBLSPGYFJM-UHFFFAOYSA-N 0 3 345.403 2.409 20 5 EEBDHN Cc1cnccc1CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001158111154 1319020701 /nfs/dbraw/zinc/02/07/01/1319020701.db2.gz DGNYVDOMTJRSAK-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C1CCCC1)C1CCN(C)CC1 ZINC001158487461 1319265710 /nfs/dbraw/zinc/26/57/10/1319265710.db2.gz BNHUYEXTNXFDRA-UHFFFAOYSA-N 0 3 334.420 2.380 20 5 EEBDHN NCc1ccc2c(n1)N(c1cnc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001158649592 1319354607 /nfs/dbraw/zinc/35/46/07/1319354607.db2.gz OGRBUOIBSXHBPO-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1nnn2c1CNCCC2 ZINC001162972503 1321000565 /nfs/dbraw/zinc/00/05/65/1321000565.db2.gz VXOIOIXNLFKZDE-UHFFFAOYSA-N 0 3 330.392 2.217 20 5 EEBDHN O=[N+]([O-])c1cc(CO)c(N2CCN[C@@H](c3ccccc3)C2)cc1F ZINC001307214721 1331517522 /nfs/dbraw/zinc/51/75/22/1331517522.db2.gz QOVAUQIPMBTWMU-OAHLLOKOSA-N 0 3 331.347 2.377 20 5 EEBDHN CC(C)(C)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC001317929651 1332444744 /nfs/dbraw/zinc/44/47/44/1332444744.db2.gz PNJGZPMCXQYBHG-UHFFFAOYSA-N 0 3 335.404 2.377 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H](N3CC=CC3)C2)c1 ZINC000848479558 1338705663 /nfs/dbraw/zinc/70/56/63/1338705663.db2.gz FHPXUZRAQQBBGF-INIZCTEOSA-N 0 3 339.399 2.362 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258865 1349233463 /nfs/dbraw/zinc/23/34/63/1349233463.db2.gz DBAJFDMOISFYQF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258865 1349233467 /nfs/dbraw/zinc/23/34/67/1349233467.db2.gz DBAJFDMOISFYQF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258865 1349233471 /nfs/dbraw/zinc/23/34/71/1349233471.db2.gz DBAJFDMOISFYQF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258865 1349233476 /nfs/dbraw/zinc/23/34/76/1349233476.db2.gz DBAJFDMOISFYQF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN CCCN(CC[NH+](CC)CC)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590625403 1349378949 /nfs/dbraw/zinc/37/89/49/1349378949.db2.gz XWEKSIXUTXVONM-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603518828 1350715620 /nfs/dbraw/zinc/71/56/20/1350715620.db2.gz WPQICTZSBKXWDH-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603518828 1350715623 /nfs/dbraw/zinc/71/56/23/1350715623.db2.gz WPQICTZSBKXWDH-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)CN1CCO[C@@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553448 1368033721 /nfs/dbraw/zinc/03/37/21/1368033721.db2.gz ANMOQTWQGVMGNK-HIFRSBDPSA-N 0 3 336.436 2.184 20 5 EEBDHN CCn1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001167435835 759378813 /nfs/dbraw/zinc/37/88/13/759378813.db2.gz QOMADJCTEZXOCV-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001105408746 782908765 /nfs/dbraw/zinc/90/87/65/782908765.db2.gz CMHYNQQZJGCBRS-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC000893942218 780323876 /nfs/dbraw/zinc/32/38/76/780323876.db2.gz ZVSBRZTXKHJEHQ-JTQLQIEISA-N 0 3 338.282 2.366 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC001109547569 805649454 /nfs/dbraw/zinc/64/94/54/805649454.db2.gz GIVCWNIDMWVJBC-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CCN1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910270446 786597550 /nfs/dbraw/zinc/59/75/50/786597550.db2.gz MTTHNMPEYKNVCH-LLVKDONJSA-N 0 3 339.367 2.299 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000823132520 787580880 /nfs/dbraw/zinc/58/08/80/787580880.db2.gz GAOOEIOFENZQRQ-MRVPVSSYSA-N 0 3 344.774 2.136 20 5 EEBDHN Cc1nn(C)cc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878642 789972485 /nfs/dbraw/zinc/97/24/85/789972485.db2.gz HXLXXMXBZHHJKN-MEDUHNTESA-N 0 3 335.335 2.360 20 5 EEBDHN CC([C@H](OC(=O)CCN1CCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845880172 789973296 /nfs/dbraw/zinc/97/32/96/789973296.db2.gz ZAAUEZCVLIDZSR-BZNIZROVSA-N 0 3 338.335 2.088 20 5 EEBDHN CCNC(=O)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881439 789973901 /nfs/dbraw/zinc/97/39/01/789973901.db2.gz ZRDKUEWUFCUXTA-BZNIZROVSA-N 0 3 340.351 2.382 20 5 EEBDHN CCCc1nc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001147940545 792047262 /nfs/dbraw/zinc/04/72/62/792047262.db2.gz WWLBKPWZLLKRBK-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN CC(C)(C(=O)NCCCNc1ncccc1[N+](=O)[O-])N1CCCCC1 ZINC001094595599 796460853 /nfs/dbraw/zinc/46/08/53/796460853.db2.gz JREYVHFFDFOMIO-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001086117721 802212060 /nfs/dbraw/zinc/21/20/60/802212060.db2.gz YXHORAPTKFDRDU-BJHJDKERSA-N 0 3 346.412 2.350 20 5 EEBDHN CC(C)(C)OC(=O)N[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037539 803581345 /nfs/dbraw/zinc/58/13/45/803581345.db2.gz SBUBPQQEXPUUDO-XJFOESAGSA-N 0 3 345.415 2.369 20 5 EEBDHN COC[C@]1(C)CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451203868 243030642 /nfs/dbraw/zinc/03/06/42/243030642.db2.gz RNSKHIUKXRPQJH-QGZVFWFLSA-N 0 3 349.387 2.251 20 5 EEBDHN CCOC(=O)[C@@](C)(O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543145 243151505 /nfs/dbraw/zinc/15/15/05/243151505.db2.gz AZOYLCBASFWIJC-YOEHRIQHSA-N 0 3 336.388 2.088 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479573 243128948 /nfs/dbraw/zinc/12/89/48/243128948.db2.gz NMTIGFZAQSWSOW-UAGQMJEPSA-N 0 3 347.415 2.351 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]2C[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459789615 245248472 /nfs/dbraw/zinc/24/84/72/245248472.db2.gz RPQQHIRDHFHBRD-VWYCJHECSA-N 0 3 333.344 2.040 20 5 EEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCN1C ZINC000491986779 246245784 /nfs/dbraw/zinc/24/57/84/246245784.db2.gz NGUWITJSPGOWBD-NWDGAFQWSA-N 0 3 334.376 2.446 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265211075 247301871 /nfs/dbraw/zinc/30/18/71/247301871.db2.gz AZXLTRXAFGFVEZ-GFCCVEGCSA-N 0 3 330.388 2.490 20 5 EEBDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266588197 248373129 /nfs/dbraw/zinc/37/31/29/248373129.db2.gz KWXIJOVVCKPDSZ-JLZZUVOBSA-N 0 3 348.378 2.374 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268534056 252001214 /nfs/dbraw/zinc/00/12/14/252001214.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268534056 252001215 /nfs/dbraw/zinc/00/12/15/252001215.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268534056 252001217 /nfs/dbraw/zinc/00/12/17/252001217.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(C2CCOCC2)CC1 ZINC000176742190 285079732 /nfs/dbraw/zinc/07/97/32/285079732.db2.gz QPQJMGUALZSYNQ-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000273258859 256281817 /nfs/dbraw/zinc/28/18/17/256281817.db2.gz DFMYPPQZNSVBNZ-LLVKDONJSA-N 0 3 347.375 2.016 20 5 EEBDHN COCCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000358224908 292328050 /nfs/dbraw/zinc/32/80/50/292328050.db2.gz NBJAUEXEXJLERL-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127792395 292330604 /nfs/dbraw/zinc/33/06/04/292330604.db2.gz QXGYVFWFOKCIJX-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000120095892 159386796 /nfs/dbraw/zinc/38/67/96/159386796.db2.gz QTLPULRBUZRPDT-HIFRSBDPSA-N 0 3 335.379 2.362 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1Cc1ccccc1 ZINC000342380751 161060926 /nfs/dbraw/zinc/06/09/26/161060926.db2.gz KCMNZKRZMZXMQP-GXTWGEPZSA-N 0 3 328.372 2.316 20 5 EEBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000344120498 161200104 /nfs/dbraw/zinc/20/01/04/161200104.db2.gz ZVBMAORTWBLIKR-IUIKQTSFSA-N 0 3 333.388 2.327 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353028607 162402809 /nfs/dbraw/zinc/40/28/09/162402809.db2.gz BTUVMJPIONAGJV-JTQLQIEISA-N 0 3 334.825 2.204 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000355345105 163154651 /nfs/dbraw/zinc/15/46/51/163154651.db2.gz RZGIRTCDKSEABT-OAHLLOKOSA-N 0 3 341.367 2.414 20 5 EEBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000359656554 164146047 /nfs/dbraw/zinc/14/60/47/164146047.db2.gz HLQMURAVPDPTHS-HNNXBMFYSA-N 0 3 343.449 2.240 20 5 EEBDHN COc1cc(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000269642606 268713892 /nfs/dbraw/zinc/71/38/92/268713892.db2.gz XCXVJDGFHIABIJ-UHFFFAOYSA-N 0 3 339.392 2.024 20 5 EEBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000277912489 269197406 /nfs/dbraw/zinc/19/74/06/269197406.db2.gz GNJUEGTYFNHYTP-GFCCVEGCSA-N 0 3 338.364 2.416 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(c2ccnn2C)C1 ZINC000278502982 269234606 /nfs/dbraw/zinc/23/46/06/269234606.db2.gz OHAUWJSRZDTDGW-OAHLLOKOSA-N 0 3 329.404 2.395 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1N(C)C ZINC000271387631 274128040 /nfs/dbraw/zinc/12/80/40/274128040.db2.gz BXBYATHBJBSWGS-HUUCEWRRSA-N 0 3 348.428 2.194 20 5 EEBDHN NC(=O)c1cc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343496 274190102 /nfs/dbraw/zinc/19/01/02/274190102.db2.gz IWJIBZOHDSUMTN-RISCZKNCSA-N 0 3 344.371 2.183 20 5 EEBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555395 274371975 /nfs/dbraw/zinc/37/19/75/274371975.db2.gz BXGXVPZFMVXZMJ-SJCJKPOMSA-N 0 3 332.356 2.484 20 5 EEBDHN Cn1cc(CNCC2=CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288352248 275049688 /nfs/dbraw/zinc/04/96/88/275049688.db2.gz CCTLDXFBUQYVDM-UHFFFAOYSA-N 0 3 328.372 2.432 20 5 EEBDHN CC(C)(CO)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000291023049 275261963 /nfs/dbraw/zinc/26/19/63/275261963.db2.gz XWPINFIKMXNJJL-INIZCTEOSA-N 0 3 336.388 2.348 20 5 EEBDHN CC(=O)Nc1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000182526261 278209546 /nfs/dbraw/zinc/20/95/46/278209546.db2.gz UJUQABVOYJUPOG-GFCCVEGCSA-N 0 3 344.371 2.066 20 5 EEBDHN CC(C)N(C)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320047392 279372941 /nfs/dbraw/zinc/37/29/41/279372941.db2.gz YOEMSMHEYFULOC-LLVKDONJSA-N 0 3 329.422 2.139 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000357861592 292688425 /nfs/dbraw/zinc/68/84/25/292688425.db2.gz IQCHKWKBDRSLBD-WFASDCNBSA-N 0 3 345.403 2.058 20 5 EEBDHN CC[C@@H](NCC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282828774 292866038 /nfs/dbraw/zinc/86/60/38/292866038.db2.gz SDUDRGBHPJZLSZ-MRXNPFEDSA-N 0 3 338.404 2.194 20 5 EEBDHN C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293663157 293264059 /nfs/dbraw/zinc/26/40/59/293264059.db2.gz JMWSHFFGQXUPNL-CQSZACIVSA-N 0 3 347.415 2.306 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000294133519 293378649 /nfs/dbraw/zinc/37/86/49/293378649.db2.gz MNDLWZVSGMDUAS-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1cccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)N(C)C)c1 ZINC000298736033 294573554 /nfs/dbraw/zinc/57/35/54/294573554.db2.gz PWQLLIHATSWRHQ-AWEZNQCLSA-N 0 3 333.392 2.360 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000299445767 294744815 /nfs/dbraw/zinc/74/48/15/294744815.db2.gz NOOHERXQWZUPPU-AWEZNQCLSA-N 0 3 345.403 2.439 20 5 EEBDHN CS(=O)(=O)CC1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414553167 313040292 /nfs/dbraw/zinc/04/02/92/313040292.db2.gz ICRSAZJVODSWIB-QPJJXVBHSA-N 0 3 338.429 2.413 20 5 EEBDHN CCCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000515347740 316482638 /nfs/dbraw/zinc/48/26/38/316482638.db2.gz MPOILCGBAHNFQP-MRXNPFEDSA-N 0 3 348.403 2.039 20 5 EEBDHN Cc1cc(OCC(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000521959908 316940504 /nfs/dbraw/zinc/94/05/04/316940504.db2.gz BJBDSBCIMFNQRC-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN CC(C)OC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542278841 318125577 /nfs/dbraw/zinc/12/55/77/318125577.db2.gz RXBKUYISDDCMRM-CQSZACIVSA-N 0 3 338.404 2.224 20 5 EEBDHN O=C(CN[C@@H](CO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542912327 318147362 /nfs/dbraw/zinc/14/73/62/318147362.db2.gz WNWGLKDYRSPION-INIZCTEOSA-N 0 3 347.415 2.015 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907179 318817455 /nfs/dbraw/zinc/81/74/55/318817455.db2.gz DOPNXJDMUINTDW-QWHCGFSZSA-N 0 3 345.403 2.307 20 5 EEBDHN CC(C)C[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573914125 319977834 /nfs/dbraw/zinc/97/78/34/319977834.db2.gz RXVAJSLTTUBPKS-IUODEOHRSA-N 0 3 326.418 2.393 20 5 EEBDHN Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000574292650 320013508 /nfs/dbraw/zinc/01/35/08/320013508.db2.gz PXZMKYXGLVIGEU-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(-c3ccccc3)o2)c1 ZINC000578830661 323713349 /nfs/dbraw/zinc/71/33/49/323713349.db2.gz WSJJORNYNNPUCI-HNNXBMFYSA-N 0 3 342.355 2.202 20 5 EEBDHN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000584111143 324799587 /nfs/dbraw/zinc/79/95/87/324799587.db2.gz NUFKHOJBOBYTKS-DYVFJYSZSA-N 0 3 343.383 2.426 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247642 465128332 /nfs/dbraw/zinc/12/83/32/465128332.db2.gz NRQHPHCRBNPLAP-HUUCEWRRSA-N 0 3 333.388 2.131 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339619833 465393050 /nfs/dbraw/zinc/39/30/50/465393050.db2.gz YESUIMPSISGKJW-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763825 462632272 /nfs/dbraw/zinc/63/22/72/462632272.db2.gz ZOWFPOFVBOEQGF-UHFFFAOYSA-N 0 3 336.436 2.367 20 5 EEBDHN COc1ccc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000090523085 462796217 /nfs/dbraw/zinc/79/62/17/462796217.db2.gz GSHQUQIUJFHZPQ-HNNXBMFYSA-N 0 3 343.383 2.255 20 5 EEBDHN CC1(C)C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)O1 ZINC000119815386 462930855 /nfs/dbraw/zinc/93/08/55/462930855.db2.gz JDFGCMFVLCGLLL-OAHLLOKOSA-N 0 3 347.415 2.420 20 5 EEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000048717453 462934110 /nfs/dbraw/zinc/93/41/10/462934110.db2.gz QSPLVYVDCMQIEW-NSHDSACASA-N 0 3 342.417 2.121 20 5 EEBDHN CCOC(=O)c1ccnc(N(C)C2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000077910311 463069880 /nfs/dbraw/zinc/06/98/80/463069880.db2.gz XHNCBSFFSGSUEQ-UHFFFAOYSA-N 0 3 336.392 2.087 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000157533979 463140773 /nfs/dbraw/zinc/14/07/73/463140773.db2.gz KEBGKGDPBCCLRB-UHFFFAOYSA-N 0 3 347.394 2.138 20 5 EEBDHN CN(CCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000053349272 463152444 /nfs/dbraw/zinc/15/24/44/463152444.db2.gz RBUZQAFXVLJWGC-UHFFFAOYSA-N 0 3 343.383 2.222 20 5 EEBDHN COc1ccc(CC(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068775996 463173679 /nfs/dbraw/zinc/17/36/79/463173679.db2.gz SRRZNUQMUKKXFJ-UHFFFAOYSA-N 0 3 335.404 2.089 20 5 EEBDHN CN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027583242 463196221 /nfs/dbraw/zinc/19/62/21/463196221.db2.gz AVGGEQKYUUGTFA-QGZVFWFLSA-N 0 3 341.411 2.426 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083025956 463529693 /nfs/dbraw/zinc/52/96/93/463529693.db2.gz AEEVJONSEAQYKN-GJZGRUSLSA-N 0 3 349.431 2.143 20 5 EEBDHN COc1ccc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000268513189 463775034 /nfs/dbraw/zinc/77/50/34/463775034.db2.gz VCLWCMIOIRSEMQ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000268513189 463775038 /nfs/dbraw/zinc/77/50/38/463775038.db2.gz VCLWCMIOIRSEMQ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000268513189 463775043 /nfs/dbraw/zinc/77/50/43/463775043.db2.gz VCLWCMIOIRSEMQ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000276836572 463775436 /nfs/dbraw/zinc/77/54/36/463775436.db2.gz PFOMPNOBENOCMK-IUODEOHRSA-N 0 3 333.388 2.078 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000283299900 463837546 /nfs/dbraw/zinc/83/75/46/463837546.db2.gz XIHNIVVWWYLDRT-LBPRGKRZSA-N 0 3 333.388 2.374 20 5 EEBDHN Cc1nccn1CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000269138779 463888060 /nfs/dbraw/zinc/88/80/60/463888060.db2.gz YWGFHIKDLBJQDZ-UHFFFAOYSA-N 0 3 329.404 2.312 20 5 EEBDHN Cn1ccnc1[C@@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269725249 464071903 /nfs/dbraw/zinc/07/19/03/464071903.db2.gz VQSKIGSMSBJFHL-KRWDZBQOSA-N 0 3 344.415 2.316 20 5 EEBDHN C[C@H]1CCSCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347150 464090944 /nfs/dbraw/zinc/09/09/44/464090944.db2.gz VFRRTVCWBHNIFE-QWHCGFSZSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@](CO)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591014036 468393136 /nfs/dbraw/zinc/39/31/36/468393136.db2.gz VMBWIIODGXYPEC-GOSISDBHSA-N 0 3 343.383 2.421 20 5 EEBDHN Cc1c(Br)cc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000269940654 464134084 /nfs/dbraw/zinc/13/40/84/464134084.db2.gz KOJIFFMTSZVMDC-UHFFFAOYSA-N 0 3 344.209 2.299 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291992258 464164994 /nfs/dbraw/zinc/16/49/94/464164994.db2.gz WXRMRMDHZYWSEP-GFCCVEGCSA-N 0 3 330.331 2.313 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1C ZINC000292267554 464179473 /nfs/dbraw/zinc/17/94/73/464179473.db2.gz PXIXUHAWKWLCOB-QGZVFWFLSA-N 0 3 333.388 2.080 20 5 EEBDHN CC(C)[N@H+](CCCOC(=O)N=C(N)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000271447868 464314114 /nfs/dbraw/zinc/31/41/14/464314114.db2.gz DICAGOBHRSFMKO-UHFFFAOYSA-N 0 3 338.364 2.000 20 5 EEBDHN CC(C)[N@@H+](CCCOC(=O)N=C(N)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000271447868 464314120 /nfs/dbraw/zinc/31/41/20/464314120.db2.gz DICAGOBHRSFMKO-UHFFFAOYSA-N 0 3 338.364 2.000 20 5 EEBDHN CC(C)[N@H+](CCCOC([O-])=NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000271447868 464314124 /nfs/dbraw/zinc/31/41/24/464314124.db2.gz DICAGOBHRSFMKO-UHFFFAOYSA-N 0 3 338.364 2.000 20 5 EEBDHN CC(C)[N@@H+](CCCOC([O-])=NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000271447868 464314130 /nfs/dbraw/zinc/31/41/30/464314130.db2.gz DICAGOBHRSFMKO-UHFFFAOYSA-N 0 3 338.364 2.000 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180591926 464343666 /nfs/dbraw/zinc/34/36/66/464343666.db2.gz ICLRQFBMNBSRIX-OAHLLOKOSA-N 0 3 328.372 2.210 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264606328 464391532 /nfs/dbraw/zinc/39/15/32/464391532.db2.gz YPFXLKBXKZLVDW-AWEZNQCLSA-N 0 3 333.388 2.060 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284993188 464418642 /nfs/dbraw/zinc/41/86/42/464418642.db2.gz APFVQSKCGBEIQI-AWEZNQCLSA-N 0 3 331.376 2.131 20 5 EEBDHN Cc1cc(OCC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281557426 464502571 /nfs/dbraw/zinc/50/25/71/464502571.db2.gz YCHUMOFUXIVWAJ-HNNXBMFYSA-N 0 3 347.415 2.369 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272188436 464511980 /nfs/dbraw/zinc/51/19/80/464511980.db2.gz MXDJFSHPLHMKSV-ZDUSSCGKSA-N 0 3 334.420 2.195 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175553745 464573368 /nfs/dbraw/zinc/57/33/68/464573368.db2.gz OVYBCFLFPLVTBY-TZMCWYRMSA-N 0 3 332.404 2.361 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000190208560 464607864 /nfs/dbraw/zinc/60/78/64/464607864.db2.gz QJVYWXCSDXDOIY-OAHLLOKOSA-N 0 3 349.431 2.295 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294806214 464610396 /nfs/dbraw/zinc/61/03/96/464610396.db2.gz FLVYEBZNWVITOG-CQSZACIVSA-N 0 3 347.415 2.358 20 5 EEBDHN CC(C)N1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272472635 464623809 /nfs/dbraw/zinc/62/38/09/464623809.db2.gz FUCKIZHCVCCLGJ-UHFFFAOYSA-N 0 3 349.416 2.156 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281983423 464658421 /nfs/dbraw/zinc/65/84/21/464658421.db2.gz WJDKOVRXFDMFCU-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN COC[C@@]1(C(=O)OC)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295142943 464721426 /nfs/dbraw/zinc/72/14/26/464721426.db2.gz ZWEKZXMIWDTQKT-QQOXCAACSA-N 0 3 334.372 2.120 20 5 EEBDHN C[NH+](C)C1(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276109465 464811620 /nfs/dbraw/zinc/81/16/20/464811620.db2.gz ZXKJMZYZXQITKO-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176695384 464828376 /nfs/dbraw/zinc/82/83/76/464828376.db2.gz XHTDQCPZSDUCOB-GJZGRUSLSA-N 0 3 349.431 2.143 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282618353 464886816 /nfs/dbraw/zinc/88/68/16/464886816.db2.gz ZPDORDUXIWUMMV-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249743515 464911156 /nfs/dbraw/zinc/91/11/56/464911156.db2.gz LCOUMBLYSXFQRQ-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C)Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192671820 464974782 /nfs/dbraw/zinc/97/47/82/464974782.db2.gz IISDSSYZXOCGKS-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261468 464996034 /nfs/dbraw/zinc/99/60/34/464996034.db2.gz ZIGPOUILBKPTBQ-BZNIZROVSA-N 0 3 344.415 2.382 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000356750506 465518923 /nfs/dbraw/zinc/51/89/23/465518923.db2.gz ZMYHSOVKCIQQIN-GOSISDBHSA-N 0 3 342.399 2.347 20 5 EEBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000298947391 465548093 /nfs/dbraw/zinc/54/80/93/465548093.db2.gz FACFYOLSXANICJ-UONOGXRCSA-N 0 3 335.404 2.210 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000299253623 465666547 /nfs/dbraw/zinc/66/65/47/465666547.db2.gz PZRABIXBERAIIF-QWRGUYRKSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000330919148 465860533 /nfs/dbraw/zinc/86/05/33/465860533.db2.gz YCRXKKKRJIVVQG-JQWIXIFHSA-N 0 3 325.796 2.390 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000302038799 466084037 /nfs/dbraw/zinc/08/40/37/466084037.db2.gz GWTCMPLQNZQGOD-QGZVFWFLSA-N 0 3 342.399 2.477 20 5 EEBDHN Cc1cc(N2CCN(CC(C)(C)O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302172063 466110207 /nfs/dbraw/zinc/11/02/07/466110207.db2.gz MHBXPCMEGBMPNW-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN COCCN1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854820 466352429 /nfs/dbraw/zinc/35/24/29/466352429.db2.gz BPGDMMJPZXLUSZ-ZDUSSCGKSA-N 0 3 336.392 2.054 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000305743579 466445928 /nfs/dbraw/zinc/44/59/28/466445928.db2.gz UBYNXHAQDGIZGO-ROUUACIJSA-N 0 3 328.368 2.052 20 5 EEBDHN Cc1c(CNC(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000358232182 466560235 /nfs/dbraw/zinc/56/02/35/466560235.db2.gz ZENSUILMVDPCBK-UHFFFAOYSA-N 0 3 332.404 2.329 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347327983 466569816 /nfs/dbraw/zinc/56/98/16/466569816.db2.gz YMFFIINLRANZSS-AWEZNQCLSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000368531934 466661689 /nfs/dbraw/zinc/66/16/89/466661689.db2.gz ANGNBERZNRYXRH-WBVHZDCISA-N 0 3 342.399 2.178 20 5 EEBDHN CN1CCNC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531257 466768563 /nfs/dbraw/zinc/76/85/63/466768563.db2.gz ZSKSFJFXGYBZIW-RBUKOAKNSA-N 0 3 340.427 2.177 20 5 EEBDHN C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000412380118 467077446 /nfs/dbraw/zinc/07/74/46/467077446.db2.gz QGAVCTDRZPMCKW-OAHLLOKOSA-N 0 3 342.355 2.497 20 5 EEBDHN Cc1sc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000429026893 467292678 /nfs/dbraw/zinc/29/26/78/467292678.db2.gz AIRRHXBQZHIRON-UHFFFAOYSA-N 0 3 347.400 2.022 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434704759 467422345 /nfs/dbraw/zinc/42/23/45/467422345.db2.gz ZHDIUWMSSOSAPS-DCAQKATOSA-N 0 3 341.795 2.224 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000457957051 467739871 /nfs/dbraw/zinc/73/98/71/467739871.db2.gz PIZPIVLEPIHABS-SFHVURJKSA-N 0 3 346.431 2.265 20 5 EEBDHN CCN1CCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220431 467802049 /nfs/dbraw/zinc/80/20/49/467802049.db2.gz ZBJDZBGYTLEADP-INIZCTEOSA-N 0 3 348.447 2.323 20 5 EEBDHN COc1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551806775 468255970 /nfs/dbraw/zinc/25/59/70/468255970.db2.gz SSUVIJNJKDRELG-AWEZNQCLSA-N 0 3 332.356 2.133 20 5 EEBDHN CN(CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594194934 468507745 /nfs/dbraw/zinc/50/77/45/468507745.db2.gz BGCMRASWHURTNS-CABCVRRESA-N 0 3 346.431 2.164 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594215685 468515277 /nfs/dbraw/zinc/51/52/77/468515277.db2.gz STXBCCJLUGEHTL-HOCLYGCPSA-N 0 3 332.404 2.411 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000597717132 468650143 /nfs/dbraw/zinc/65/01/43/468650143.db2.gz ZRHVUZNCHDTPHP-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)c([N+](=O)[O-])c1 ZINC000600786662 468657293 /nfs/dbraw/zinc/65/72/93/468657293.db2.gz QXIFDMKWZXCLSH-UHFFFAOYSA-N 0 3 341.367 2.458 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1Cn1cc(CCN2CCCCC2)nn1 ZINC000600973502 468703069 /nfs/dbraw/zinc/70/30/69/468703069.db2.gz OKWFRKFMLYBBRK-UHFFFAOYSA-N 0 3 345.403 2.272 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)CN1CCOCC1 ZINC000595007745 468742079 /nfs/dbraw/zinc/74/20/79/468742079.db2.gz JNDOURIGYFLRCQ-KGLIPLIRSA-N 0 3 337.420 2.222 20 5 EEBDHN COC(=O)[C@H](C)[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794320 469078788 /nfs/dbraw/zinc/07/87/88/469078788.db2.gz VIQHTVBGUBCCJP-MLGOLLRUSA-N 0 3 346.387 2.240 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CC[C@H](O)C2)c2ccccc2)c1 ZINC000599093387 469117767 /nfs/dbraw/zinc/11/77/67/469117767.db2.gz POYRLVXEZBOXGG-OALUTQOASA-N 0 3 341.411 2.340 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090498 469150714 /nfs/dbraw/zinc/15/07/14/469150714.db2.gz WKXAAOJGINYJMD-GXTWGEPZSA-N 0 3 327.388 2.819 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195907 469188885 /nfs/dbraw/zinc/18/88/85/469188885.db2.gz MIUBXBTYOKGKAB-GFCCVEGCSA-N 0 3 328.372 2.290 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611412246 469244427 /nfs/dbraw/zinc/24/44/27/469244427.db2.gz YXONUXZTUSUWNU-UHFFFAOYSA-N 0 3 326.422 2.011 20 5 EEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(c4ccncc4)CC3)c2c1 ZINC000611700231 469305153 /nfs/dbraw/zinc/30/51/53/469305153.db2.gz NGPDHWLQKLURJR-UHFFFAOYSA-N 0 3 336.355 2.260 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1(N(C)C)CC1 ZINC000419006828 528192895 /nfs/dbraw/zinc/19/28/95/528192895.db2.gz IKQKQKAUPBJEEQ-UHFFFAOYSA-N 0 3 325.340 2.417 20 5 EEBDHN CC[NH+]1CCC(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000821241935 599046019 /nfs/dbraw/zinc/04/60/19/599046019.db2.gz QVQYTFFTAQJRBN-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC[NH+]1CCC(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000821241935 599046022 /nfs/dbraw/zinc/04/60/22/599046022.db2.gz QVQYTFFTAQJRBN-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825860768 607542269 /nfs/dbraw/zinc/54/22/69/607542269.db2.gz WBPUHDDDEWAVAL-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825860768 607542271 /nfs/dbraw/zinc/54/22/71/607542271.db2.gz WBPUHDDDEWAVAL-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(F)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000982978932 681606729 /nfs/dbraw/zinc/60/67/29/681606729.db2.gz DTPIKMBNUCNZGZ-HOMQSWHASA-N 0 3 329.397 2.389 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[N+](=O)[O-] ZINC000813102425 1201097630 /nfs/dbraw/zinc/09/76/30/1201097630.db2.gz RJMOQWDDQRJHCY-CHWSQXEVSA-N 0 3 335.360 2.139 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813110348 1201121654 /nfs/dbraw/zinc/12/16/54/1201121654.db2.gz YHBZLDDGELHMOG-TZMCWYRMSA-N 0 3 342.351 2.401 20 5 EEBDHN COc1cc(CN[C@H](CO)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000883187389 1202028426 /nfs/dbraw/zinc/02/84/26/1202028426.db2.gz MYEAENOQLXHOLA-ZDUSSCGKSA-N 0 3 326.393 2.499 20 5 EEBDHN COc1ccc([C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2)cc1 ZINC000886309125 1202490654 /nfs/dbraw/zinc/49/06/54/1202490654.db2.gz UOLAYHTWTQVABU-INIZCTEOSA-N 0 3 328.372 2.145 20 5 EEBDHN Cc1ccc(N(C)CCCNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001095657810 1205905265 /nfs/dbraw/zinc/90/52/65/1205905265.db2.gz HGGWKLHSWSPVLJ-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000935316174 1208131919 /nfs/dbraw/zinc/13/19/19/1208131919.db2.gz QLWDKLRBPBLNBS-VUCTXSBTSA-N 0 3 329.400 2.465 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778939431 1208410516 /nfs/dbraw/zinc/41/05/16/1208410516.db2.gz MSTAKIKXENUCSN-JTQLQIEISA-N 0 3 343.330 2.410 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097078620 1243674332 /nfs/dbraw/zinc/67/43/32/1243674332.db2.gz UFCCYWOZRPDNOO-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN CCN(CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102196748 1300546014 /nfs/dbraw/zinc/54/60/14/1300546014.db2.gz XPFMJCMTQPVJOZ-CALCHBBNSA-N 0 3 346.431 2.116 20 5 EEBDHN C[C@H]1CCCN1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769022 1303700627 /nfs/dbraw/zinc/70/06/27/1303700627.db2.gz VURLEUZPHJISFV-WMLDXEAASA-N 0 3 343.431 2.492 20 5 EEBDHN COc1ccnc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249341770 1317057622 /nfs/dbraw/zinc/05/76/22/1317057622.db2.gz AAUZHZQVFDSFLI-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H](O)COc1ccccc1)CNC2 ZINC001163813080 1321222982 /nfs/dbraw/zinc/22/29/82/1321222982.db2.gz VKVAGZBFOZMUST-AWEZNQCLSA-N 0 3 329.356 2.050 20 5 EEBDHN COCC1(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001316618725 1325677069 /nfs/dbraw/zinc/67/70/69/1325677069.db2.gz UHSLXARDVYFMRV-OTVXOJSOSA-N 0 3 347.415 2.006 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC001318389278 1332521870 /nfs/dbraw/zinc/52/18/70/1332521870.db2.gz FBHSCBFBBICQMW-QWHCGFSZSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCCC[NH+]1CCCC1 ZINC001609601730 1352031659 /nfs/dbraw/zinc/03/16/59/1352031659.db2.gz XEDYRWYPLINYEJ-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCCC[NH+]1CCCC1 ZINC001609601730 1352031662 /nfs/dbraw/zinc/03/16/62/1352031662.db2.gz XEDYRWYPLINYEJ-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589134567 1348962702 /nfs/dbraw/zinc/96/27/02/1348962702.db2.gz DVGUXQHJBUKFKZ-VIFPVBQESA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589134567 1348962707 /nfs/dbraw/zinc/96/27/07/1348962707.db2.gz DVGUXQHJBUKFKZ-VIFPVBQESA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589134567 1348962710 /nfs/dbraw/zinc/96/27/10/1348962710.db2.gz DVGUXQHJBUKFKZ-VIFPVBQESA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589134567 1348962713 /nfs/dbraw/zinc/96/27/13/1348962713.db2.gz DVGUXQHJBUKFKZ-VIFPVBQESA-N 0 3 349.370 2.199 20 5 EEBDHN CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590731853 1349394039 /nfs/dbraw/zinc/39/40/39/1349394039.db2.gz AAAAMJUTENTADL-GFCCVEGCSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590731853 1349394047 /nfs/dbraw/zinc/39/40/47/1349394047.db2.gz AAAAMJUTENTADL-GFCCVEGCSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590731853 1349394052 /nfs/dbraw/zinc/39/40/52/1349394052.db2.gz AAAAMJUTENTADL-GFCCVEGCSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590731853 1349394059 /nfs/dbraw/zinc/39/40/59/1349394059.db2.gz AAAAMJUTENTADL-GFCCVEGCSA-N 0 3 345.407 2.227 20 5 EEBDHN CC1(C)CC[N@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603778107 1350765620 /nfs/dbraw/zinc/76/56/20/1350765620.db2.gz BKBMACBPOPZOEP-UHFFFAOYSA-N 0 3 349.370 2.058 20 5 EEBDHN CC1(C)CC[N@@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603778107 1350765621 /nfs/dbraw/zinc/76/56/21/1350765621.db2.gz BKBMACBPOPZOEP-UHFFFAOYSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000828833521 1372252876 /nfs/dbraw/zinc/25/28/76/1372252876.db2.gz HFYVDVSSDCSVGY-LLVKDONJSA-N 0 3 338.383 2.014 20 5 EEBDHN CCN(CC)c1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])c(=O)oc2c1 ZINC000835457696 1372626082 /nfs/dbraw/zinc/62/60/82/1372626082.db2.gz ZCLCHZXCLFJXCO-LLVKDONJSA-N 0 3 348.355 2.461 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112093462 769562281 /nfs/dbraw/zinc/56/22/81/769562281.db2.gz WFOZMOVLIOCHCT-UHFFFAOYSA-N 0 3 336.436 2.220 20 5 EEBDHN Cc1ccnc(NCCCN(C)C(=O)CN(C)C2CCC2)c1[N+](=O)[O-] ZINC001109653289 805831627 /nfs/dbraw/zinc/83/16/27/805831627.db2.gz QPBRMLIFFKXBSP-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845668653 789915648 /nfs/dbraw/zinc/91/56/48/789915648.db2.gz XTPTVTZTIWGKCC-ZDUSSCGKSA-N 0 3 344.371 2.422 20 5 EEBDHN Cc1nn(C)cc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878641 789972625 /nfs/dbraw/zinc/97/26/25/789972625.db2.gz HXLXXMXBZHHJKN-BZNIZROVSA-N 0 3 335.335 2.360 20 5 EEBDHN COc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881165 789973939 /nfs/dbraw/zinc/97/39/39/789973939.db2.gz YTNGPQCSKLROCR-NOZJJQNGSA-N 0 3 335.291 2.188 20 5 EEBDHN CC([C@H](OC(=O)CC1OCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884561 789974751 /nfs/dbraw/zinc/97/47/51/789974751.db2.gz ZPGZYEUGMKIYFU-BMIGLBTASA-N 0 3 327.308 2.228 20 5 EEBDHN CC(C)(C)c1ocnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147130430 791685804 /nfs/dbraw/zinc/68/58/04/791685804.db2.gz ATUCLZSBRKNFDB-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN Cc1ccc(NCCNC(=O)CN2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001094140913 795991245 /nfs/dbraw/zinc/99/12/45/795991245.db2.gz ZQAKSEXVRHTUTQ-UHFFFAOYSA-N 0 3 334.420 2.163 20 5 EEBDHN Cc1ccc(NCCNC(=O)CN(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001094141200 795992159 /nfs/dbraw/zinc/99/21/59/795992159.db2.gz KBRUBOIBTCFGJL-UHFFFAOYSA-N 0 3 336.436 2.409 20 5 EEBDHN CN(CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001110357711 802347996 /nfs/dbraw/zinc/34/79/96/802347996.db2.gz GVAVMKZAUUFLRX-UHFFFAOYSA-N 0 3 349.435 2.028 20 5 EEBDHN COc1ccc(C[C@H](C)NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170297701 809870591 /nfs/dbraw/zinc/87/05/91/809870591.db2.gz QTAODWCAJDCLJC-ZDUSSCGKSA-N 0 3 335.404 2.137 20 5 EEBDHN CC[C@H](NCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181228615 529591966 /nfs/dbraw/zinc/59/19/66/529591966.db2.gz OGPHYXGMYVUJOY-AWEZNQCLSA-N 0 3 326.418 2.460 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000181581075 234240685 /nfs/dbraw/zinc/24/06/85/234240685.db2.gz VSAWBSMZHIMXBR-CYBMUJFWSA-N 0 3 327.768 2.201 20 5 EEBDHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1[N+](=O)[O-] ZINC000181811262 234332543 /nfs/dbraw/zinc/33/25/43/234332543.db2.gz QNRVPGHCZKROKS-GFCCVEGCSA-N 0 3 346.343 2.324 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(O)(C(F)F)CC2)cc1 ZINC000426207753 241238197 /nfs/dbraw/zinc/23/81/97/241238197.db2.gz XSGCTPZWTPJJLI-UHFFFAOYSA-N 0 3 330.331 2.456 20 5 EEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236849804 242382868 /nfs/dbraw/zinc/38/28/68/242382868.db2.gz JZGQDCCFTGVCRC-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451626939 243183308 /nfs/dbraw/zinc/18/33/08/243183308.db2.gz ANFDDAXSGUCHRK-UKRRQHHQSA-N 0 3 337.376 2.089 20 5 EEBDHN CCOC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496235008 247396537 /nfs/dbraw/zinc/39/65/37/247396537.db2.gz QPHKEQJYCCMLHQ-IINYFYTJSA-N 0 3 342.323 2.211 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087293 248087337 /nfs/dbraw/zinc/08/73/37/248087337.db2.gz OBSZYPXJAHYNST-BXUZGUMPSA-N 0 3 330.388 2.488 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000266398733 248281814 /nfs/dbraw/zinc/28/18/14/248281814.db2.gz PACNFFWVGKSSFK-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419606 256133463 /nfs/dbraw/zinc/13/34/63/256133463.db2.gz GIWUSFGTNLLWMC-PXAZEXFGSA-N 0 3 349.387 2.245 20 5 EEBDHN COCCOCCOCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000274475705 256374611 /nfs/dbraw/zinc/37/46/11/256374611.db2.gz ZXAYKFULVMEQQM-UHFFFAOYSA-N 0 3 346.811 2.408 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1Cc1ccccc1 ZINC000342380755 161061120 /nfs/dbraw/zinc/06/11/20/161061120.db2.gz KCMNZKRZMZXMQP-OCCSQVGLSA-N 0 3 328.372 2.316 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344795913 161246606 /nfs/dbraw/zinc/24/66/06/161246606.db2.gz MUUFDQZEZFFKEX-UHFFFAOYSA-N 0 3 330.388 2.137 20 5 EEBDHN O=C(N1CCCN2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000369857068 166344788 /nfs/dbraw/zinc/34/47/88/166344788.db2.gz QGKOTHAZHUTEOR-AWEZNQCLSA-N 0 3 339.342 2.383 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404095 167035730 /nfs/dbraw/zinc/03/57/30/167035730.db2.gz VZSBFRHVOGKGMX-KGLIPLIRSA-N 0 3 336.388 2.341 20 5 EEBDHN C[C@@H]1N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375245229 167095595 /nfs/dbraw/zinc/09/55/95/167095595.db2.gz LMSIEBRLWDSAMX-LBPRGKRZSA-N 0 3 333.388 2.085 20 5 EEBDHN Cc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277493997 274298814 /nfs/dbraw/zinc/29/88/14/274298814.db2.gz JOSAFJSMIWKJIR-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000287966058 275010608 /nfs/dbraw/zinc/01/06/08/275010608.db2.gz YZSKKUUZPIOFEP-ZDUSSCGKSA-N 0 3 335.404 2.467 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291774936 275339009 /nfs/dbraw/zinc/33/90/09/275339009.db2.gz LWZMTTWUKRJTAX-ZDUSSCGKSA-N 0 3 332.360 2.126 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533251 276760547 /nfs/dbraw/zinc/76/05/47/276760547.db2.gz OMNCNUFLFXHCKG-JEZWAEDTSA-N 0 3 347.415 2.177 20 5 EEBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000370503801 276806020 /nfs/dbraw/zinc/80/60/20/276806020.db2.gz YTSBXYTUPUSAGW-NSHDSACASA-N 0 3 331.328 2.157 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000338697407 277938407 /nfs/dbraw/zinc/93/84/07/277938407.db2.gz XLGGIYBOPDRKBW-ZBFHGGJFSA-N 0 3 348.447 2.066 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000297523157 294269103 /nfs/dbraw/zinc/26/91/03/294269103.db2.gz BKWDGZHYIQHDES-MFKMUULPSA-N 0 3 339.367 2.155 20 5 EEBDHN CN1CC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000350183994 312317254 /nfs/dbraw/zinc/31/72/54/312317254.db2.gz REQFNGLFPOKZKW-SNVBAGLBSA-N 0 3 327.344 2.469 20 5 EEBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCOC1 ZINC000355374575 312395388 /nfs/dbraw/zinc/39/53/88/312395388.db2.gz VJDQEBFLFMIJKR-HEHGZKQESA-N 0 3 333.388 2.105 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000421780042 314163079 /nfs/dbraw/zinc/16/30/79/314163079.db2.gz QGPWWRWGKSGSEI-INIZCTEOSA-N 0 3 337.445 2.379 20 5 EEBDHN CC(COC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000496841357 316291269 /nfs/dbraw/zinc/29/12/69/316291269.db2.gz VPANHGNRBCVQGY-RYUDHWBXSA-N 0 3 342.392 2.232 20 5 EEBDHN CC(COC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496852816 316298898 /nfs/dbraw/zinc/29/88/98/316298898.db2.gz KAXVAVRKVBBJLN-NSHDSACASA-N 0 3 330.381 2.232 20 5 EEBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011552 316947223 /nfs/dbraw/zinc/94/72/23/316947223.db2.gz OUBNZTYKKHANGL-ZEGGKSINSA-N 0 3 341.795 2.324 20 5 EEBDHN O=C(CN[C@@H](CO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000541985030 318119870 /nfs/dbraw/zinc/11/98/70/318119870.db2.gz SPMCPGABPMDXCT-INIZCTEOSA-N 0 3 347.415 2.015 20 5 EEBDHN CCN(C[C@H]1CCCN1CC)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000548453393 318389944 /nfs/dbraw/zinc/38/99/44/318389944.db2.gz OHARNBVZWXCKOB-OAHLLOKOSA-N 0 3 335.404 2.306 20 5 EEBDHN COc1ccc(CC(=O)N2C[C@@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000564722471 319104471 /nfs/dbraw/zinc/10/44/71/319104471.db2.gz PTWZIRMFQJPTQM-AWEZNQCLSA-N 0 3 341.367 2.063 20 5 EEBDHN CN(C[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556501 319300285 /nfs/dbraw/zinc/30/02/85/319300285.db2.gz NXFGEMVIFNYZQW-AWEZNQCLSA-N 0 3 347.337 2.158 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477216 533706487 /nfs/dbraw/zinc/70/64/87/533706487.db2.gz ZOOBTCNADNXENN-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN CCc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000580558483 324087422 /nfs/dbraw/zinc/08/74/22/324087422.db2.gz HQOYYNLTLWVADA-LBPRGKRZSA-N 0 3 343.449 2.164 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000580930656 324153034 /nfs/dbraw/zinc/15/30/34/324153034.db2.gz WOWJDVJXRBGVQN-MELADBBJSA-N 0 3 332.404 2.090 20 5 EEBDHN CC(=O)c1cccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000581365273 324238552 /nfs/dbraw/zinc/23/85/52/324238552.db2.gz KXQXZAMTPOFZBW-QGZVFWFLSA-N 0 3 344.367 2.327 20 5 EEBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000347577816 465101141 /nfs/dbraw/zinc/10/11/41/465101141.db2.gz GSQKRAQHIGRFIZ-JKSUJKDBSA-N 0 3 343.431 2.386 20 5 EEBDHN CC(=O)NCC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347625938 465130722 /nfs/dbraw/zinc/13/07/22/465130722.db2.gz DCRSSCYEIGGLKW-OAHLLOKOSA-N 0 3 335.404 2.212 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000046034334 462639007 /nfs/dbraw/zinc/63/90/07/462639007.db2.gz RJNMKSRLRNBWLQ-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC1(C)CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015531 462767431 /nfs/dbraw/zinc/76/74/31/462767431.db2.gz IURRXMSBDFQOTK-CQSZACIVSA-N 0 3 341.433 2.041 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394389 462787757 /nfs/dbraw/zinc/78/77/57/462787757.db2.gz OYXUBTGRZMDHMS-QWHCGFSZSA-N 0 3 345.403 2.307 20 5 EEBDHN COC[C@@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000117946139 462818485 /nfs/dbraw/zinc/81/84/85/462818485.db2.gz DNKAOYQMYUMPAE-INIZCTEOSA-N 0 3 345.399 2.460 20 5 EEBDHN Nc1nc(NC[C@@H](c2cccs2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000076267196 462831829 /nfs/dbraw/zinc/83/18/29/462831829.db2.gz GHGGHPNRZGZVFV-JTQLQIEISA-N 0 3 334.405 2.278 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](N2CCCC2)C1 ZINC000133878245 462980957 /nfs/dbraw/zinc/98/09/57/462980957.db2.gz PHMWPOBXSNQDOH-ZDUSSCGKSA-N 0 3 340.383 2.453 20 5 EEBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC000160528356 463346653 /nfs/dbraw/zinc/34/66/53/463346653.db2.gz NOQOISRRLYEJLH-GFCCVEGCSA-N 0 3 345.321 2.184 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCn1ccnc1 ZINC000124316652 463408572 /nfs/dbraw/zinc/40/85/72/463408572.db2.gz HXJJKEOGEQEJKJ-CYBMUJFWSA-N 0 3 331.376 2.140 20 5 EEBDHN COc1cc(CNC[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000105493138 463453484 /nfs/dbraw/zinc/45/34/84/463453484.db2.gz KZNGIHPDTQTLDS-HNNXBMFYSA-N 0 3 346.383 2.305 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C(C)C)CC1 ZINC000072603774 463523990 /nfs/dbraw/zinc/52/39/90/463523990.db2.gz FVWLSXYABLMCIO-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112547865 463703572 /nfs/dbraw/zinc/70/35/72/463703572.db2.gz CFVUSSMMLJWSFD-SNVBAGLBSA-N 0 3 337.767 2.062 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000276719223 463730612 /nfs/dbraw/zinc/73/06/12/463730612.db2.gz ZJQSEHLFFLGIIJ-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000261706408 463833955 /nfs/dbraw/zinc/83/39/55/463833955.db2.gz KALZQYXUGGDQCB-JKSUJKDBSA-N 0 3 325.368 2.470 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185878746 463897065 /nfs/dbraw/zinc/89/70/65/463897065.db2.gz FCTOCERBXDDLOQ-ZDUSSCGKSA-N 0 3 340.855 2.364 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000269295910 463944948 /nfs/dbraw/zinc/94/49/48/463944948.db2.gz AKAYILHGTGFNNB-UHFFFAOYSA-N 0 3 345.403 2.433 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000269340776 463958459 /nfs/dbraw/zinc/95/84/59/463958459.db2.gz HPHJCOVIICRBGA-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000269340776 463958463 /nfs/dbraw/zinc/95/84/63/463958463.db2.gz HPHJCOVIICRBGA-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN CCOc1ccccc1[C@@H](CC)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754714 464182573 /nfs/dbraw/zinc/18/25/73/464182573.db2.gz GPBBQARPDUQOAT-GDBMZVCRSA-N 0 3 348.403 2.292 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000292507433 464256181 /nfs/dbraw/zinc/25/61/81/464256181.db2.gz HQLCKUNMHKJHTF-KRWDZBQOSA-N 0 3 328.372 2.244 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186482 464452180 /nfs/dbraw/zinc/45/21/80/464452180.db2.gz PUPHCVRGPZMTID-ZWNOBZJWSA-N 0 3 333.388 2.267 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000281469815 464466162 /nfs/dbraw/zinc/46/61/62/464466162.db2.gz GFRZZWPMFVKCDP-HNNXBMFYSA-N 0 3 349.431 2.472 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272375450 464582911 /nfs/dbraw/zinc/58/29/11/464582911.db2.gz ROQXYPFZJZOFJP-SNVBAGLBSA-N 0 3 349.416 2.013 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285533942 464599289 /nfs/dbraw/zinc/59/92/89/464599289.db2.gz LDGTWWZMJLECMZ-RBSFLKMASA-N 0 3 346.431 2.480 20 5 EEBDHN CC(C)c1nc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000294818350 464615152 /nfs/dbraw/zinc/61/51/52/464615152.db2.gz OQNQUYSQQPJFSS-LLVKDONJSA-N 0 3 346.391 2.343 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](COCc3ccccc3)C2)n1 ZINC000176269751 464735997 /nfs/dbraw/zinc/73/59/97/464735997.db2.gz AVVCHOVJBBIXDA-MRXNPFEDSA-N 0 3 330.388 2.330 20 5 EEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000295227819 464751654 /nfs/dbraw/zinc/75/16/54/464751654.db2.gz BIGVRJULSIGFRE-GFCCVEGCSA-N 0 3 333.388 2.160 20 5 EEBDHN CC[C@H](C)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000295250562 464760770 /nfs/dbraw/zinc/76/07/70/464760770.db2.gz QHHBMNXHNCJYAL-ZDUSSCGKSA-N 0 3 335.404 2.377 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(O)CCSC2)c1 ZINC000176760181 464843350 /nfs/dbraw/zinc/84/33/50/464843350.db2.gz OYYDPIOJQODUQJ-CYBMUJFWSA-N 0 3 334.344 2.154 20 5 EEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000192028475 464852809 /nfs/dbraw/zinc/85/28/09/464852809.db2.gz CRSUSAJZFOXQNJ-LBPRGKRZSA-N 0 3 347.824 2.044 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286494804 464939419 /nfs/dbraw/zinc/93/94/19/464939419.db2.gz RQKZXPRTOTYGAJ-OCCSQVGLSA-N 0 3 348.403 2.230 20 5 EEBDHN Cc1c(C(=O)N2CCC(OCCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000351894713 465425572 /nfs/dbraw/zinc/42/55/72/465425572.db2.gz LXAXRTJKTSGBGL-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357012282 465699637 /nfs/dbraw/zinc/69/96/37/465699637.db2.gz QQLILWXTACGHQM-JTQLQIEISA-N 0 3 335.360 2.382 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330552030 465701545 /nfs/dbraw/zinc/70/15/45/465701545.db2.gz FFCFMJJECBICPA-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330560104 465707054 /nfs/dbraw/zinc/70/70/54/465707054.db2.gz IOUCMZWVPSJDFA-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330560105 465707190 /nfs/dbraw/zinc/70/71/90/465707190.db2.gz IOUCMZWVPSJDFA-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335464 465723108 /nfs/dbraw/zinc/72/31/08/465723108.db2.gz LFBSKENRBRUMOE-DOTOQJQBSA-N 0 3 330.388 2.416 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200033 465984265 /nfs/dbraw/zinc/98/42/65/465984265.db2.gz QSGGVHHDXSXLFB-ZQIUZPCESA-N 0 3 347.415 2.162 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346238256 466017190 /nfs/dbraw/zinc/01/71/90/466017190.db2.gz OHVSMRRZPMZZBH-XJKCOSOUSA-N 0 3 347.415 2.406 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301729361 466018073 /nfs/dbraw/zinc/01/80/73/466018073.db2.gz RPKPDKDGZNJXNY-ZDUSSCGKSA-N 0 3 336.348 2.168 20 5 EEBDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000349379614 466090063 /nfs/dbraw/zinc/09/00/63/466090063.db2.gz CGTHMHKHLROFTH-BLLLJJGKSA-N 0 3 330.388 2.198 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000349796957 466244637 /nfs/dbraw/zinc/24/46/37/466244637.db2.gz DCMNGTWMYBAGNN-CYBMUJFWSA-N 0 3 343.449 2.219 20 5 EEBDHN CN1CC[C@](O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174198 466514017 /nfs/dbraw/zinc/51/40/17/466514017.db2.gz XXJNHPWOQOZMJR-KRWDZBQOSA-N 0 3 331.372 2.011 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC(C)(C)O)CC1 ZINC000347310904 466552759 /nfs/dbraw/zinc/55/27/59/466552759.db2.gz GLGQCYAYKRERRI-PTNGSMBKSA-N 0 3 333.432 2.387 20 5 EEBDHN Cc1c(CC(=O)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423680600 466801373 /nfs/dbraw/zinc/80/13/73/466801373.db2.gz UNGYGRMUAGGYLE-QGZVFWFLSA-N 0 3 339.395 2.449 20 5 EEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000411974452 466953890 /nfs/dbraw/zinc/95/38/90/466953890.db2.gz YQLXNKJWPMINAU-SFHVURJKSA-N 0 3 343.358 2.363 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411977908 466955884 /nfs/dbraw/zinc/95/58/84/466955884.db2.gz KVOXYZJQQBFVLX-JKSUJKDBSA-N 0 3 325.368 2.296 20 5 EEBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CCN1C[C@@H](C)O ZINC000413129289 467175451 /nfs/dbraw/zinc/17/54/51/467175451.db2.gz LHLQBWRPTDAFPA-ZIAGYGMSSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339319 467233412 /nfs/dbraw/zinc/23/34/12/467233412.db2.gz YRDIUBUAOVBSBM-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)c1nc2sccn2c1[N+](=O)[O-] ZINC000433424268 467331732 /nfs/dbraw/zinc/33/17/32/467331732.db2.gz MISJCQFIEMTYJL-UHFFFAOYSA-N 0 3 346.416 2.267 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376153 467384683 /nfs/dbraw/zinc/38/46/83/467384683.db2.gz JQGKKHTWIRWRKD-JSGCOSHPSA-N 0 3 330.392 2.043 20 5 EEBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(C2CCN(C)CC2)n1 ZINC000430454332 467430441 /nfs/dbraw/zinc/43/04/41/467430441.db2.gz KCFBCSFNHXQXJX-UHFFFAOYSA-N 0 3 333.348 2.212 20 5 EEBDHN CO[C@H]1COCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456267 467647520 /nfs/dbraw/zinc/64/75/20/467647520.db2.gz MFWJFMCHFRTNNE-YGRLFVJLSA-N 0 3 346.330 2.337 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497606 467651988 /nfs/dbraw/zinc/65/19/88/467651988.db2.gz AQQKYVCSSGIKAC-IRXDYDNUSA-N 0 3 348.399 2.348 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648882 468092236 /nfs/dbraw/zinc/09/22/36/468092236.db2.gz MFSFWVRIWXMTOP-UKRRQHHQSA-N 0 3 342.399 2.499 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594195348 468508712 /nfs/dbraw/zinc/50/87/12/468508712.db2.gz FZRZICZNPDJQCF-NVXWUHKLSA-N 0 3 347.415 2.415 20 5 EEBDHN COc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197152 468508851 /nfs/dbraw/zinc/50/88/51/468508851.db2.gz AMDJYUMUWTYNJQ-ZIAGYGMSSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594201135 468510576 /nfs/dbraw/zinc/51/05/76/468510576.db2.gz NZCLNSHXLJUQEW-CVEARBPZSA-N 0 3 333.388 2.107 20 5 EEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000597717011 468648679 /nfs/dbraw/zinc/64/86/79/468648679.db2.gz VWDDJWHLCWHEIK-QGZVFWFLSA-N 0 3 343.387 2.029 20 5 EEBDHN CCCN1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097593 468758470 /nfs/dbraw/zinc/75/84/70/468758470.db2.gz YUCIFEOVTWFSHO-RDJZCZTQSA-N 0 3 343.431 2.492 20 5 EEBDHN O=C([C@@H]1CNCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966012 468829943 /nfs/dbraw/zinc/82/99/43/468829943.db2.gz REMSMDJBBJQHGA-AWEZNQCLSA-N 0 3 339.342 2.331 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000602841841 469110936 /nfs/dbraw/zinc/11/09/36/469110936.db2.gz WBHSULUJMUOUHI-LLVKDONJSA-N 0 3 326.397 2.009 20 5 EEBDHN CN(C)CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000602231734 469250006 /nfs/dbraw/zinc/25/00/06/469250006.db2.gz QCNWVDCWQWNQBW-UHFFFAOYSA-N 0 3 330.344 2.183 20 5 EEBDHN Cc1cc(N2CCN(C(C)(C)CO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611930412 469346912 /nfs/dbraw/zinc/34/69/12/469346912.db2.gz SVCUVUFZOMMIMT-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603671245 469422585 /nfs/dbraw/zinc/42/25/85/469422585.db2.gz MYIPVXCAAXROBV-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H](CCO)C3CCOCC3)nc2c1 ZINC000613130268 469636124 /nfs/dbraw/zinc/63/61/24/469636124.db2.gz MQSWIKGEIMNNRV-CYBMUJFWSA-N 0 3 335.360 2.003 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000619583316 469645295 /nfs/dbraw/zinc/64/52/95/469645295.db2.gz ISYYABOPHNZFAK-HNNXBMFYSA-N 0 3 347.415 2.273 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)C[C@H]3CO)s2)cc1 ZINC000187669950 534880971 /nfs/dbraw/zinc/88/09/71/534880971.db2.gz HRQMVTBBWPXIQV-KBPBESRZSA-N 0 3 334.397 2.251 20 5 EEBDHN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534420 528203048 /nfs/dbraw/zinc/20/30/48/528203048.db2.gz PYIVDVCFAQSLJT-CZUORRHYSA-N 0 3 348.403 2.290 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173995847 528259524 /nfs/dbraw/zinc/25/95/24/528259524.db2.gz FHFQHYMDTLJYHP-CYBMUJFWSA-N 0 3 341.433 2.008 20 5 EEBDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279112 577456644 /nfs/dbraw/zinc/45/66/44/577456644.db2.gz XHSMUGWAECVNDF-RHSMWYFYSA-N 0 3 330.388 2.241 20 5 EEBDHN CO[C@H](CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009580 577470947 /nfs/dbraw/zinc/47/09/47/577470947.db2.gz JAJWCPZJVHAGMB-JOYOIKCWSA-N 0 3 349.309 2.479 20 5 EEBDHN Cc1nn(CN2CC[C@H](N3CC=CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765033050 577493220 /nfs/dbraw/zinc/49/32/20/577493220.db2.gz GGIRHJODFYDBLR-HNNXBMFYSA-N 0 3 327.388 2.157 20 5 EEBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000761531209 577685511 /nfs/dbraw/zinc/68/55/11/577685511.db2.gz FJFDFDUHDRCOSX-UHFFFAOYSA-N 0 3 342.779 2.450 20 5 EEBDHN NC(=O)C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000754503356 577807257 /nfs/dbraw/zinc/80/72/57/577807257.db2.gz SMCMDOYCTSAZRV-ZDUSSCGKSA-N 0 3 341.795 2.008 20 5 EEBDHN O=C1OCCN1CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862466 577890804 /nfs/dbraw/zinc/89/08/04/577890804.db2.gz DXVBSCIZZWAMKY-UHFFFAOYSA-N 0 3 349.387 2.280 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736570053 578212076 /nfs/dbraw/zinc/21/20/76/578212076.db2.gz NBHFZJQNLIWCTK-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736570053 578212077 /nfs/dbraw/zinc/21/20/77/578212077.db2.gz NBHFZJQNLIWCTK-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736570053 578212078 /nfs/dbraw/zinc/21/20/78/578212078.db2.gz NBHFZJQNLIWCTK-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736570053 578212079 /nfs/dbraw/zinc/21/20/79/578212079.db2.gz NBHFZJQNLIWCTK-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568853 578212088 /nfs/dbraw/zinc/21/20/88/578212088.db2.gz DCIWFDSKGAJLBS-AAEUAGOBSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568853 578212089 /nfs/dbraw/zinc/21/20/89/578212089.db2.gz DCIWFDSKGAJLBS-AAEUAGOBSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568853 578212090 /nfs/dbraw/zinc/21/20/90/578212090.db2.gz DCIWFDSKGAJLBS-AAEUAGOBSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568853 578212091 /nfs/dbraw/zinc/21/20/91/578212091.db2.gz DCIWFDSKGAJLBS-AAEUAGOBSA-N 0 3 345.407 2.084 20 5 EEBDHN O=C(Cc1ccoc1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021999904 676576709 /nfs/dbraw/zinc/57/67/09/676576709.db2.gz MBMLNLPJWXCGET-GASCZTMLSA-N 0 3 329.356 2.167 20 5 EEBDHN CCNc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892801387 683080086 /nfs/dbraw/zinc/08/00/86/683080086.db2.gz RPDWKORVUCMCKX-QGZVFWFLSA-N 0 3 332.404 2.241 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000872037932 1198033101 /nfs/dbraw/zinc/03/31/01/1198033101.db2.gz HDVLEMWPYNZWTR-YGRLFVJLSA-N 0 3 336.417 2.434 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877341534 1199907741 /nfs/dbraw/zinc/90/77/41/1199907741.db2.gz TXCGBIRSSLOFFX-OAHLLOKOSA-N 0 3 325.368 2.348 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC000877346309 1199909257 /nfs/dbraw/zinc/90/92/57/1199909257.db2.gz QZYZSVNLUKKNBC-AWEZNQCLSA-N 0 3 341.367 2.048 20 5 EEBDHN CONC(=O)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000877786093 1200103436 /nfs/dbraw/zinc/10/34/36/1200103436.db2.gz UOPWNJPHDYVRPL-RAXLEYEMSA-N 0 3 333.388 2.388 20 5 EEBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC2=O)cc1C ZINC000813108219 1201120165 /nfs/dbraw/zinc/12/01/65/1201120165.db2.gz VZLGKOBCPFAWCI-UONOGXRCSA-N 0 3 334.372 2.255 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813112620 1201123056 /nfs/dbraw/zinc/12/30/56/1201123056.db2.gz RQQAZAMVDNYVFB-VIFPVBQESA-N 0 3 338.751 2.305 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095605615 1205889167 /nfs/dbraw/zinc/88/91/67/1205889167.db2.gz UOPHYWVXIMPGLU-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476426 1205981845 /nfs/dbraw/zinc/98/18/45/1205981845.db2.gz SYQVMOCAKJXXEG-WFASDCNBSA-N 0 3 346.387 2.062 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000931494607 1207397114 /nfs/dbraw/zinc/39/71/14/1207397114.db2.gz ZWIGVVLYKQYVOA-IRXDYDNUSA-N 0 3 341.415 2.058 20 5 EEBDHN O=C(c1ccoc1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048676651 1238264858 /nfs/dbraw/zinc/26/48/58/1238264858.db2.gz HGXYUHIOEVEUMT-IYBDPMFKSA-N 0 3 341.367 2.392 20 5 EEBDHN CN(C)C1(C(=O)NCCN(c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC001101398312 1245764679 /nfs/dbraw/zinc/76/46/79/1245764679.db2.gz FJRVFGOIZAFPMT-UHFFFAOYSA-N 0 3 346.431 2.164 20 5 EEBDHN COc1cc(CNC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000114508353 1293591634 /nfs/dbraw/zinc/59/16/34/1293591634.db2.gz DOJABHNOSKHIRC-KRWDZBQOSA-N 0 3 332.356 2.306 20 5 EEBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001222216722 1299422815 /nfs/dbraw/zinc/42/28/15/1299422815.db2.gz HDNLKEVLPGXVCD-UHFFFAOYSA-N 0 3 327.331 2.188 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243035 1302170611 /nfs/dbraw/zinc/17/06/11/1302170611.db2.gz SNOUDFZRHQAZIC-GFCCVEGCSA-N 0 3 332.360 2.495 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243035 1302170619 /nfs/dbraw/zinc/17/06/19/1302170619.db2.gz SNOUDFZRHQAZIC-GFCCVEGCSA-N 0 3 332.360 2.495 20 5 EEBDHN CN(CCCNC(=O)c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231196220 1303676220 /nfs/dbraw/zinc/67/62/20/1303676220.db2.gz GIAMUBZFANTEGZ-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN O=C(/C=C/c1ccco1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154222125 1316999465 /nfs/dbraw/zinc/99/94/65/1316999465.db2.gz PBBDJKWCAUYOQQ-CMDGGOBGSA-N 0 3 329.356 2.497 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154846896 1317348316 /nfs/dbraw/zinc/34/83/16/1317348316.db2.gz IVOFFIVIJFPAPJ-UHFFFAOYSA-N 0 3 327.266 2.148 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001156411357 1317999392 /nfs/dbraw/zinc/99/93/92/1317999392.db2.gz CSPDSJWSFYLFDH-UHFFFAOYSA-N 0 3 333.360 2.298 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1ccn[nH]1 ZINC001163524186 1321149415 /nfs/dbraw/zinc/14/94/15/1321149415.db2.gz QDNNGJRJBNATQG-UHFFFAOYSA-N 0 3 343.387 2.008 20 5 EEBDHN O=[N+]([O-])c1cc(CO)c(N2CCN[C@H](c3ccccc3)C2)cc1F ZINC001307214720 1331517288 /nfs/dbraw/zinc/51/72/88/1331517288.db2.gz QOVAUQIPMBTWMU-HNNXBMFYSA-N 0 3 331.347 2.377 20 5 EEBDHN Nc1ccc(NC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC001310991962 1331740609 /nfs/dbraw/zinc/74/06/09/1331740609.db2.gz IHOOVTSYFXBOLA-CYBMUJFWSA-N 0 3 333.392 2.315 20 5 EEBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717994 1332940326 /nfs/dbraw/zinc/94/03/26/1332940326.db2.gz XJIIWRDBQSVRLQ-RYUDHWBXSA-N 0 3 338.360 2.043 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC001322418015 1333261645 /nfs/dbraw/zinc/26/16/45/1333261645.db2.gz XCRNNIUTGZVUME-UHFFFAOYSA-N 0 3 336.461 2.494 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609212753 1351894924 /nfs/dbraw/zinc/89/49/24/1351894924.db2.gz JQVSXIDZRPGUTE-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609212753 1351894926 /nfs/dbraw/zinc/89/49/26/1351894926.db2.gz JQVSXIDZRPGUTE-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609212753 1351894928 /nfs/dbraw/zinc/89/49/28/1351894928.db2.gz JQVSXIDZRPGUTE-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609212753 1351894930 /nfs/dbraw/zinc/89/49/30/1351894930.db2.gz JQVSXIDZRPGUTE-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404419 1351963574 /nfs/dbraw/zinc/96/35/74/1351963574.db2.gz XSEHPPDWUAERLN-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404419 1351963577 /nfs/dbraw/zinc/96/35/77/1351963577.db2.gz XSEHPPDWUAERLN-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911031 1344074919 /nfs/dbraw/zinc/07/49/19/1344074919.db2.gz WSQHSPOPANAWEE-TVQRCGJNSA-N 0 3 334.376 2.004 20 5 EEBDHN CC(C)[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457379 1348992462 /nfs/dbraw/zinc/99/24/62/1348992462.db2.gz VDJVWWHNWOYICI-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457379 1348992463 /nfs/dbraw/zinc/99/24/63/1348992463.db2.gz VDJVWWHNWOYICI-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258862 1349233141 /nfs/dbraw/zinc/23/31/41/1349233141.db2.gz DBAJFDMOISFYQF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258862 1349233147 /nfs/dbraw/zinc/23/31/47/1349233147.db2.gz DBAJFDMOISFYQF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258862 1349233152 /nfs/dbraw/zinc/23/31/52/1349233152.db2.gz DBAJFDMOISFYQF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258862 1349233155 /nfs/dbraw/zinc/23/31/55/1349233155.db2.gz DBAJFDMOISFYQF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603288584 1350681097 /nfs/dbraw/zinc/68/10/97/1350681097.db2.gz YXZDNHQIYOHMKS-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603288584 1350681100 /nfs/dbraw/zinc/68/11/00/1350681100.db2.gz YXZDNHQIYOHMKS-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603288584 1350681104 /nfs/dbraw/zinc/68/11/04/1350681104.db2.gz YXZDNHQIYOHMKS-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603288584 1350681107 /nfs/dbraw/zinc/68/11/07/1350681107.db2.gz YXZDNHQIYOHMKS-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CO[C@](C)([C@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997304 1351048919 /nfs/dbraw/zinc/04/89/19/1351048919.db2.gz BILMEVXITOPHMD-MGPLVRAMSA-N 0 3 346.391 2.068 20 5 EEBDHN CO[C@](C)([C@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997304 1351048921 /nfs/dbraw/zinc/04/89/21/1351048921.db2.gz BILMEVXITOPHMD-MGPLVRAMSA-N 0 3 346.391 2.068 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000861033911 1369484182 /nfs/dbraw/zinc/48/41/82/1369484182.db2.gz YJRCKSVZCDZTKY-ZDUSSCGKSA-N 0 3 347.371 2.344 20 5 EEBDHN COc1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000835453661 1372625269 /nfs/dbraw/zinc/62/52/69/1372625269.db2.gz FPJOXQNFFHKSKJ-ZETCQYMHSA-N 0 3 348.149 2.288 20 5 EEBDHN Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007808 1403983867 /nfs/dbraw/zinc/98/38/67/1403983867.db2.gz MFNWCQWBPYTOBP-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007808 1403983874 /nfs/dbraw/zinc/98/38/74/1403983874.db2.gz MFNWCQWBPYTOBP-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007808 1403983881 /nfs/dbraw/zinc/98/38/81/1403983881.db2.gz MFNWCQWBPYTOBP-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007808 1403983886 /nfs/dbraw/zinc/98/38/86/1403983886.db2.gz MFNWCQWBPYTOBP-UHFFFAOYSA-N 0 3 345.407 2.004 20 5 EEBDHN C[C@H]1CCCN1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000780865694 760481236 /nfs/dbraw/zinc/48/12/36/760481236.db2.gz ICOMEFQDBICPRG-JTQLQIEISA-N 0 3 347.824 2.011 20 5 EEBDHN CCCN(C)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127684197 778776269 /nfs/dbraw/zinc/77/62/69/778776269.db2.gz JGHMKCNZVYXNHB-UHFFFAOYSA-N 0 3 346.431 2.189 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846973892 790755242 /nfs/dbraw/zinc/75/52/42/790755242.db2.gz QTYOMPSYIJMUOJ-LBPRGKRZSA-N 0 3 339.367 2.055 20 5 EEBDHN CN(C)C1(C(=O)NC[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001091486037 790974881 /nfs/dbraw/zinc/97/48/81/790974881.db2.gz LIBRBFSIOBZKKB-HDJSIYSDSA-N 0 3 346.431 2.386 20 5 EEBDHN O=C(c1cc[nH]c1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996636068 786904391 /nfs/dbraw/zinc/90/43/91/786904391.db2.gz ZOWPUMUTULHMCX-UHFFFAOYSA-N 0 3 334.401 2.379 20 5 EEBDHN CN(C)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825510709 788659596 /nfs/dbraw/zinc/65/95/96/788659596.db2.gz FHLNPKBEAHIDJN-QGZVFWFLSA-N 0 3 343.383 2.223 20 5 EEBDHN CCCc1onc(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127112210 789338887 /nfs/dbraw/zinc/33/88/87/789338887.db2.gz MDJPDZZAAYHGGX-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN CC([C@@H](OC(=O)CNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872195 789971539 /nfs/dbraw/zinc/97/15/39/789971539.db2.gz DMXKNBRBTKNDGR-QMTHXVAHSA-N 0 3 340.351 2.238 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cnccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877723 789972387 /nfs/dbraw/zinc/97/23/87/789972387.db2.gz GGSRMAVFSCIOAA-MEDUHNTESA-N 0 3 333.319 2.498 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCOC2=O)CC1 ZINC001173231790 797312039 /nfs/dbraw/zinc/31/20/39/797312039.db2.gz DDTHWNXNKKZZEP-CYBMUJFWSA-N 0 3 333.388 2.442 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1 ZINC000917092258 798077066 /nfs/dbraw/zinc/07/70/66/798077066.db2.gz PYXMGRSCBMZOGH-UHFFFAOYSA-N 0 3 344.415 2.019 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001086397578 802892590 /nfs/dbraw/zinc/89/25/90/802892590.db2.gz YXHORAPTKFDRDU-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000337250065 282097249 /nfs/dbraw/zinc/09/72/49/282097249.db2.gz MLOBOIDARVPXNA-UHFFFAOYSA-N 0 3 334.401 2.255 20 5 EEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173665083 529930236 /nfs/dbraw/zinc/93/02/36/529930236.db2.gz SYSIXELXANWAAW-ZDUSSCGKSA-N 0 3 341.433 2.090 20 5 EEBDHN C[C@H](CO)N1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450476103 242828853 /nfs/dbraw/zinc/82/88/53/242828853.db2.gz NAMAKTQYHLPMOJ-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770426 243154119 /nfs/dbraw/zinc/15/41/19/243154119.db2.gz MHSRILMXVOGGOZ-DANNLKNASA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@H](N[C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597822 243172122 /nfs/dbraw/zinc/17/21/22/243172122.db2.gz DLUPKRYTQYNYTO-YLVFBTJISA-N 0 3 347.415 2.309 20 5 EEBDHN CCCN(CC)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000080677894 217324889 /nfs/dbraw/zinc/32/48/89/217324889.db2.gz URFXDBDCXUQMGX-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264062777 246030305 /nfs/dbraw/zinc/03/03/05/246030305.db2.gz AKWFVIOFYVODFC-HNNXBMFYSA-N 0 3 330.388 2.102 20 5 EEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCN1C ZINC000491986780 246245751 /nfs/dbraw/zinc/24/57/51/246245751.db2.gz NGUWITJSPGOWBD-RYUDHWBXSA-N 0 3 334.376 2.446 20 5 EEBDHN Nc1nc(NC[C@@H]2CCCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000265157791 247256925 /nfs/dbraw/zinc/25/69/25/247256925.db2.gz VDXLHYVHSARLJZ-ZDUSSCGKSA-N 0 3 328.376 2.044 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000266398723 248281764 /nfs/dbraw/zinc/28/17/64/248281764.db2.gz PACNFFWVGKSSFK-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@@]1(c2ccccc2)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266564258 248361999 /nfs/dbraw/zinc/36/19/99/248361999.db2.gz ZAWLRJVNJPXCIU-QZTJIDSGSA-N 0 3 344.415 2.206 20 5 EEBDHN CCN1CCN([C@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132865 218196132 /nfs/dbraw/zinc/19/61/32/218196132.db2.gz XJBLNDGWTUDKJL-KRWDZBQOSA-N 0 3 332.448 2.115 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000246154793 256014479 /nfs/dbraw/zinc/01/44/79/256014479.db2.gz DHBOUYMBRPSQQU-CZUORRHYSA-N 0 3 334.420 2.119 20 5 EEBDHN Cc1ccnc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273250741 256280951 /nfs/dbraw/zinc/28/09/51/256280951.db2.gz UXYUHBDYAQXEGE-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083026763 159160265 /nfs/dbraw/zinc/16/02/65/159160265.db2.gz QAVXXTVEFZWRMY-OKILXGFUSA-N 0 3 335.404 2.214 20 5 EEBDHN COCCN(C)CCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188052491 160115097 /nfs/dbraw/zinc/11/50/97/160115097.db2.gz MPBOVGGYXSKCDE-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247312749 160319791 /nfs/dbraw/zinc/31/97/91/160319791.db2.gz RFIHDLJXCKNSCB-HOCLYGCPSA-N 0 3 346.431 2.340 20 5 EEBDHN CNC(=O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000343857986 161175272 /nfs/dbraw/zinc/17/52/72/161175272.db2.gz WIYGVYCWGQDTMP-UHFFFAOYSA-N 0 3 333.344 2.089 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344099390 161198365 /nfs/dbraw/zinc/19/83/65/161198365.db2.gz AZCQMXKTYSVMRF-NOLJZWGESA-N 0 3 335.379 2.471 20 5 EEBDHN CCN(CC)[C@@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345164173 161277788 /nfs/dbraw/zinc/27/77/88/161277788.db2.gz RBDHWDOAAYCOOZ-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359596197 164132924 /nfs/dbraw/zinc/13/29/24/164132924.db2.gz HGQNRJMLSJCNPC-KRWDZBQOSA-N 0 3 345.399 2.190 20 5 EEBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC=CCC1 ZINC000362262758 164622506 /nfs/dbraw/zinc/62/25/06/164622506.db2.gz QBBFLRYMEUDANB-HNNXBMFYSA-N 0 3 335.404 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C[C@H]3CO)s2)cc1 ZINC000364326751 165096603 /nfs/dbraw/zinc/09/66/03/165096603.db2.gz HRQMVTBBWPXIQV-UONOGXRCSA-N 0 3 334.397 2.251 20 5 EEBDHN COc1ccc(OCCN2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404096 167035712 /nfs/dbraw/zinc/03/57/12/167035712.db2.gz VZSBFRHVOGKGMX-UONOGXRCSA-N 0 3 336.388 2.341 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000375901293 167222215 /nfs/dbraw/zinc/22/22/15/167222215.db2.gz BBKXQFWDFSMBDN-DLBZAZTESA-N 0 3 342.399 2.178 20 5 EEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000376177044 167277091 /nfs/dbraw/zinc/27/70/91/167277091.db2.gz ZOGKQFYHCQFVGW-MRXNPFEDSA-N 0 3 346.431 2.014 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000272702718 269011311 /nfs/dbraw/zinc/01/13/11/269011311.db2.gz ZAKMHQMCZLYDGZ-BZNIZROVSA-N 0 3 328.372 2.242 20 5 EEBDHN CO[C@@H](C)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805805 269055394 /nfs/dbraw/zinc/05/53/94/269055394.db2.gz GPMNZPPUTBSQTR-LBPRGKRZSA-N 0 3 333.392 2.018 20 5 EEBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000275445558 269116368 /nfs/dbraw/zinc/11/63/68/269116368.db2.gz HTXZVZIFEBRNEM-UHFFFAOYSA-N 0 3 347.824 2.011 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000277932164 269198818 /nfs/dbraw/zinc/19/88/18/269198818.db2.gz NVGMSXOCLBEBLV-CQSZACIVSA-N 0 3 333.388 2.107 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772190 274085009 /nfs/dbraw/zinc/08/50/09/274085009.db2.gz SBSNARMRFKKJPA-HOTGVXAUSA-N 0 3 345.399 2.031 20 5 EEBDHN CN1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272598211 274176644 /nfs/dbraw/zinc/17/66/44/274176644.db2.gz XLEIKXQMHUSMBR-UHFFFAOYSA-N 0 3 340.811 2.138 20 5 EEBDHN NC(=O)c1cc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343499 274190206 /nfs/dbraw/zinc/19/02/06/274190206.db2.gz IWJIBZOHDSUMTN-SMDDNHRTSA-N 0 3 344.371 2.183 20 5 EEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCN1CCC(O)CC1 ZINC000278329007 274347545 /nfs/dbraw/zinc/34/75/45/274347545.db2.gz IGGXELVKDPZLPB-UHFFFAOYSA-N 0 3 348.325 2.267 20 5 EEBDHN COc1cc(CNCCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000278718341 274392640 /nfs/dbraw/zinc/39/26/40/274392640.db2.gz QHKGGYXOTYMWSH-UHFFFAOYSA-N 0 3 334.319 2.109 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CN3CCC[C@H]3CO1)CCC2 ZINC000365489595 275038232 /nfs/dbraw/zinc/03/82/32/275038232.db2.gz FWUVIUBWTDCMCY-LZLYRXPVSA-N 0 3 331.416 2.425 20 5 EEBDHN CCC(=O)c1ccc(NCCCN(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000288803503 275086332 /nfs/dbraw/zinc/08/63/32/275086332.db2.gz GCSYLOJQQNJHQQ-UHFFFAOYSA-N 0 3 336.436 2.483 20 5 EEBDHN CCN1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000267232647 276165028 /nfs/dbraw/zinc/16/50/28/276165028.db2.gz QHNJHUUBUZTFKQ-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262708432 279105212 /nfs/dbraw/zinc/10/52/12/279105212.db2.gz CACGHDKVSPBCMD-DTWKUNHWSA-N 0 3 342.193 2.180 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293543291 293235283 /nfs/dbraw/zinc/23/52/83/293235283.db2.gz YESUIMPSISGKJW-OKILXGFUSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN(C2CCC2)C1 ZINC000293684317 293270444 /nfs/dbraw/zinc/27/04/44/293270444.db2.gz LSOBVOXQJZTOEV-GFCCVEGCSA-N 0 3 332.404 2.123 20 5 EEBDHN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293726284 293280249 /nfs/dbraw/zinc/28/02/49/293280249.db2.gz QBKPSWRMYRXRBH-AWEZNQCLSA-N 0 3 346.431 2.340 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294139314 293379974 /nfs/dbraw/zinc/37/99/74/293379974.db2.gz MTVABLQTNKBBMT-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000298423530 294495477 /nfs/dbraw/zinc/49/54/77/294495477.db2.gz VURKBGRDIYLGQP-UHFFFAOYSA-N 0 3 334.376 2.352 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c1C ZINC000349782454 312309082 /nfs/dbraw/zinc/30/90/82/312309082.db2.gz JJWYELBURMWSAF-GFCCVEGCSA-N 0 3 343.449 2.219 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422031503 314172264 /nfs/dbraw/zinc/17/22/64/314172264.db2.gz CDLPXFJIUSNNEA-HNNXBMFYSA-N 0 3 333.388 2.110 20 5 EEBDHN COc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444606053 315310304 /nfs/dbraw/zinc/31/03/04/315310304.db2.gz DXSBOICLCTWWDU-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN C[C@@H]1C[C@@H](C)CN(CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000569988455 319626836 /nfs/dbraw/zinc/62/68/36/319626836.db2.gz LAPVTNWLHJJNFE-CHWSQXEVSA-N 0 3 346.387 2.389 20 5 EEBDHN O=[N+]([O-])c1ccccc1CCNCCS(=O)(=O)c1ccccc1 ZINC000576980895 320221977 /nfs/dbraw/zinc/22/19/77/320221977.db2.gz YJPDIYGIJNSIGK-UHFFFAOYSA-N 0 3 334.397 2.201 20 5 EEBDHN CNc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581530214 324270938 /nfs/dbraw/zinc/27/09/38/324270938.db2.gz CYVRHBNQGNRJBX-GFCCVEGCSA-N 0 3 332.404 2.193 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]([C@@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659168 468298362 /nfs/dbraw/zinc/29/83/62/468298362.db2.gz HXMMTHNVCKJAIJ-KSSFIOAISA-N 0 3 348.399 2.253 20 5 EEBDHN O=C(NC1CC1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000060379942 462545137 /nfs/dbraw/zinc/54/51/37/462545137.db2.gz GXELHLAGWUIIIQ-UHFFFAOYSA-N 0 3 332.404 2.385 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000047271297 462762619 /nfs/dbraw/zinc/76/26/19/462762619.db2.gz YDZZYVFOQJOIAP-UHFFFAOYSA-N 0 3 328.372 2.433 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394387 462788124 /nfs/dbraw/zinc/78/81/24/462788124.db2.gz OYXUBTGRZMDHMS-CHWSQXEVSA-N 0 3 345.403 2.307 20 5 EEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214085 462798227 /nfs/dbraw/zinc/79/82/27/462798227.db2.gz GBDUSUFFBYCNEE-YOEHRIQHSA-N 0 3 344.415 2.316 20 5 EEBDHN CC(C)CO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119970515 462947830 /nfs/dbraw/zinc/94/78/30/462947830.db2.gz JYSRCWFBDYTIGE-RDJZCZTQSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049969147 462980234 /nfs/dbraw/zinc/98/02/34/462980234.db2.gz QAWSSCHWIWVRIT-AWEZNQCLSA-N 0 3 334.420 2.195 20 5 EEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000052940511 463119931 /nfs/dbraw/zinc/11/99/31/463119931.db2.gz BISOQFNBLWQBEJ-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000029799924 463274494 /nfs/dbraw/zinc/27/44/94/463274494.db2.gz PVKTXSNDBRRULN-UHFFFAOYSA-N 0 3 344.371 2.377 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151039418 463469241 /nfs/dbraw/zinc/46/92/41/463469241.db2.gz CUNCGJSDLJENFY-MRXNPFEDSA-N 0 3 332.404 2.363 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000164174563 463617110 /nfs/dbraw/zinc/61/71/10/463617110.db2.gz BLVCZGCBHZUDFQ-IUODEOHRSA-N 0 3 333.388 2.160 20 5 EEBDHN CCCCN(C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000112309366 463697720 /nfs/dbraw/zinc/69/77/20/463697720.db2.gz UGWYCBORNBFSBY-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN CCN1CCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269676433 464054645 /nfs/dbraw/zinc/05/46/45/464054645.db2.gz YQPKXGVEESZAGV-UHFFFAOYSA-N 0 3 328.363 2.313 20 5 EEBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000195518846 464067898 /nfs/dbraw/zinc/06/78/98/464067898.db2.gz GCYLCABTLAXTJU-UHFFFAOYSA-N 0 3 331.376 2.179 20 5 EEBDHN Cc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907308 464125724 /nfs/dbraw/zinc/12/57/24/464125724.db2.gz HHCUQLHARSYNEL-WMZOPIPTSA-N 0 3 330.384 2.477 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263700478 464158746 /nfs/dbraw/zinc/15/87/46/464158746.db2.gz IMJXICNVWVMMFE-HNNXBMFYSA-N 0 3 349.431 2.458 20 5 EEBDHN C[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000237544037 464337900 /nfs/dbraw/zinc/33/79/00/464337900.db2.gz JIRIRVIZAPHDNB-SFHVURJKSA-N 0 3 347.415 2.497 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264658089 464411326 /nfs/dbraw/zinc/41/13/26/464411326.db2.gz YCCKQIHHOIVWIM-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186459 464452304 /nfs/dbraw/zinc/45/23/04/464452304.db2.gz PUPHCVRGPZMTID-GWCFXTLKSA-N 0 3 333.388 2.267 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294278580 464453879 /nfs/dbraw/zinc/45/38/79/464453879.db2.gz AVTPUHCJIRIWMT-CQSZACIVSA-N 0 3 347.415 2.406 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272258102 464539503 /nfs/dbraw/zinc/53/95/03/464539503.db2.gz AIFDWGUXKYNZSR-YVEFUNNKSA-N 0 3 344.415 2.335 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN[C@]2(CO)CCOc3ccccc32)cc1 ZINC000281694537 464550640 /nfs/dbraw/zinc/55/06/40/464550640.db2.gz NGSQFCLTCUUXFI-SFHVURJKSA-N 0 3 328.368 2.397 20 5 EEBDHN CCO[C@@H]1C[C@@](CO)(NCCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013675 464586641 /nfs/dbraw/zinc/58/66/41/464586641.db2.gz ORFOBWPFFFMVPS-WBVHZDCISA-N 0 3 338.404 2.129 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408595 464646962 /nfs/dbraw/zinc/64/69/62/464646962.db2.gz XVUGTLPWFCMIJE-SWLSCSKDSA-N 0 3 332.356 2.391 20 5 EEBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276307 464771975 /nfs/dbraw/zinc/77/19/75/464771975.db2.gz AZKPXSRDRNLLBU-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)Cc1ccccc1 ZINC000176608197 464810419 /nfs/dbraw/zinc/81/04/19/464810419.db2.gz IIGSBEUQCOLOLF-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)n1 ZINC000286148092 464819654 /nfs/dbraw/zinc/81/96/54/464819654.db2.gz AICHVUOERHCPEI-GFCCVEGCSA-N 0 3 334.376 2.205 20 5 EEBDHN Cc1cc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000348185524 465479874 /nfs/dbraw/zinc/47/98/74/465479874.db2.gz ZHTQGPDRRWJAAI-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183614987 464886658 /nfs/dbraw/zinc/88/66/58/464886658.db2.gz GDWPYPALBJRVJE-UHFFFAOYSA-N 0 3 329.360 2.373 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000177304980 464981430 /nfs/dbraw/zinc/98/14/30/464981430.db2.gz BDOXUCZWSUEMSZ-UHFFFAOYSA-N 0 3 331.376 2.108 20 5 EEBDHN CC[C@@H]1C[C@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387436 465340330 /nfs/dbraw/zinc/34/03/30/465340330.db2.gz GAUNSEZOWQTWFB-ZTFGCOKTSA-N 0 3 344.415 2.376 20 5 EEBDHN CC[C@@H]1C[C@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387433 465340441 /nfs/dbraw/zinc/34/04/41/465340441.db2.gz GAUNSEZOWQTWFB-FHLIZLRMSA-N 0 3 344.415 2.376 20 5 EEBDHN COC(=O)c1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1C ZINC000348349365 465562691 /nfs/dbraw/zinc/56/26/91/465562691.db2.gz KIGFOGGECGIQCA-UHFFFAOYSA-N 0 3 331.372 2.394 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299207061 465648312 /nfs/dbraw/zinc/64/83/12/465648312.db2.gz CVHKBLCFJMBZEA-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000344612838 465722330 /nfs/dbraw/zinc/72/23/30/465722330.db2.gz JRXSZFFVXQAKAV-CQSZACIVSA-N 0 3 349.387 2.174 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000362516366 465799679 /nfs/dbraw/zinc/79/96/79/465799679.db2.gz OXVMQLYEMGJILA-JPQUEUOBSA-N 0 3 336.388 2.018 20 5 EEBDHN CCCN1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301898685 466058022 /nfs/dbraw/zinc/05/80/22/466058022.db2.gz SKHHDPVLAIZKSD-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331432685 466081592 /nfs/dbraw/zinc/08/15/92/466081592.db2.gz JSFLUJRCIAKVBY-LSDHHAIUSA-N 0 3 347.415 2.227 20 5 EEBDHN CCC[C@@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346802111 466164132 /nfs/dbraw/zinc/16/41/32/466164132.db2.gz TVWTUUDCDYFHAL-OAHLLOKOSA-N 0 3 343.387 2.246 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354373968 466517752 /nfs/dbraw/zinc/51/77/52/466517752.db2.gz WOMNRDORAOUHNR-GFCCVEGCSA-N 0 3 338.383 2.310 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423986118 466937664 /nfs/dbraw/zinc/93/76/64/466937664.db2.gz VRNSVUHTWVINGL-KRWDZBQOSA-N 0 3 343.383 2.352 20 5 EEBDHN CN(C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420588364 467429736 /nfs/dbraw/zinc/42/97/36/467429736.db2.gz PZSOXTFKEKIIKZ-AWEZNQCLSA-N 0 3 342.399 2.279 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000453047019 467457530 /nfs/dbraw/zinc/45/75/30/467457530.db2.gz YXKCIWDRQHJJDH-RVKKMQEKSA-N 0 3 332.400 2.455 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448601598 467595324 /nfs/dbraw/zinc/59/53/24/467595324.db2.gz VQNLEZGRPHPRLY-CQSZACIVSA-N 0 3 343.387 2.199 20 5 EEBDHN CNc1nc(C(=O)N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455716046 467695890 /nfs/dbraw/zinc/69/58/90/467695890.db2.gz PGCHABIRRSQKML-UHFFFAOYSA-N 0 3 347.419 2.122 20 5 EEBDHN CCOc1cc(CN(C)C2(CCO)CCOCC2)ccc1[N+](=O)[O-] ZINC000492776097 467748664 /nfs/dbraw/zinc/74/86/64/467748664.db2.gz UGBOGZHTOAOTTL-UHFFFAOYSA-N 0 3 338.404 2.357 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[N+](=O)[O-] ZINC000493520739 467930201 /nfs/dbraw/zinc/93/02/01/467930201.db2.gz KFUCLXLMJHQDIK-HSBSLETESA-N 0 3 346.383 2.147 20 5 EEBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143986 467998647 /nfs/dbraw/zinc/99/86/47/467998647.db2.gz YVPVSJIOQHAPTM-AAEUAGOBSA-N 0 3 347.375 2.256 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@]1(C)CCO[C@@H]1C ZINC000494230437 468038589 /nfs/dbraw/zinc/03/85/89/468038589.db2.gz KFSFMXGLIHTSGP-USBNGQNGSA-N 0 3 337.376 2.088 20 5 EEBDHN CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1C ZINC000487947026 468062484 /nfs/dbraw/zinc/06/24/84/468062484.db2.gz KUPPGKQCIIEVFP-MRXNPFEDSA-N 0 3 335.404 2.233 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518814392 468128343 /nfs/dbraw/zinc/12/83/43/468128343.db2.gz FGUIOPCCISNLCM-RYUDHWBXSA-N 0 3 349.387 2.174 20 5 EEBDHN CN(CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567726087 468195338 /nfs/dbraw/zinc/19/53/38/468195338.db2.gz YOZUTKVJJSXQON-INIZCTEOSA-N 0 3 345.399 2.061 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594196773 468508282 /nfs/dbraw/zinc/50/82/82/468508282.db2.gz MLTAXERVIGMZAY-UONOGXRCSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594234476 468523639 /nfs/dbraw/zinc/52/36/39/468523639.db2.gz XJHQUKMSTKJFIM-DOTOQJQBSA-N 0 3 346.431 2.453 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598261089 468809726 /nfs/dbraw/zinc/80/97/26/468809726.db2.gz DTCGCZZAMHHVHK-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474541 468867576 /nfs/dbraw/zinc/86/75/76/468867576.db2.gz WMHBRZPOLGJZKI-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112221 468875264 /nfs/dbraw/zinc/87/52/64/468875264.db2.gz NHGLOROVSGBFHP-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598675990 468955146 /nfs/dbraw/zinc/95/51/46/468955146.db2.gz CBIMVFPHHSHXFC-CJNGLKHVSA-N 0 3 344.415 2.446 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CCCC3)C2)n1 ZINC000587972309 469097296 /nfs/dbraw/zinc/09/72/96/469097296.db2.gz KRAYUFZTIWVEKQ-NSHDSACASA-N 0 3 334.376 2.205 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602843320 469113062 /nfs/dbraw/zinc/11/30/62/469113062.db2.gz GMZBAJMYEDHGQP-OAHLLOKOSA-N 0 3 343.431 2.306 20 5 EEBDHN CSC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602922291 469166966 /nfs/dbraw/zinc/16/69/66/469166966.db2.gz GPFRKLSADYUQAP-LBPRGKRZSA-N 0 3 326.418 2.162 20 5 EEBDHN O=C(CCN[C@H]1CCCC(F)(F)[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000563139207 469181718 /nfs/dbraw/zinc/18/17/18/469181718.db2.gz WTIIFEDTYNLWNV-SMDDNHRTSA-N 0 3 343.330 2.062 20 5 EEBDHN CN1CCC2(CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000611263541 469213374 /nfs/dbraw/zinc/21/33/74/469213374.db2.gz TXYKKPXDEKOJLF-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN Cn1cc(CN2CCc3cn[nH]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611273651 469217891 /nfs/dbraw/zinc/21/78/91/469217891.db2.gz AYXQWPZBSFFEBP-UHFFFAOYSA-N 0 3 338.371 2.277 20 5 EEBDHN Cc1cc(NCC(=O)NCCN2CCCCCC2)c([N+](=O)[O-])s1 ZINC000596239882 469218384 /nfs/dbraw/zinc/21/83/84/469218384.db2.gz MZEAESMJRQYOJT-UHFFFAOYSA-N 0 3 340.449 2.369 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN(c2ccncc2)CC1 ZINC000603083926 469254992 /nfs/dbraw/zinc/25/49/92/469254992.db2.gz PBXHCMDGVVCAOG-UHFFFAOYSA-N 0 3 332.385 2.404 20 5 EEBDHN COC(=O)C1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000604433499 469478993 /nfs/dbraw/zinc/47/89/93/469478993.db2.gz PCYHJADUUKUMCR-UHFFFAOYSA-N 0 3 327.406 2.343 20 5 EEBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451717719 534909823 /nfs/dbraw/zinc/90/98/23/534909823.db2.gz CKAXWZDBRVQRKC-NSHDSACASA-N 0 3 339.367 2.347 20 5 EEBDHN CCOC(=O)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153732449 528683680 /nfs/dbraw/zinc/68/36/80/528683680.db2.gz FNKIFNJOKXPDQE-MRXNPFEDSA-N 0 3 336.388 2.293 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179496320 528892212 /nfs/dbraw/zinc/89/22/12/528892212.db2.gz OERAQEWADZRDDX-UHFFFAOYSA-N 0 3 332.404 2.417 20 5 EEBDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191853506 528969832 /nfs/dbraw/zinc/96/98/32/528969832.db2.gz WDVMINXWQZMRDV-AWEZNQCLSA-N 0 3 335.360 2.430 20 5 EEBDHN CCc1nn(C)cc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578664 535829675 /nfs/dbraw/zinc/82/96/75/535829675.db2.gz GIYQSQWXHLORFX-LSDHHAIUSA-N 0 3 332.408 2.361 20 5 EEBDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000446668674 536012847 /nfs/dbraw/zinc/01/28/47/536012847.db2.gz VOWODUVGDXICOO-UHFFFAOYSA-N 0 3 342.355 2.234 20 5 EEBDHN COc1ccc([C@H](CO)CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000459767794 536921159 /nfs/dbraw/zinc/92/11/59/536921159.db2.gz YCAROQLITCIBRP-HNNXBMFYSA-N 0 3 346.383 2.478 20 5 EEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771507759 577216287 /nfs/dbraw/zinc/21/62/87/577216287.db2.gz AETIOYQOAIGUSS-NSHDSACASA-N 0 3 349.416 2.156 20 5 EEBDHN CCCCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773006984 577310044 /nfs/dbraw/zinc/31/00/44/577310044.db2.gz DKWFBRFSMCVFEN-CYBMUJFWSA-N 0 3 343.449 2.432 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735371 577485606 /nfs/dbraw/zinc/48/56/06/577485606.db2.gz JGCJEHLSMPLUDY-ZWKOTPCHSA-N 0 3 346.358 2.361 20 5 EEBDHN COc1cccc2c1OC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001061 577655758 /nfs/dbraw/zinc/65/57/58/577655758.db2.gz YFHBIYGZZCZLGN-GOEBONIOSA-N 0 3 344.367 2.230 20 5 EEBDHN COc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1OC ZINC000749673398 577979666 /nfs/dbraw/zinc/97/96/66/577979666.db2.gz FSTSJRMVRWEGMN-HNNXBMFYSA-N 0 3 332.356 2.435 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)ccn1 ZINC001020783387 675492742 /nfs/dbraw/zinc/49/27/42/675492742.db2.gz IGQDLLLRUOCSQT-WKILWMFISA-N 0 3 340.383 2.349 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000891907695 676899082 /nfs/dbraw/zinc/89/90/82/676899082.db2.gz SRWGVXOKUCJJND-CYBMUJFWSA-N 0 3 342.399 2.496 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001022447160 677712964 /nfs/dbraw/zinc/71/29/64/677712964.db2.gz DQYPLQQMBUKOPU-BETUJISGSA-N 0 3 332.335 2.113 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934575864 678542546 /nfs/dbraw/zinc/54/25/46/678542546.db2.gz OQYPFQNRQGOHAA-HSHDSVGOSA-N 0 3 329.400 2.297 20 5 EEBDHN CSCC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000934668009 678674056 /nfs/dbraw/zinc/67/40/56/678674056.db2.gz QUIXCKBKNBHTPY-UHFFFAOYSA-N 0 3 332.447 2.100 20 5 EEBDHN O=C(Cc1cc(F)ccc1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133034036 1200358936 /nfs/dbraw/zinc/35/89/36/1200358936.db2.gz YPACZPFOJPTJSP-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000878697258 1200625219 /nfs/dbraw/zinc/62/52/19/1200625219.db2.gz COYUJVPKMHMLTM-MRXNPFEDSA-N 0 3 338.408 2.153 20 5 EEBDHN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@H](O)c1cccc(O)c1 ZINC001170674754 1200634349 /nfs/dbraw/zinc/63/43/49/1200634349.db2.gz CONOSIYGYNDEFQ-BTDLBPIBSA-N 0 3 329.356 2.438 20 5 EEBDHN CC(COC(=O)c1nc(NCc2ccco2)ncc1Cl)[N+](=O)[O-] ZINC000813107474 1201118539 /nfs/dbraw/zinc/11/85/39/1201118539.db2.gz OHUDMRQRCHGRNY-MRVPVSSYSA-N 0 3 340.723 2.157 20 5 EEBDHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])n2)n1 ZINC000813111170 1201122654 /nfs/dbraw/zinc/12/26/54/1201122654.db2.gz PNYFVYYCLDTHNK-SNVBAGLBSA-N 0 3 338.751 2.360 20 5 EEBDHN COC(=O)CC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040784 1201360280 /nfs/dbraw/zinc/36/02/80/1201360280.db2.gz KBXYEJGLMRAMHV-BBRMVZONSA-N 0 3 336.388 2.293 20 5 EEBDHN CN1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866213846 1201467869 /nfs/dbraw/zinc/46/78/69/1201467869.db2.gz AELDPTFRNNIBFI-UHFFFAOYSA-N 0 3 340.374 2.089 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777794877 1206487132 /nfs/dbraw/zinc/48/71/32/1206487132.db2.gz DBPDTRRDJLUAJN-SNVBAGLBSA-N 0 3 349.416 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccn2)C2CC2)c1 ZINC000932375116 1207593485 /nfs/dbraw/zinc/59/34/85/1207593485.db2.gz JSNDPTBZOQDKKW-QAPCUYQASA-N 0 3 343.383 2.470 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932382249 1207594534 /nfs/dbraw/zinc/59/45/34/1207594534.db2.gz IAPJQPAEVQUZDQ-RDTXWAMCSA-N 0 3 343.383 2.470 20 5 EEBDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495340 1207616575 /nfs/dbraw/zinc/61/65/75/1207616575.db2.gz ZZLDLACEENTGEN-VYUIOLGVSA-N 0 3 327.768 2.200 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001020011561 1229440009 /nfs/dbraw/zinc/44/00/09/1229440009.db2.gz ZUENTQCCLDRAKL-HAQNSBGRSA-N 0 3 332.385 2.102 20 5 EEBDHN Cc1nscc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020090155 1229479197 /nfs/dbraw/zinc/47/91/97/1229479197.db2.gz ANDYVMRLFIBCNL-JOCQHMNTSA-N 0 3 346.412 2.410 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097231103 1243857401 /nfs/dbraw/zinc/85/74/01/1243857401.db2.gz ODESLOUTBWHLRQ-BETUJISGSA-N 0 3 334.420 2.384 20 5 EEBDHN CCCN(CCNC(=O)CN(CC)CC)c1ccccc1[N+](=O)[O-] ZINC001101152026 1245455008 /nfs/dbraw/zinc/45/50/08/1245455008.db2.gz LMNJYAXNHLJSCH-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626972 1278154531 /nfs/dbraw/zinc/15/45/31/1278154531.db2.gz PQZRCKMKJIBZAQ-NCAQKEMTSA-N 0 3 329.356 2.322 20 5 EEBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000780855626 1276602579 /nfs/dbraw/zinc/60/25/79/1276602579.db2.gz KEYASIKKGONTHQ-UHFFFAOYSA-N 0 3 349.840 2.257 20 5 EEBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000780855626 1276602607 /nfs/dbraw/zinc/60/26/07/1276602607.db2.gz KEYASIKKGONTHQ-UHFFFAOYSA-N 0 3 349.840 2.257 20 5 EEBDHN Cc1sccc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134841472 1278044549 /nfs/dbraw/zinc/04/45/49/1278044549.db2.gz JRUBIVTVLXNOSC-UHFFFAOYSA-N 0 3 333.413 2.413 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103886 1315476520 /nfs/dbraw/zinc/47/65/20/1315476520.db2.gz RUNIYILDEGOWHX-LDYMZIIASA-N 0 3 342.783 2.483 20 5 EEBDHN COCc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001150635999 1316323425 /nfs/dbraw/zinc/32/34/25/1316323425.db2.gz OUYXYOBOUKYOKP-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN O=[N+]([O-])c1c(Cl)ccnc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154848176 1317349431 /nfs/dbraw/zinc/34/94/31/1317349431.db2.gz SPRDRHKEFFQLBC-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC001156523871 1318053278 /nfs/dbraw/zinc/05/32/78/1318053278.db2.gz WUKYRRZXBFEQDP-MRXNPFEDSA-N 0 3 328.372 2.477 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](Oc3ncccn3)C1)C2 ZINC001254606587 1318142262 /nfs/dbraw/zinc/14/22/62/1318142262.db2.gz GRUNVOFYSKVLSS-HZPDHXFCSA-N 0 3 326.356 2.005 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1C=CC=CC=C1 ZINC001159026834 1319565391 /nfs/dbraw/zinc/56/53/91/1319565391.db2.gz PEMUQXKIQMXIMM-UHFFFAOYSA-N 0 3 327.384 2.489 20 5 EEBDHN COCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001159394336 1319778050 /nfs/dbraw/zinc/77/80/50/1319778050.db2.gz UFHBMQMDJKPYKF-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160338133 1320137834 /nfs/dbraw/zinc/13/78/34/1320137834.db2.gz RJHLRKCCSNNHFO-UHFFFAOYSA-N 0 3 347.338 2.244 20 5 EEBDHN CCOc1nc(-n2nc(-c3ccncc3)cc2CN)ccc1[N+](=O)[O-] ZINC001160338540 1320138495 /nfs/dbraw/zinc/13/84/95/1320138495.db2.gz BKDCGKWCKJDIKE-UHFFFAOYSA-N 0 3 340.343 2.095 20 5 EEBDHN CCc1cccnc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161518698 1320524657 /nfs/dbraw/zinc/52/46/57/1320524657.db2.gz NRXPTOMDNWSQKD-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN CN1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203574964 1321915348 /nfs/dbraw/zinc/91/53/48/1321915348.db2.gz UPKNKNXVIWNLDR-UHFFFAOYSA-N 0 3 327.388 2.481 20 5 EEBDHN CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001263416175 1322477851 /nfs/dbraw/zinc/47/78/51/1322477851.db2.gz YTWTWECRWZFZLU-CQSZACIVSA-N 0 3 338.456 2.050 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609095836 1351840939 /nfs/dbraw/zinc/84/09/39/1351840939.db2.gz SFULMOHYFABCIG-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609095836 1351840943 /nfs/dbraw/zinc/84/09/43/1351840943.db2.gz SFULMOHYFABCIG-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609095836 1351840946 /nfs/dbraw/zinc/84/09/46/1351840946.db2.gz SFULMOHYFABCIG-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609095836 1351840949 /nfs/dbraw/zinc/84/09/49/1351840949.db2.gz SFULMOHYFABCIG-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN O=C(c1cc2c(s1)CCNC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327918319 1334363662 /nfs/dbraw/zinc/36/36/62/1334363662.db2.gz OOOHEEVIWKPRBM-UHFFFAOYSA-N 0 3 329.381 2.458 20 5 EEBDHN Cc1cc(N[C@H](C)[C@@H]2CN(C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266264 1338475957 /nfs/dbraw/zinc/47/59/57/1338475957.db2.gz JEEUNPSJGFFSHW-DYVFJYSZSA-N 0 3 343.431 2.498 20 5 EEBDHN CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCC1 ZINC001603150628 1350650799 /nfs/dbraw/zinc/65/07/99/1350650799.db2.gz HOUPDHQQBVELIY-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC001603150628 1350650803 /nfs/dbraw/zinc/65/08/03/1350650803.db2.gz HOUPDHQQBVELIY-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)CN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853488552 1369339413 /nfs/dbraw/zinc/33/94/13/1369339413.db2.gz KFFMKHLYWXMNLJ-UHFFFAOYSA-N 0 3 344.419 2.084 20 5 EEBDHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccon1 ZINC001752244652 1406241236 /nfs/dbraw/zinc/24/12/36/1406241236.db2.gz ZZFHIZTTYZYQKL-UHFFFAOYSA-N 0 3 344.371 2.367 20 5 EEBDHN CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590495608 1403880788 /nfs/dbraw/zinc/88/07/88/1403880788.db2.gz FNUSPPAZWUZKDT-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590495608 1403880798 /nfs/dbraw/zinc/88/07/98/1403880798.db2.gz FNUSPPAZWUZKDT-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918625013 769267316 /nfs/dbraw/zinc/26/73/16/769267316.db2.gz HANOGLWGXRYZGT-UHFFFAOYSA-N 0 3 330.388 2.169 20 5 EEBDHN CCCn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001135712517 784282895 /nfs/dbraw/zinc/28/28/95/784282895.db2.gz YCOZPQJYPIEVDT-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN CN(CCOC(=O)C1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000805867634 788198961 /nfs/dbraw/zinc/19/89/61/788198961.db2.gz NEUQIKUKIYAMPX-UHFFFAOYSA-N 0 3 347.415 2.449 20 5 EEBDHN CCCc1onc(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127112754 789335104 /nfs/dbraw/zinc/33/51/04/789335104.db2.gz WZCUPAIRBJXHBL-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN CC[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595674 793868573 /nfs/dbraw/zinc/86/85/73/793868573.db2.gz KOGASQNNWGSFCL-LLVKDONJSA-N 0 3 340.181 2.407 20 5 EEBDHN CN1CCC(O)(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001182032194 801003058 /nfs/dbraw/zinc/00/30/58/801003058.db2.gz BHTISPWXHVWXMA-UHFFFAOYSA-N 0 3 336.395 2.178 20 5 EEBDHN CN(CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)CC(C)(C)C ZINC001110357619 802345654 /nfs/dbraw/zinc/34/56/54/802345654.db2.gz AUXYSSGGSSQBKL-UHFFFAOYSA-N 0 3 349.435 2.028 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006577 803567915 /nfs/dbraw/zinc/56/79/15/803567915.db2.gz IKXBXKAPSVPENY-ZIAGYGMSSA-N 0 3 330.388 2.395 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170352350 809901327 /nfs/dbraw/zinc/90/13/27/809901327.db2.gz MHAHVSOFWBBVRD-CYBMUJFWSA-N 0 3 349.431 2.477 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccnc(C2CC2)c1 ZINC001130877170 812141698 /nfs/dbraw/zinc/14/16/98/812141698.db2.gz LFSXYVOPQJRPOP-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN Cc1cncc(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131296777 812621842 /nfs/dbraw/zinc/62/18/42/812621842.db2.gz ZWKLGESKJWIUGW-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186773552 529902606 /nfs/dbraw/zinc/90/26/06/529902606.db2.gz GJDKPYPKASHXJZ-UHFFFAOYSA-N 0 3 340.811 2.213 20 5 EEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(CO)CC1 ZINC000186784957 529938603 /nfs/dbraw/zinc/93/86/03/529938603.db2.gz OSXQBZZWSPNOOW-UHFFFAOYSA-N 0 3 331.372 2.497 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1CN1CCCC1 ZINC000181168884 234103634 /nfs/dbraw/zinc/10/36/34/234103634.db2.gz ZHNGUWIYYIEXBH-ZDUSSCGKSA-N 0 3 347.371 2.024 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000492334539 283061384 /nfs/dbraw/zinc/06/13/84/283061384.db2.gz BVGRETMLZFDSIV-ILVPNPQQSA-N 0 3 333.363 2.300 20 5 EEBDHN C[C@H](C[C@H]1COCCN1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087509 240359566 /nfs/dbraw/zinc/35/95/66/240359566.db2.gz OIFNCSDQKOEBLW-MFKMUULPSA-N 0 3 347.337 2.470 20 5 EEBDHN O=[N+]([O-])c1c(NCCCN2CCC(O)CC2)ccc2ncccc21 ZINC000112075169 220239768 /nfs/dbraw/zinc/23/97/68/220239768.db2.gz WSRMYRCKFSEZIV-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264675789 246767737 /nfs/dbraw/zinc/76/77/37/246767737.db2.gz NLMYFHMRKIGZDY-NEPJUHHUSA-N 0 3 337.424 2.121 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C2CCC2)CC1 ZINC000265131543 247233206 /nfs/dbraw/zinc/23/32/06/247233206.db2.gz NFCLKXLGHDWTFI-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN CC(COC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000496217250 247387293 /nfs/dbraw/zinc/38/72/93/247387293.db2.gz PDIODIPKDQDPDM-JTQLQIEISA-N 0 3 339.348 2.180 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000267863924 256092488 /nfs/dbraw/zinc/09/24/88/256092488.db2.gz BCEPWZNEJVFYNZ-OCCSQVGLSA-N 0 3 332.404 2.062 20 5 EEBDHN CC[C@@H](CO)NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000276007418 256395122 /nfs/dbraw/zinc/39/51/22/256395122.db2.gz PGHPTVFKGRBFGZ-JTQLQIEISA-N 0 3 334.319 2.108 20 5 EEBDHN CCOCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274129006 256356402 /nfs/dbraw/zinc/35/64/02/256356402.db2.gz VYIADIIFNIKYAC-UHFFFAOYSA-N 0 3 333.392 2.020 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000077639438 292189478 /nfs/dbraw/zinc/18/94/78/292189478.db2.gz ISCAMKGYYVUHOO-AWEZNQCLSA-N 0 3 335.404 2.212 20 5 EEBDHN COc1cc(CN2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236728 154098821 /nfs/dbraw/zinc/09/88/21/154098821.db2.gz GHJGLRAQMLNAJI-STQMWFEESA-N 0 3 336.388 2.470 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000194655711 160197664 /nfs/dbraw/zinc/19/76/64/160197664.db2.gz AZLYGVBKVPOPOU-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN COCCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000194957478 160203035 /nfs/dbraw/zinc/20/30/35/160203035.db2.gz PKVJCJPURYPLTO-UHFFFAOYSA-N 0 3 348.403 2.002 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000341679192 161004935 /nfs/dbraw/zinc/00/49/35/161004935.db2.gz AZXGJWDZGISHDU-CYBMUJFWSA-N 0 3 328.434 2.330 20 5 EEBDHN COc1ccc(-c2ccc(CN[C@H](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000345829513 161335710 /nfs/dbraw/zinc/33/57/10/161335710.db2.gz YRRRZMRVDCHZQT-SNVBAGLBSA-N 0 3 333.344 2.217 20 5 EEBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000368245560 166075337 /nfs/dbraw/zinc/07/53/37/166075337.db2.gz VDVXPGHYNHOLTA-MRXNPFEDSA-N 0 3 343.387 2.375 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369414955 166256648 /nfs/dbraw/zinc/25/66/48/166256648.db2.gz YQGMCRYSAXSITK-QGZVFWFLSA-N 0 3 332.448 2.195 20 5 EEBDHN CCN1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157410850 292567987 /nfs/dbraw/zinc/56/79/87/292567987.db2.gz VMGRUPMYYUIROD-UHFFFAOYSA-N 0 3 329.404 2.133 20 5 EEBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122506796 222102164 /nfs/dbraw/zinc/10/21/64/222102164.db2.gz DESKMUSDKJKHFJ-UHFFFAOYSA-N 0 3 330.182 2.039 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122658221 222133007 /nfs/dbraw/zinc/13/30/07/222133007.db2.gz NEHCPMNZLIBRDL-BDAKNGLRSA-N 0 3 342.193 2.180 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCN(C)C1 ZINC000279621228 269295041 /nfs/dbraw/zinc/29/50/41/269295041.db2.gz YJLKFNQXJVXQDA-VIFPVBQESA-N 0 3 327.768 2.398 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1N(C)C ZINC000271387628 274127883 /nfs/dbraw/zinc/12/78/83/274127883.db2.gz BXBYATHBJBSWGS-GJZGRUSLSA-N 0 3 348.428 2.194 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272508786 274174401 /nfs/dbraw/zinc/17/44/01/274174401.db2.gz YEUIKZIWQGTCCI-CYBMUJFWSA-N 0 3 340.811 2.184 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274740046 274219610 /nfs/dbraw/zinc/21/96/10/274219610.db2.gz VLULSBZFVIQZTO-IINYFYTJSA-N 0 3 331.376 2.048 20 5 EEBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235061 274457734 /nfs/dbraw/zinc/45/77/34/274457734.db2.gz JLSONIWPZOABDL-GWCFXTLKSA-N 0 3 341.795 2.327 20 5 EEBDHN O=C1[C@H](N[C@@H]2CCC[C@H]3OCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757709 275030722 /nfs/dbraw/zinc/03/07/22/275030722.db2.gz FPVYDASFGWSRKT-YLFCFFPRSA-N 0 3 345.399 2.247 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC000291628953 275324633 /nfs/dbraw/zinc/32/46/33/275324633.db2.gz BLDFAWRCWSRTNW-LBPRGKRZSA-N 0 3 348.403 2.087 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194739983 277062149 /nfs/dbraw/zinc/06/21/49/277062149.db2.gz FIKIFFPOGUHKBE-OAHLLOKOSA-N 0 3 346.431 2.022 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743646 280246330 /nfs/dbraw/zinc/24/63/30/280246330.db2.gz NXWYDAYZAWNHKD-GJZGRUSLSA-N 0 3 346.431 2.400 20 5 EEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009819 292882729 /nfs/dbraw/zinc/88/27/29/292882729.db2.gz GFVKVIREFIXMGK-RYUDHWBXSA-N 0 3 337.376 2.019 20 5 EEBDHN CN(C)C(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295074802 293607684 /nfs/dbraw/zinc/60/76/84/293607684.db2.gz DIVOFPXNWXCHQY-OAHLLOKOSA-N 0 3 335.404 2.009 20 5 EEBDHN CCOC1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298219849 294447836 /nfs/dbraw/zinc/44/78/36/294447836.db2.gz FVCBHGJDBCZXFR-OAHLLOKOSA-N 0 3 338.404 2.226 20 5 EEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCN1C ZINC000421015796 314026022 /nfs/dbraw/zinc/02/60/22/314026022.db2.gz XPJHJNCJIALXQA-LBPRGKRZSA-N 0 3 340.811 2.213 20 5 EEBDHN CON1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421401997 314097233 /nfs/dbraw/zinc/09/72/33/314097233.db2.gz VDGUBWXBNUMRJF-UHFFFAOYSA-N 0 3 331.319 2.312 20 5 EEBDHN COC(=O)[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000425248574 314365794 /nfs/dbraw/zinc/36/57/94/314365794.db2.gz ABAQPGUPSNMBHS-BDJLRTHQSA-N 0 3 345.355 2.218 20 5 EEBDHN COc1cccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000444401274 315299391 /nfs/dbraw/zinc/29/93/91/315299391.db2.gz BHVXFPREKUCTMY-CYBMUJFWSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)c2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000577885706 320282568 /nfs/dbraw/zinc/28/25/68/320282568.db2.gz RBLUBCKNKWKKBO-CYBMUJFWSA-N 0 3 345.403 2.152 20 5 EEBDHN CC(F)(F)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578996225 323753653 /nfs/dbraw/zinc/75/36/53/323753653.db2.gz IOPLLTVRQFFWEJ-AWEZNQCLSA-N 0 3 340.330 2.054 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577813 465101389 /nfs/dbraw/zinc/10/13/89/465101389.db2.gz GSQKRAQHIGRFIZ-CVEARBPZSA-N 0 3 343.431 2.386 20 5 EEBDHN CO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264531 465134919 /nfs/dbraw/zinc/13/49/19/465134919.db2.gz YLYDTGXEIYGKOI-HOCLYGCPSA-N 0 3 338.404 2.081 20 5 EEBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000127822720 462586677 /nfs/dbraw/zinc/58/66/77/462586677.db2.gz BWZNLCFFQGHRCR-KRWDZBQOSA-N 0 3 329.400 2.354 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000133651651 462955893 /nfs/dbraw/zinc/95/58/93/462955893.db2.gz YNVGBVRTPFUWNE-LBPRGKRZSA-N 0 3 336.392 2.310 20 5 EEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092606272 462964923 /nfs/dbraw/zinc/96/49/23/462964923.db2.gz ONTAIBPHGIEYES-UHFFFAOYSA-N 0 3 344.362 2.246 20 5 EEBDHN CN(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016222732 462972502 /nfs/dbraw/zinc/97/25/02/462972502.db2.gz ZTQBGCMVUGILLL-KRWDZBQOSA-N 0 3 343.383 2.393 20 5 EEBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000050573899 463001370 /nfs/dbraw/zinc/00/13/70/463001370.db2.gz QBSOIJVWYKUECW-JTQLQIEISA-N 0 3 334.401 2.398 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094069735 463057072 /nfs/dbraw/zinc/05/70/72/463057072.db2.gz IQZUGRULKUSYKD-HUUCEWRRSA-N 0 3 347.415 2.113 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590776547 468336385 /nfs/dbraw/zinc/33/63/85/468336385.db2.gz YCTITYOHLDTOPH-RNCFNFMXSA-N 0 3 343.305 2.390 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000068135024 463097168 /nfs/dbraw/zinc/09/71/68/463097168.db2.gz QOVBVRUHBGXANW-INIZCTEOSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C ZINC000043085836 463618930 /nfs/dbraw/zinc/61/89/30/463618930.db2.gz CYDYHXBYAJUJMQ-NEPJUHHUSA-N 0 3 345.403 2.464 20 5 EEBDHN Cc1nn(C)c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151955180 463621599 /nfs/dbraw/zinc/62/15/99/463621599.db2.gz AYYBRFYOEMDDIA-AWEZNQCLSA-N 0 3 345.403 2.190 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287294994 463860629 /nfs/dbraw/zinc/86/06/29/463860629.db2.gz UYSUGZNIBLJQLL-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000194935638 463962056 /nfs/dbraw/zinc/96/20/56/463962056.db2.gz VTYGUPOYGZCQMN-KRWDZBQOSA-N 0 3 335.404 2.475 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)o1 ZINC000263824258 464206209 /nfs/dbraw/zinc/20/62/09/464206209.db2.gz RMXGIQYLJFUJMA-ZDUSSCGKSA-N 0 3 332.360 2.391 20 5 EEBDHN CN(CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000264206693 464290045 /nfs/dbraw/zinc/29/00/45/464290045.db2.gz FHQCOGDPOPCJSE-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN CNC(=O)[C@@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292696020 464311022 /nfs/dbraw/zinc/31/10/22/464311022.db2.gz CVUQGPDZZCOKEQ-VIFPVBQESA-N 0 3 333.310 2.428 20 5 EEBDHN CSc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281213208 464373579 /nfs/dbraw/zinc/37/35/79/464373579.db2.gz BGQLVRDUQQMEOH-BXUZGUMPSA-N 0 3 336.417 2.225 20 5 EEBDHN CN1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000272190811 464512174 /nfs/dbraw/zinc/51/21/74/464512174.db2.gz MIXYRZCDGHENOO-MEDUHNTESA-N 0 3 330.388 2.010 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000281754863 464574055 /nfs/dbraw/zinc/57/40/55/464574055.db2.gz RFOPWZRRSSIOOI-RTBURBONSA-N 0 3 342.395 2.442 20 5 EEBDHN CCOC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182246839 464609803 /nfs/dbraw/zinc/60/98/03/464609803.db2.gz GGLVZAUHKZEUGD-GJZGRUSLSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1n[nH]c(C2CC2)n1 ZINC000294871979 464633214 /nfs/dbraw/zinc/63/32/14/464633214.db2.gz UUQRGKXJFSBWCI-SNVBAGLBSA-N 0 3 344.375 2.097 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](COc2ccccc2)C1 ZINC000272519054 464641681 /nfs/dbraw/zinc/64/16/81/464641681.db2.gz HBMSZLFSCLSHLK-OAHLLOKOSA-N 0 3 343.383 2.157 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850673 464718425 /nfs/dbraw/zinc/71/84/25/464718425.db2.gz PHRCQEDLPXSCRC-DZGCQCFKSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000295433855 464831694 /nfs/dbraw/zinc/83/16/94/464831694.db2.gz VDAQEVUJLNYPNS-GFCCVEGCSA-N 0 3 347.415 2.468 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330588524 465718644 /nfs/dbraw/zinc/71/86/44/465718644.db2.gz UJIAVYUGCGFBEY-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1ccc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350072 465734241 /nfs/dbraw/zinc/73/42/41/465734241.db2.gz PIVDPROPVSYCKZ-CVEARBPZSA-N 0 3 332.448 2.365 20 5 EEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000362543730 465818518 /nfs/dbraw/zinc/81/85/18/465818518.db2.gz VYZTXJLXDYGFMP-SUMWQHHRSA-N 0 3 346.431 2.391 20 5 EEBDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000340213851 465883981 /nfs/dbraw/zinc/88/39/81/465883981.db2.gz WFRAGVJTSXIMSQ-UHFFFAOYSA-N 0 3 341.433 2.138 20 5 EEBDHN CC(C)N(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000345990186 465921548 /nfs/dbraw/zinc/92/15/48/465921548.db2.gz IWHUSTWZWJFDQR-UHFFFAOYSA-N 0 3 349.435 2.299 20 5 EEBDHN C[C@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312880 468470932 /nfs/dbraw/zinc/47/09/32/468470932.db2.gz GWXRKGOLWCIJBD-LRDDRELGSA-N 0 3 337.445 2.252 20 5 EEBDHN CC[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027432 466395414 /nfs/dbraw/zinc/39/54/14/466395414.db2.gz RLHQVZPDKSCICX-DZGCQCFKSA-N 0 3 341.433 2.060 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN([C@H](C)CO)CC1 ZINC000347289347 466539672 /nfs/dbraw/zinc/53/96/72/466539672.db2.gz QXXQUVJVTCYOMC-UVQBRAAOSA-N 0 3 333.432 2.387 20 5 EEBDHN Cn1ccnc1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631705 466888078 /nfs/dbraw/zinc/88/80/78/466888078.db2.gz AFULTYGUKFHVCK-GDBMZVCRSA-N 0 3 330.388 2.241 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423985750 466937159 /nfs/dbraw/zinc/93/71/59/466937159.db2.gz VLPXOLJJNMTSRD-HNNXBMFYSA-N 0 3 343.383 2.352 20 5 EEBDHN CCOc1cc(CN2CC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000412024001 466969692 /nfs/dbraw/zinc/96/96/92/466969692.db2.gz AYEKPGAVBPRDMZ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1cc(CN2CC[C@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412024001 466969694 /nfs/dbraw/zinc/96/96/94/466969694.db2.gz AYEKPGAVBPRDMZ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1cc(CN2CC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412024001 466969696 /nfs/dbraw/zinc/96/96/96/466969696.db2.gz AYEKPGAVBPRDMZ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000412380117 467077617 /nfs/dbraw/zinc/07/76/17/467077617.db2.gz QGAVCTDRZPMCKW-HNNXBMFYSA-N 0 3 342.355 2.497 20 5 EEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000378304615 467257446 /nfs/dbraw/zinc/25/74/46/467257446.db2.gz HOHPANWRPGEEIX-DLBZAZTESA-N 0 3 339.395 2.351 20 5 EEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476807 467419659 /nfs/dbraw/zinc/41/96/59/467419659.db2.gz YVXRIGWXRSUTLO-ZJUUUORDSA-N 0 3 347.824 2.044 20 5 EEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476806 467419972 /nfs/dbraw/zinc/41/99/72/467419972.db2.gz YVXRIGWXRSUTLO-VHSXEESVSA-N 0 3 347.824 2.044 20 5 EEBDHN Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1CN(C)C ZINC000458284704 467803477 /nfs/dbraw/zinc/80/34/77/467803477.db2.gz NKMKDXUPYDAPND-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494204373 468036791 /nfs/dbraw/zinc/03/67/91/468036791.db2.gz JDKCRBGFWMHULT-BDJLRTHQSA-N 0 3 337.376 2.089 20 5 EEBDHN C[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CN1C1CC1 ZINC000516943393 468057821 /nfs/dbraw/zinc/05/78/21/468057821.db2.gz YJVDXFCBSYNLPM-UWVGGRQHSA-N 0 3 329.360 2.281 20 5 EEBDHN CN(C)C(=O)c1ccccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000520203949 468233376 /nfs/dbraw/zinc/23/33/76/468233376.db2.gz UQQUVAMZSPGEND-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000582831779 468601579 /nfs/dbraw/zinc/60/15/79/468601579.db2.gz GSEJFRNJCIUCQV-IXDOHACOSA-N 0 3 329.400 2.395 20 5 EEBDHN Cn1ccnc1[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542092 468744467 /nfs/dbraw/zinc/74/44/67/468744467.db2.gz OATZGLAJAWMQTF-CYBMUJFWSA-N 0 3 343.387 2.146 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595484363 468872121 /nfs/dbraw/zinc/87/21/21/468872121.db2.gz ZOEMHMJLBGVPHY-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN CC(C)(CO)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000610575759 469007311 /nfs/dbraw/zinc/00/73/11/469007311.db2.gz MJNKJJUDELHETB-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCN1CCC(O)CC1 ZINC000602682061 469007737 /nfs/dbraw/zinc/00/77/37/469007737.db2.gz QELVPBMYJBJSIG-UHFFFAOYSA-N 0 3 347.337 2.160 20 5 EEBDHN O=C1CCCC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595806980 469022039 /nfs/dbraw/zinc/02/20/39/469022039.db2.gz NWNLDCPIRUNGEB-OAHLLOKOSA-N 0 3 348.399 2.170 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000602790590 469075816 /nfs/dbraw/zinc/07/58/16/469075816.db2.gz LYXHEPRYUGYDOY-QGZVFWFLSA-N 0 3 344.415 2.472 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000602797656 469082628 /nfs/dbraw/zinc/08/26/28/469082628.db2.gz NPEUSLGDMKTSKT-HOCLYGCPSA-N 0 3 333.436 2.048 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593729680 469112720 /nfs/dbraw/zinc/11/27/20/469112720.db2.gz IFZCAUPRTLYTLK-KRWDZBQOSA-N 0 3 335.379 2.221 20 5 EEBDHN Cc1cc(C)c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000562999736 469130235 /nfs/dbraw/zinc/13/02/35/469130235.db2.gz DOXOLCPFBAWVHF-MRXNPFEDSA-N 0 3 331.372 2.136 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588365274 469143559 /nfs/dbraw/zinc/14/35/59/469143559.db2.gz LQEOACBVJNLZBS-HNNXBMFYSA-N 0 3 334.420 2.263 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602953309 469187391 /nfs/dbraw/zinc/18/73/91/469187391.db2.gz AAYTUPCPSDAPDJ-UHFFFAOYSA-N 0 3 335.408 2.058 20 5 EEBDHN COCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515125 469268916 /nfs/dbraw/zinc/26/89/16/469268916.db2.gz HSZNDFJANANVRC-CQSZACIVSA-N 0 3 349.431 2.439 20 5 EEBDHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388425 469700635 /nfs/dbraw/zinc/70/06/35/469700635.db2.gz ABVDEMWEDBKVNH-BBRMVZONSA-N 0 3 343.383 2.288 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000160030113 528247142 /nfs/dbraw/zinc/24/71/42/528247142.db2.gz FMMTVCKQTWCRIK-NSHDSACASA-N 0 3 337.405 2.192 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000160030113 528247145 /nfs/dbraw/zinc/24/71/45/528247145.db2.gz FMMTVCKQTWCRIK-NSHDSACASA-N 0 3 337.405 2.192 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419104 535987292 /nfs/dbraw/zinc/98/72/92/535987292.db2.gz NDXGFZIPFASGCD-ZACQAIPSSA-N 0 3 347.415 2.183 20 5 EEBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771793193 577230186 /nfs/dbraw/zinc/23/01/86/577230186.db2.gz IXNQWMYOTRTJRD-LLVKDONJSA-N 0 3 329.784 2.183 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(NC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000765290016 577498668 /nfs/dbraw/zinc/49/86/68/577498668.db2.gz GAWLQFNZEWBIAD-ZDUSSCGKSA-N 0 3 333.310 2.076 20 5 EEBDHN COc1cc(OCC(=O)OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000770359105 577594537 /nfs/dbraw/zinc/59/45/37/577594537.db2.gz PBFNBRFAVGTXQT-UHFFFAOYSA-N 0 3 338.360 2.011 20 5 EEBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169953 577821101 /nfs/dbraw/zinc/82/11/01/577821101.db2.gz PBUPZDPZXDXZJP-XPTSAGLGSA-N 0 3 327.768 2.344 20 5 EEBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724990 578123070 /nfs/dbraw/zinc/12/30/70/578123070.db2.gz PIGWXGPRSLHUEO-KOLCDFICSA-N 0 3 336.348 2.024 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821599428 599061481 /nfs/dbraw/zinc/06/14/81/599061481.db2.gz TYGBTJIEIOVRIQ-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821599428 599061482 /nfs/dbraw/zinc/06/14/82/599061482.db2.gz TYGBTJIEIOVRIQ-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821599428 599061485 /nfs/dbraw/zinc/06/14/85/599061485.db2.gz TYGBTJIEIOVRIQ-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821599428 599061487 /nfs/dbraw/zinc/06/14/87/599061487.db2.gz TYGBTJIEIOVRIQ-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN O=C(Cc1ccoc1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020096076 683542729 /nfs/dbraw/zinc/54/27/29/683542729.db2.gz MBMLNLPJWXCGET-SHTZXODSSA-N 0 3 329.356 2.167 20 5 EEBDHN Cc1ccc(N(C)CCN(C)C(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001105484648 1188096926 /nfs/dbraw/zinc/09/69/26/1188096926.db2.gz WDCHBWJIPWLNJD-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000876784889 1199773035 /nfs/dbraw/zinc/77/30/35/1199773035.db2.gz NGIMOSZQOLOIRJ-INIZCTEOSA-N 0 3 333.432 2.366 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000795077935 1200081717 /nfs/dbraw/zinc/08/17/17/1200081717.db2.gz RJYHZAZFLQYBBR-CQSZACIVSA-N 0 3 337.424 2.175 20 5 EEBDHN CC(COC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813101916 1201095668 /nfs/dbraw/zinc/09/56/68/1201095668.db2.gz LHPAJMWNOPDECD-VIFPVBQESA-N 0 3 349.792 2.101 20 5 EEBDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102285 1201097388 /nfs/dbraw/zinc/09/73/88/1201097388.db2.gz DEGAVYBJEQCBPP-ZJUUUORDSA-N 0 3 326.374 2.334 20 5 EEBDHN CC(COC(=O)c1ccc(CSc2nccn2C)o1)[N+](=O)[O-] ZINC000813110999 1201121884 /nfs/dbraw/zinc/12/18/84/1201121884.db2.gz NYASLOAKVHBBMK-VIFPVBQESA-N 0 3 325.346 2.127 20 5 EEBDHN COc1ccc(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000930768497 1206581468 /nfs/dbraw/zinc/58/14/68/1206581468.db2.gz HXIYEWMQVPDHAG-GWCFXTLKSA-N 0 3 334.376 2.208 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097078627 1243674934 /nfs/dbraw/zinc/67/49/34/1243674934.db2.gz UMTMFCCPYNQMRE-HDJSIYSDSA-N 0 3 334.420 2.384 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001101811260 1246207263 /nfs/dbraw/zinc/20/72/63/1246207263.db2.gz RDVVLKDZPMSCFT-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2nncc3n[nH]cc32)C1 ZINC001230900741 1303534637 /nfs/dbraw/zinc/53/46/37/1303534637.db2.gz KSTOCFISEXNMKS-VIFPVBQESA-N 0 3 344.306 2.058 20 5 EEBDHN Cc1cc(NC2(CNC(=O)CN(C)C(C)C)CCC2)ncc1[N+](=O)[O-] ZINC001111815722 1303933554 /nfs/dbraw/zinc/93/35/54/1303933554.db2.gz UZBOYYQVVQQWLM-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN Cc1nn(CN2CC3(C[C@H]2C)CCOCC3)c2ncc([N+](=O)[O-])cc12 ZINC000842639599 1315741715 /nfs/dbraw/zinc/74/17/15/1315741715.db2.gz REFKEERZETZDGI-GFCCVEGCSA-N 0 3 345.403 2.496 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1 ZINC000843469318 1315919818 /nfs/dbraw/zinc/91/98/18/1315919818.db2.gz MLAZVZXNJYGTRO-CYBMUJFWSA-N 0 3 343.786 2.386 20 5 EEBDHN Cc1c(C)c(-n2nc(C(F)(F)F)c3c2CCNC3)ncc1[N+](=O)[O-] ZINC001154849239 1317349658 /nfs/dbraw/zinc/34/96/58/1317349658.db2.gz IFONRCOSXYNIDA-UHFFFAOYSA-N 0 3 341.293 2.457 20 5 EEBDHN CCCSCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155152998 1317476358 /nfs/dbraw/zinc/47/63/58/1317476358.db2.gz PFWVTLFBCNAXIG-UHFFFAOYSA-N 0 3 331.463 2.395 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCNC[C@H]2c2cccs2)c1 ZINC001156111793 1317881925 /nfs/dbraw/zinc/88/19/25/1317881925.db2.gz UQDAYVIAWLCJNB-JTQLQIEISA-N 0 3 340.792 2.094 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(OC2COC2)n1 ZINC001254544565 1318117008 /nfs/dbraw/zinc/11/70/08/1318117008.db2.gz JZRCVNYVUVPBRJ-CYBMUJFWSA-N 0 3 343.383 2.488 20 5 EEBDHN CCOc1ccc([C@@H](CO)N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254572002 1318126350 /nfs/dbraw/zinc/12/63/50/1318126350.db2.gz GBYVYSXYAICVCS-DOTOQJQBSA-N 0 3 343.383 2.179 20 5 EEBDHN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1ccc([C@H](C)N)n1 ZINC001158347956 1319190023 /nfs/dbraw/zinc/19/00/23/1319190023.db2.gz ASKQSMOJXQYEID-ZETCQYMHSA-N 0 3 339.739 2.025 20 5 EEBDHN Cn1cncc1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166185 1331569736 /nfs/dbraw/zinc/56/97/36/1331569736.db2.gz IBQOGENDWJVOQV-KRWDZBQOSA-N 0 3 330.388 2.241 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319253466 1332671405 /nfs/dbraw/zinc/67/14/05/1332671405.db2.gz IGXDEKQNCVLJTF-BZNIZROVSA-N 0 3 330.388 2.103 20 5 EEBDHN C[NH+](C)C1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001609266323 1351915386 /nfs/dbraw/zinc/91/53/86/1351915386.db2.gz ZIVVVTGPWLGDSD-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[NH+](C)C1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001609266323 1351915389 /nfs/dbraw/zinc/91/53/89/1351915389.db2.gz ZIVVVTGPWLGDSD-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001336763082 1336591301 /nfs/dbraw/zinc/59/13/01/1336591301.db2.gz CEXKVGVIFDAKJK-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001337914932 1336753590 /nfs/dbraw/zinc/75/35/90/1336753590.db2.gz BWENJTAYYPOTBH-LBPRGKRZSA-N 0 3 330.344 2.463 20 5 EEBDHN CC(C)[N@H+](C)CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589679016 1349020929 /nfs/dbraw/zinc/02/09/29/1349020929.db2.gz WNFFKSCSTRVADJ-UHFFFAOYSA-N 0 3 337.359 2.056 20 5 EEBDHN CC(C)[N@@H+](C)CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589679016 1349020934 /nfs/dbraw/zinc/02/09/34/1349020934.db2.gz WNFFKSCSTRVADJ-UHFFFAOYSA-N 0 3 337.359 2.056 20 5 EEBDHN CC(C)[N@H+](C)CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589679016 1349020939 /nfs/dbraw/zinc/02/09/39/1349020939.db2.gz WNFFKSCSTRVADJ-UHFFFAOYSA-N 0 3 337.359 2.056 20 5 EEBDHN CC(C)[N@@H+](C)CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589679016 1349020943 /nfs/dbraw/zinc/02/09/43/1349020943.db2.gz WNFFKSCSTRVADJ-UHFFFAOYSA-N 0 3 337.359 2.056 20 5 EEBDHN Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591969666 1349571178 /nfs/dbraw/zinc/57/11/78/1349571178.db2.gz YLYJGDXQHJYERQ-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591969666 1349571186 /nfs/dbraw/zinc/57/11/86/1349571186.db2.gz YLYJGDXQHJYERQ-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC[NH+]1CCCCC1 ZINC001593479909 1349812993 /nfs/dbraw/zinc/81/29/93/1349812993.db2.gz CGIYODOBGVWGDT-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC[NH+]1CCCCC1 ZINC001593479909 1349812997 /nfs/dbraw/zinc/81/29/97/1349812997.db2.gz CGIYODOBGVWGDT-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722848 1351218328 /nfs/dbraw/zinc/21/83/28/1351218328.db2.gz COVCLEXSBKLKOC-JSGCOSHPSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722848 1351218330 /nfs/dbraw/zinc/21/83/30/1351218330.db2.gz COVCLEXSBKLKOC-JSGCOSHPSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722848 1351218331 /nfs/dbraw/zinc/21/83/31/1351218331.db2.gz COVCLEXSBKLKOC-JSGCOSHPSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722848 1351218335 /nfs/dbraw/zinc/21/83/35/1351218335.db2.gz COVCLEXSBKLKOC-JSGCOSHPSA-N 0 3 343.391 2.122 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777995485 1369891081 /nfs/dbraw/zinc/89/10/81/1369891081.db2.gz PNHODXXZJGGGEA-UHFFFAOYSA-N 0 3 347.412 2.053 20 5 EEBDHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092307 1371273703 /nfs/dbraw/zinc/27/37/03/1371273703.db2.gz UGULNNOYZWEEES-YVEFUNNKSA-N 0 3 332.356 2.172 20 5 EEBDHN CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001106979853 782761633 /nfs/dbraw/zinc/76/16/33/782761633.db2.gz YJQMQRMKGLZPBR-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C)C1 ZINC000893603200 774535305 /nfs/dbraw/zinc/53/53/05/774535305.db2.gz UVFCJNLFSTUNQM-ZDUSSCGKSA-N 0 3 340.811 2.484 20 5 EEBDHN Cc1oc(C2CC2)nc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001136039904 785033914 /nfs/dbraw/zinc/03/39/14/785033914.db2.gz HAQIVVPXQPXRFE-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN O=C1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173226 785447558 /nfs/dbraw/zinc/44/75/58/785447558.db2.gz KZCSJGNLOGXXFL-RHSMWYFYSA-N 0 3 347.415 2.151 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107204044 786394023 /nfs/dbraw/zinc/39/40/23/786394023.db2.gz HZHJTQMRFDODJI-VOTSOKGWSA-N 0 3 334.420 2.329 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107391655 787105718 /nfs/dbraw/zinc/10/57/18/787105718.db2.gz LACZFUYRCHCKCB-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000911920420 787807486 /nfs/dbraw/zinc/80/74/86/787807486.db2.gz IAPHHBCGRCGZTL-UHFFFAOYSA-N 0 3 340.811 2.388 20 5 EEBDHN CCNC(=O)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881440 789973586 /nfs/dbraw/zinc/97/35/86/789973586.db2.gz ZRDKUEWUFCUXTA-MEDUHNTESA-N 0 3 340.351 2.382 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001173237170 797322579 /nfs/dbraw/zinc/32/25/79/797322579.db2.gz IQFLXRHDJSEHGD-UKRRQHHQSA-N 0 3 334.420 2.261 20 5 EEBDHN COc1cccc(CN2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036546 803580320 /nfs/dbraw/zinc/58/03/20/803580320.db2.gz GKYYZNHXIMBODB-IRXDYDNUSA-N 0 3 333.432 2.258 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1nccs1 ZINC001169041874 803584132 /nfs/dbraw/zinc/58/41/32/803584132.db2.gz QMCCMAVTSPOXLO-UHFFFAOYSA-N 0 3 326.403 2.023 20 5 EEBDHN COC(=O)[C@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356147 809903542 /nfs/dbraw/zinc/90/35/42/809903542.db2.gz YNWQHGHFWZQBIC-SWLSCSKDSA-N 0 3 348.399 2.419 20 5 EEBDHN Cc1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1C ZINC001131603784 813006736 /nfs/dbraw/zinc/00/67/36/813006736.db2.gz JJFRXLCSDXBMMP-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN CN(CCN(C)C1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186785474 529903314 /nfs/dbraw/zinc/90/33/14/529903314.db2.gz AIYNNVKMGQOIQB-UHFFFAOYSA-N 0 3 331.376 2.171 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000352574483 283186800 /nfs/dbraw/zinc/18/68/00/283186800.db2.gz HRDBWNNBBUCYKN-ZDUSSCGKSA-N 0 3 343.449 2.135 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1(N(C)C)CCC1 ZINC000186992248 236089096 /nfs/dbraw/zinc/08/90/96/236089096.db2.gz OBHGPJRPBNDUNG-CYBMUJFWSA-N 0 3 334.420 2.338 20 5 EEBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451561587 243159742 /nfs/dbraw/zinc/15/97/42/243159742.db2.gz IUSODQVMMMENEN-IUODEOHRSA-N 0 3 349.387 2.250 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247087397 243370252 /nfs/dbraw/zinc/37/02/52/243370252.db2.gz PPAVKGSIQKPIIM-ZFWWWQNUSA-N 0 3 332.404 2.454 20 5 EEBDHN C[C@@H]1NCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262735393 245152604 /nfs/dbraw/zinc/15/26/04/245152604.db2.gz CKUDBCWLJHEJKF-QWRGUYRKSA-N 0 3 341.795 2.226 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CC2)OCCc2ccccc23)n1 ZINC000459527875 245154428 /nfs/dbraw/zinc/15/44/28/245154428.db2.gz QIHGLMMXUZNJEK-UHFFFAOYSA-N 0 3 342.399 2.355 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772038 245243517 /nfs/dbraw/zinc/24/35/17/245243517.db2.gz RUCJHARQCLVMER-TUKIKUTGSA-N 0 3 333.388 2.469 20 5 EEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000491687198 246111763 /nfs/dbraw/zinc/11/17/63/246111763.db2.gz UWLIZJBCNIPFHJ-FTWHOSCRSA-N 0 3 333.363 2.442 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907982 247031872 /nfs/dbraw/zinc/03/18/72/247031872.db2.gz XZKYARMFTXLIDE-AAEUAGOBSA-N 0 3 331.376 2.105 20 5 EEBDHN CN1CCC(O)(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000267098468 256026449 /nfs/dbraw/zinc/02/64/49/256026449.db2.gz LHFPWIMWEYQHRK-UHFFFAOYSA-N 0 3 349.431 2.079 20 5 EEBDHN CC(C)OCCOC[C@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265312 256368939 /nfs/dbraw/zinc/36/89/39/256368939.db2.gz YIYFMBCPMTYPIS-WMLDXEAASA-N 0 3 340.420 2.390 20 5 EEBDHN COc1cc(CN2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000274306952 256373009 /nfs/dbraw/zinc/37/30/09/256373009.db2.gz LCJIYOXHVFJKML-HIFRSBDPSA-N 0 3 343.424 2.220 20 5 EEBDHN Cc1nccn1CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130350356 292372054 /nfs/dbraw/zinc/37/20/54/292372054.db2.gz FHZQHLOFLGCEHO-UHFFFAOYSA-N 0 3 345.403 2.369 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](CN2CCOCC2)C1 ZINC000069805408 159031200 /nfs/dbraw/zinc/03/12/00/159031200.db2.gz CJZJNHHLIDVPNY-INIZCTEOSA-N 0 3 349.431 2.018 20 5 EEBDHN CN(CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079478231 159132446 /nfs/dbraw/zinc/13/24/46/159132446.db2.gz ZZBYFTSLBFUAFI-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN COc1cc(CNC[C@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000105493135 159301487 /nfs/dbraw/zinc/30/14/87/159301487.db2.gz KZNGIHPDTQTLDS-OAHLLOKOSA-N 0 3 346.383 2.305 20 5 EEBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000191953772 160164516 /nfs/dbraw/zinc/16/45/16/160164516.db2.gz PHSVYKHIPPBFJQ-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCN1C ZINC000343572180 161147684 /nfs/dbraw/zinc/14/76/84/161147684.db2.gz VGJGCFHFWXWKRO-RISCZKNCSA-N 0 3 328.372 2.356 20 5 EEBDHN CCN(CC)[C@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345164172 161278014 /nfs/dbraw/zinc/27/80/14/161278014.db2.gz RBDHWDOAAYCOOZ-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCN(C)CC1 ZINC000355453517 163195857 /nfs/dbraw/zinc/19/58/57/163195857.db2.gz IWJUSKQVNORQPH-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)nc1 ZINC000355712574 163278601 /nfs/dbraw/zinc/27/86/01/163278601.db2.gz CBUQXLKSVCJDQC-KRWDZBQOSA-N 0 3 328.372 2.039 20 5 EEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736090 163285880 /nfs/dbraw/zinc/28/58/80/163285880.db2.gz WCTMRHSFUMYWTI-GXFFZTMASA-N 0 3 348.334 2.388 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCOC3(CCOCC3)CC2)cc1 ZINC000364246701 165068555 /nfs/dbraw/zinc/06/85/55/165068555.db2.gz YWHFGVVWUKSKKI-UHFFFAOYSA-N 0 3 336.388 2.245 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000369068968 166183385 /nfs/dbraw/zinc/18/33/85/166183385.db2.gz YFMKNWHEKOPTRU-LBPRGKRZSA-N 0 3 333.388 2.350 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000374871958 167057142 /nfs/dbraw/zinc/05/71/42/167057142.db2.gz CSBPIKMMBQEDHD-DOMZBBRYSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122658616 222132783 /nfs/dbraw/zinc/13/27/83/222132783.db2.gz NEHCPMNZLIBRDL-IUCAKERBSA-N 0 3 342.193 2.180 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000275438757 269115918 /nfs/dbraw/zinc/11/59/18/269115918.db2.gz KAKGEKFMNQEVAZ-HNNXBMFYSA-N 0 3 335.404 2.325 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277747767 269178153 /nfs/dbraw/zinc/17/81/53/269178153.db2.gz BURCILHIRBPQJC-AWEZNQCLSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@@H]1CCSCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361296 269274215 /nfs/dbraw/zinc/27/42/15/269274215.db2.gz WIQBEDBLVSBFCW-TZMCWYRMSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](N)c1ccccc1 ZINC000237707703 274199775 /nfs/dbraw/zinc/19/97/75/274199775.db2.gz OHCTYJWHCAGOAX-DYVFJYSZSA-N 0 3 342.399 2.459 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1N1CCC(CN3CCOCC3)CC1)CCN2 ZINC000275392672 274245286 /nfs/dbraw/zinc/24/52/86/274245286.db2.gz QMRXWDSCNPVQRT-UHFFFAOYSA-N 0 3 346.431 2.111 20 5 EEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287988091 275012589 /nfs/dbraw/zinc/01/25/89/275012589.db2.gz RPMAAXNHVKCDRP-AWEZNQCLSA-N 0 3 338.383 2.089 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C[S@@](C)=O ZINC000362073488 279247073 /nfs/dbraw/zinc/24/70/73/279247073.db2.gz XBGFILVXYLJPNG-VXEWELBQSA-N 0 3 341.433 2.011 20 5 EEBDHN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000297892146 294367521 /nfs/dbraw/zinc/36/75/21/294367521.db2.gz WVHSQHSVNAMJNO-GFCCVEGCSA-N 0 3 333.392 2.328 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000298026250 294399924 /nfs/dbraw/zinc/39/99/24/294399924.db2.gz RXIWOWMASTYSMU-SFHVURJKSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293241 301557084 /nfs/dbraw/zinc/55/70/84/301557084.db2.gz QEDVCLSPIHNDCB-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160230801 311351250 /nfs/dbraw/zinc/35/12/50/311351250.db2.gz MIIJNYIGUNIGSP-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331305065 311836568 /nfs/dbraw/zinc/83/65/68/311836568.db2.gz WOIOIEHZBWVBNR-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN COc1cc(Cc2noc([C@@H]3CCN(C)C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000350314545 312320991 /nfs/dbraw/zinc/32/09/91/312320991.db2.gz CIEAPVQFIQWVQI-SNVBAGLBSA-N 0 3 348.359 2.005 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)s1 ZINC000414552298 313040487 /nfs/dbraw/zinc/04/04/87/313040487.db2.gz DEGKWRRNWQSBAC-BLLLJJGKSA-N 0 3 348.424 2.498 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416506352 313241653 /nfs/dbraw/zinc/24/16/53/313241653.db2.gz ICPCYSWFEPNATR-UHFFFAOYSA-N 0 3 347.462 2.117 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416506352 313241654 /nfs/dbraw/zinc/24/16/54/313241654.db2.gz ICPCYSWFEPNATR-UHFFFAOYSA-N 0 3 347.462 2.117 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](N)c2ccccc2)c1 ZINC000420410466 313951819 /nfs/dbraw/zinc/95/18/19/313951819.db2.gz AKGHTHMQNDXYEO-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN CC(COC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000496841355 316291404 /nfs/dbraw/zinc/29/14/04/316291404.db2.gz VPANHGNRBCVQGY-NEPJUHHUSA-N 0 3 342.392 2.232 20 5 EEBDHN Cc1cc(OCC(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000521959907 316940271 /nfs/dbraw/zinc/94/02/71/316940271.db2.gz BJBDSBCIMFNQRC-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN CC(C)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000527044943 317145416 /nfs/dbraw/zinc/14/54/16/317145416.db2.gz TXWSMXYMIJUWLZ-LBPRGKRZSA-N 0 3 341.433 2.141 20 5 EEBDHN CN1CCC2(CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000547864470 318330122 /nfs/dbraw/zinc/33/01/22/318330122.db2.gz PXJAJRJJSJRJCW-UHFFFAOYSA-N 0 3 347.371 2.024 20 5 EEBDHN CCCCN(C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134421476 463037178 /nfs/dbraw/zinc/03/71/78/463037178.db2.gz RQYHOQJWZLLGBP-UHFFFAOYSA-N 0 3 332.404 2.467 20 5 EEBDHN Cc1c(Br)c(NCCOCCN(C)C)ncc1[N+](=O)[O-] ZINC000231208179 464206049 /nfs/dbraw/zinc/20/60/49/464206049.db2.gz UIHBXHBJQDHCDC-UHFFFAOYSA-N 0 3 347.213 2.051 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293230 465028780 /nfs/dbraw/zinc/02/87/80/465028780.db2.gz QEDVCLSPIHNDCB-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000354793582 465158014 /nfs/dbraw/zinc/15/80/14/465158014.db2.gz QZXXKKAQFFUSRG-AWEZNQCLSA-N 0 3 343.387 2.055 20 5 EEBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000074102832 462554699 /nfs/dbraw/zinc/55/46/99/462554699.db2.gz UXVOZKWDYGUZRR-INIZCTEOSA-N 0 3 328.372 2.490 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153585441 462666907 /nfs/dbraw/zinc/66/69/07/462666907.db2.gz FJRQIUGASAYNSL-NSHDSACASA-N 0 3 327.816 2.081 20 5 EEBDHN C[C@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015510 462767481 /nfs/dbraw/zinc/76/74/81/462767481.db2.gz ZULJWTNRZLATKX-QWHCGFSZSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000065674896 462818436 /nfs/dbraw/zinc/81/84/36/462818436.db2.gz VWHMCGQEHKWCBA-KGLIPLIRSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OC)C1 ZINC000076348147 462846807 /nfs/dbraw/zinc/84/68/07/462846807.db2.gz HFHMKDPGRQJIJY-CYBMUJFWSA-N 0 3 337.376 2.043 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000014261155 462922858 /nfs/dbraw/zinc/92/28/58/462922858.db2.gz ZGQYTAZTQFAPOH-UHFFFAOYSA-N 0 3 342.399 2.328 20 5 EEBDHN NC(=O)c1ccc(CN2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000579226569 468328006 /nfs/dbraw/zinc/32/80/06/468328006.db2.gz SQJQXTTWPCCWHJ-AWEZNQCLSA-N 0 3 326.356 2.078 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000053238269 463143427 /nfs/dbraw/zinc/14/34/27/463143427.db2.gz SVTOCKKSYTWTTF-UHFFFAOYSA-N 0 3 346.431 2.259 20 5 EEBDHN CCCN1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583373 463176969 /nfs/dbraw/zinc/17/69/69/463176969.db2.gz NEOKWSZDORUFHY-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN COc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054281575 463223619 /nfs/dbraw/zinc/22/36/19/463223619.db2.gz AJKBLMFESMILNX-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079682377 463239868 /nfs/dbraw/zinc/23/98/68/463239868.db2.gz VLEGRQVQUQPUHP-VIFPVBQESA-N 0 3 331.294 2.295 20 5 EEBDHN C[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559068 463615567 /nfs/dbraw/zinc/61/55/67/463615567.db2.gz PXTANXFWUVWGNM-WFASDCNBSA-N 0 3 332.404 2.439 20 5 EEBDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000177669141 463761296 /nfs/dbraw/zinc/76/12/96/463761296.db2.gz RTJCPZFWHWGUPD-BONVTDFDSA-N 0 3 329.312 2.465 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000171122160 463791979 /nfs/dbraw/zinc/79/19/79/463791979.db2.gz JLZBYKZSVBUINV-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000261603745 463798267 /nfs/dbraw/zinc/79/82/67/463798267.db2.gz AVFIUAJVQWHICH-JKSUJKDBSA-N 0 3 325.368 2.470 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178448234 463902914 /nfs/dbraw/zinc/90/29/14/463902914.db2.gz UFEHKPMOWXPRDO-UHFFFAOYSA-N 0 3 331.294 2.439 20 5 EEBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(C2CC2)CC1 ZINC000194813541 463933346 /nfs/dbraw/zinc/93/33/46/463933346.db2.gz SULQIMKUNHEFIV-UHFFFAOYSA-N 0 3 329.360 2.284 20 5 EEBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000269309694 463948855 /nfs/dbraw/zinc/94/88/55/463948855.db2.gz HKPHMCWODBTZQP-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269397966 463976494 /nfs/dbraw/zinc/97/64/94/463976494.db2.gz NEQLFIAEOOJNBG-VXGBXAGGSA-N 0 3 337.424 2.292 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972432 468387538 /nfs/dbraw/zinc/38/75/38/468387538.db2.gz TUCFWWMVVCOSTA-CJNGLKHVSA-N 0 3 333.388 2.343 20 5 EEBDHN C[C@@](CO)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591013994 468393168 /nfs/dbraw/zinc/39/31/68/468393168.db2.gz GCCOQLJIBPQJGS-SFHVURJKSA-N 0 3 343.383 2.421 20 5 EEBDHN COc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964104 464141738 /nfs/dbraw/zinc/14/17/38/464141738.db2.gz VYDWDBFNNDWSLQ-NVXWUHKLSA-N 0 3 346.383 2.178 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292557564 464273231 /nfs/dbraw/zinc/27/32/31/464273231.db2.gz AUKSFPMXMBMCJB-INIZCTEOSA-N 0 3 336.388 2.362 20 5 EEBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000271442770 464312040 /nfs/dbraw/zinc/31/20/40/464312040.db2.gz HAKLBVGVYXQDDF-UHFFFAOYSA-N 0 3 344.362 2.246 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271761750 464374685 /nfs/dbraw/zinc/37/46/85/464374685.db2.gz GXHUFPPEMSOWKB-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099050 464454027 /nfs/dbraw/zinc/45/40/27/464454027.db2.gz KFUAHHDFXMNVER-TZMCWYRMSA-N 0 3 344.419 2.230 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294389476 464486852 /nfs/dbraw/zinc/48/68/52/464486852.db2.gz DDCDPAHSKZSBAF-SECBINFHSA-N 0 3 331.294 2.295 20 5 EEBDHN COc1cc(CNC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262677 464541790 /nfs/dbraw/zinc/54/17/90/464541790.db2.gz AVMOFLFAKGIYLU-JTQLQIEISA-N 0 3 347.362 2.287 20 5 EEBDHN CCOC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815564 464553187 /nfs/dbraw/zinc/55/31/87/464553187.db2.gz HDBSRJYIZRAIMG-HZPDHXFCSA-N 0 3 335.404 2.351 20 5 EEBDHN COC(=O)Cc1ccc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295049624 464689438 /nfs/dbraw/zinc/68/94/38/464689438.db2.gz XYBOITNWYZHMGX-CYBMUJFWSA-N 0 3 347.415 2.231 20 5 EEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000295268842 464769122 /nfs/dbraw/zinc/76/91/22/464769122.db2.gz OHTPLIPMGBYVTO-LLVKDONJSA-N 0 3 339.367 2.156 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000249086903 464838138 /nfs/dbraw/zinc/83/81/38/464838138.db2.gz SIKYZTXDEYPARA-TZMCWYRMSA-N 0 3 326.418 2.162 20 5 EEBDHN CCc1nn(C)c(N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286558133 464959944 /nfs/dbraw/zinc/95/99/44/464959944.db2.gz PILLGDVUNYXBNW-UHFFFAOYSA-N 0 3 335.408 2.442 20 5 EEBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551119 465449311 /nfs/dbraw/zinc/44/93/11/465449311.db2.gz ZHNSVABFAOXTAG-VXGBXAGGSA-N 0 3 334.376 2.386 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770595 465499848 /nfs/dbraw/zinc/49/98/48/465499848.db2.gz OLTXTUZYMYJHDW-YOEHRIQHSA-N 0 3 331.372 2.500 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000344547050 465662138 /nfs/dbraw/zinc/66/21/38/465662138.db2.gz ZOCRUNNHYCSMQB-IBGZPJMESA-N 0 3 341.411 2.321 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000353194529 465707662 /nfs/dbraw/zinc/70/76/62/465707662.db2.gz PLTJAQDGJWPYFO-AWEZNQCLSA-N 0 3 335.404 2.484 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000362516365 465798290 /nfs/dbraw/zinc/79/82/90/465798290.db2.gz OXVMQLYEMGJILA-BWTRYIQHSA-N 0 3 336.388 2.018 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000362516367 465799075 /nfs/dbraw/zinc/79/90/75/465799075.db2.gz OXVMQLYEMGJILA-MAJSYBNXSA-N 0 3 336.388 2.018 20 5 EEBDHN CNc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361171933 465813385 /nfs/dbraw/zinc/81/33/85/465813385.db2.gz PHBVMGKSGWTMHZ-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN CC[C@H](N[C@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711658 465962421 /nfs/dbraw/zinc/96/24/21/465962421.db2.gz MMXLXMKWPNBDGL-YESZJQIVSA-N 0 3 338.404 2.456 20 5 EEBDHN CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000346219919 466003786 /nfs/dbraw/zinc/00/37/86/466003786.db2.gz ICISUZHUFLUILP-UHFFFAOYSA-N 0 3 349.840 2.177 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000301741019 466022633 /nfs/dbraw/zinc/02/26/33/466022633.db2.gz XTQXPFLPSBSTMD-NSHDSACASA-N 0 3 326.784 2.308 20 5 EEBDHN COc1c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263803 466040343 /nfs/dbraw/zinc/04/03/43/466040343.db2.gz NJTQBVOSMVUXKI-HEHGZKQESA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000353994190 466308074 /nfs/dbraw/zinc/30/80/74/466308074.db2.gz DWTCQYQORRFXLZ-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@@H]1CN2CCCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054209 466365368 /nfs/dbraw/zinc/36/53/68/466365368.db2.gz VDWQUEVSBLSTPE-PBHICJAKSA-N 0 3 346.431 2.482 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN[C@]1(CO)CCc2ccccc21 ZINC000305240332 466390997 /nfs/dbraw/zinc/39/09/97/466390997.db2.gz QYIGDZYPNNIWDM-SFHVURJKSA-N 0 3 328.368 2.397 20 5 EEBDHN O=C([C@H]1CNCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686526 468503476 /nfs/dbraw/zinc/50/34/76/468503476.db2.gz RLVXVVCETXBMLM-CQSZACIVSA-N 0 3 339.342 2.331 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC1CCN([C@H]2CCOC2)CC1 ZINC000364718619 466713283 /nfs/dbraw/zinc/71/32/83/466713283.db2.gz PJWUGNNFJBSZSK-HNNXBMFYSA-N 0 3 342.399 2.808 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416333271 466730048 /nfs/dbraw/zinc/73/00/48/466730048.db2.gz KVJIEHGDXDIFHK-UHFFFAOYSA-N 0 3 337.424 2.388 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423702381 466808234 /nfs/dbraw/zinc/80/82/34/466808234.db2.gz YDOODGXGWPMPRL-GFCCVEGCSA-N 0 3 345.371 2.434 20 5 EEBDHN N[C@@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000424081469 466974832 /nfs/dbraw/zinc/97/48/32/466974832.db2.gz VOLMMQUXLKSYGK-OAHLLOKOSA-N 0 3 325.368 2.444 20 5 EEBDHN O=C1CCCN1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000412057349 466986372 /nfs/dbraw/zinc/98/63/72/466986372.db2.gz QVVXSPSSQUXMRM-OAHLLOKOSA-N 0 3 347.415 2.451 20 5 EEBDHN COCC(C)(C)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000425508713 467102913 /nfs/dbraw/zinc/10/29/13/467102913.db2.gz RYGDDCCMMHAWFG-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000377643877 467105139 /nfs/dbraw/zinc/10/51/39/467105139.db2.gz QWZMIUCFCYZJBI-CQSZACIVSA-N 0 3 340.383 2.062 20 5 EEBDHN C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425656379 467119839 /nfs/dbraw/zinc/11/98/39/467119839.db2.gz SPECXAOPAHVLLA-IVMMDQJWSA-N 0 3 332.404 2.391 20 5 EEBDHN CN(C)c1ncc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000419693542 467237655 /nfs/dbraw/zinc/23/76/55/467237655.db2.gz NMBJXWLDQDWWMG-UHFFFAOYSA-N 0 3 337.811 2.380 20 5 EEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000452731853 467415747 /nfs/dbraw/zinc/41/57/47/467415747.db2.gz PCALGGXVAKDASN-UHFFFAOYSA-N 0 3 343.387 2.102 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCc2ccccc21 ZINC000392689602 467427869 /nfs/dbraw/zinc/42/78/69/467427869.db2.gz RUOLZTDBSRBWIP-KRWDZBQOSA-N 0 3 325.368 2.141 20 5 EEBDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420924509 467515485 /nfs/dbraw/zinc/51/54/85/467515485.db2.gz JZIKUKMGUCDMLO-CHWSQXEVSA-N 0 3 338.408 2.234 20 5 EEBDHN CNc1nc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454963531 467626653 /nfs/dbraw/zinc/62/66/53/467626653.db2.gz UXFJDAUWHIYBCD-LBPRGKRZSA-N 0 3 349.435 2.272 20 5 EEBDHN COC[C@@]1(C(=O)OC)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449460818 467649037 /nfs/dbraw/zinc/64/90/37/467649037.db2.gz ZWEKZXMIWDTQKT-XTKXOIQPSA-N 0 3 334.372 2.120 20 5 EEBDHN CC(COC(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496572201 467654651 /nfs/dbraw/zinc/65/46/51/467654651.db2.gz PMLNDYFYYRAOLH-VXGBXAGGSA-N 0 3 330.381 2.375 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)cc1OC(F)F ZINC000450595231 467876544 /nfs/dbraw/zinc/87/65/44/467876544.db2.gz LVVYSRSDSKDPMK-LBPRGKRZSA-N 0 3 345.346 2.455 20 5 EEBDHN CCc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000471957586 467982977 /nfs/dbraw/zinc/98/29/77/467982977.db2.gz XKGFZAIADSHVMO-UHFFFAOYSA-N 0 3 349.431 2.340 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCO[C@H](CC)C1 ZINC000487161424 468026106 /nfs/dbraw/zinc/02/61/06/468026106.db2.gz GRDJSBWINWALSL-MRXNPFEDSA-N 0 3 337.420 2.194 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518814391 468128043 /nfs/dbraw/zinc/12/80/43/468128043.db2.gz FGUIOPCCISNLCM-NEPJUHHUSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197840 468509267 /nfs/dbraw/zinc/50/92/67/468509267.db2.gz QPOIRESVUYXPIR-UONOGXRCSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594217080 468516621 /nfs/dbraw/zinc/51/66/21/468516621.db2.gz OWHSDBYPZWQSHB-DLBZAZTESA-N 0 3 346.431 2.453 20 5 EEBDHN COC(=O)c1cnc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599327 468631771 /nfs/dbraw/zinc/63/17/71/468631771.db2.gz JELZCMQHSRAJCT-OLZOCXBDSA-N 0 3 334.376 2.205 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000597669134 468631930 /nfs/dbraw/zinc/63/19/30/468631930.db2.gz RURRYUTWQFVKJN-UHFFFAOYSA-N 0 3 334.420 2.178 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000594616437 468638392 /nfs/dbraw/zinc/63/83/92/468638392.db2.gz BTSZVVOEVPDPSS-OAHLLOKOSA-N 0 3 337.395 2.421 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147437 468760993 /nfs/dbraw/zinc/76/09/93/468760993.db2.gz NIKOIDLFCDMLDD-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CCCN(C)C ZINC000601314470 468823522 /nfs/dbraw/zinc/82/35/22/468823522.db2.gz HNEOQUQFLTXXFF-UHFFFAOYSA-N 0 3 343.449 2.087 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598342291 468836938 /nfs/dbraw/zinc/83/69/38/468836938.db2.gz LWWQUMNQSYURTD-LLVKDONJSA-N 0 3 344.371 2.063 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000593072704 468861039 /nfs/dbraw/zinc/86/10/39/468861039.db2.gz LJUWEZNCCCBVKZ-GFCCVEGCSA-N 0 3 342.342 2.456 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593133243 468882164 /nfs/dbraw/zinc/88/21/64/468882164.db2.gz SNLHXKQILUVGAL-JGVFFNPUSA-N 0 3 336.270 2.014 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450211 468985852 /nfs/dbraw/zinc/98/58/52/468985852.db2.gz INAAFHDLYYXCLM-UHFFFAOYSA-N 0 3 325.384 2.323 20 5 EEBDHN CN(CCN1CCCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593517419 469012472 /nfs/dbraw/zinc/01/24/72/469012472.db2.gz UFKONOITNUIZET-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000610704523 469044433 /nfs/dbraw/zinc/04/44/33/469044433.db2.gz ZYGOFVHUUSBBIF-CQSZACIVSA-N 0 3 346.387 2.262 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599126923 469128956 /nfs/dbraw/zinc/12/89/56/469128956.db2.gz PGMYDDZHDVUWST-SECBINFHSA-N 0 3 342.193 2.039 20 5 EEBDHN O=C(NC1CC1)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091143 469150272 /nfs/dbraw/zinc/15/02/72/469150272.db2.gz WEXCREMYDYCEPQ-ZDUSSCGKSA-N 0 3 330.388 2.136 20 5 EEBDHN Cc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)N2CCCC2)o1 ZINC000596110524 469159662 /nfs/dbraw/zinc/15/96/62/469159662.db2.gz SBMRGTYTZQQDFF-CYBMUJFWSA-N 0 3 331.376 2.722 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000611713194 469307951 /nfs/dbraw/zinc/30/79/51/469307951.db2.gz ZURIOVIDWAKYPM-UONOGXRCSA-N 0 3 333.417 2.020 20 5 EEBDHN CN(C)CCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603234451 469317928 /nfs/dbraw/zinc/31/79/28/469317928.db2.gz IAKNSIMOGQTXIQ-UHFFFAOYSA-N 0 3 343.309 2.358 20 5 EEBDHN O=C([C@H](C1CC1)N1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879464 469333035 /nfs/dbraw/zinc/33/30/35/469333035.db2.gz GVJNPJIDYPEBNP-KRWDZBQOSA-N 0 3 345.399 2.059 20 5 EEBDHN CC(C)c1ccc(CNCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603633275 469420562 /nfs/dbraw/zinc/42/05/62/469420562.db2.gz YFOLYAMZGARMAX-UHFFFAOYSA-N 0 3 343.449 2.089 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411430998 527930824 /nfs/dbraw/zinc/93/08/24/527930824.db2.gz UEJUTJIHPKYGGN-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN CNC(=O)c1ccc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447806712 536434006 /nfs/dbraw/zinc/43/40/06/536434006.db2.gz OHEKFQLAMXBHSZ-HNNXBMFYSA-N 0 3 334.420 2.487 20 5 EEBDHN CN(C)CCN(Cc1ccco1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759698772 577648097 /nfs/dbraw/zinc/64/80/97/577648097.db2.gz NFILUODIKVIBIX-UHFFFAOYSA-N 0 3 329.360 2.404 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1COC(C)(C)OC1 ZINC000757706182 577862868 /nfs/dbraw/zinc/86/28/68/577862868.db2.gz VEKBIRSJPSJWSH-NSHDSACASA-N 0 3 337.376 2.053 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000743587462 577887588 /nfs/dbraw/zinc/88/75/88/577887588.db2.gz OYHFDCBJZPOIDL-LBPRGKRZSA-N 0 3 338.364 2.127 20 5 EEBDHN COc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)N(C)C)cc1OC ZINC000891490547 676674446 /nfs/dbraw/zinc/67/44/46/676674446.db2.gz WZDOPBTUIRFYBQ-LBPRGKRZSA-N 0 3 349.391 2.060 20 5 EEBDHN COc1c([O-])ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891723001 676802584 /nfs/dbraw/zinc/80/25/84/676802584.db2.gz GPNNPEYFTFBJQF-AWEZNQCLSA-N 0 3 335.404 2.369 20 5 EEBDHN Cc1cc(NCC2CC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc2n1 ZINC000896159701 684871049 /nfs/dbraw/zinc/87/10/49/684871049.db2.gz UJUNFXFXQIKNAP-UHFFFAOYSA-N 0 3 329.356 2.438 20 5 EEBDHN Cc1cc(N(C)CCN(C)C(=O)CN(C)C2CCC2)ccc1[N+](=O)[O-] ZINC001105588836 1188201746 /nfs/dbraw/zinc/20/17/46/1188201746.db2.gz ABMHVDPMQFYODV-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109838 1201121781 /nfs/dbraw/zinc/12/17/81/1201121781.db2.gz PNDMVBRQFJCVJM-NSHDSACASA-N 0 3 340.401 2.125 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880570710 1201526344 /nfs/dbraw/zinc/52/63/44/1201526344.db2.gz ZUYRMIHTXTWLRT-INIZCTEOSA-N 0 3 340.387 2.327 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095674436 1205911241 /nfs/dbraw/zinc/91/12/41/1205911241.db2.gz RKJZJQMEERMLCP-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN O=C(C1CCC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048636514 1238157274 /nfs/dbraw/zinc/15/72/74/1238157274.db2.gz SGEOJJRVJLJCDV-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN O=C(c1cc[nH]c1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048834929 1238850747 /nfs/dbraw/zinc/85/07/47/1238850747.db2.gz JIIJOVGUWBOXFV-IYBDPMFKSA-N 0 3 340.383 2.127 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001097227410 1243852017 /nfs/dbraw/zinc/85/20/17/1243852017.db2.gz FHRSMBPQVOEZRT-BETUJISGSA-N 0 3 332.404 2.138 20 5 EEBDHN CCN(CC)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110591336 1290225038 /nfs/dbraw/zinc/22/50/38/1290225038.db2.gz ALEREKFXRPUOIJ-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CCN1CCC(Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001226361045 1301376394 /nfs/dbraw/zinc/37/63/94/1301376394.db2.gz IWQKKUNFZAUQBZ-UHFFFAOYSA-N 0 3 338.360 2.253 20 5 EEBDHN COCCN1CCC(Oc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001229404489 1302766326 /nfs/dbraw/zinc/76/63/26/1302766326.db2.gz YGPJZDNEOVFDOO-UHFFFAOYSA-N 0 3 332.360 2.028 20 5 EEBDHN Cc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001233862968 1304619445 /nfs/dbraw/zinc/61/94/45/1304619445.db2.gz DWNRMWWNGMLASU-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN COc1ccccc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150169604 1316189213 /nfs/dbraw/zinc/18/92/13/1316189213.db2.gz DFVUTIFUUBWLKG-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN CC(C)n1cccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151213487 1316478133 /nfs/dbraw/zinc/47/81/33/1316478133.db2.gz OEPISLMQMCFYJV-UHFFFAOYSA-N 0 3 330.388 2.497 20 5 EEBDHN CN(C)c1ccccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153414363 1316825593 /nfs/dbraw/zinc/82/55/93/1316825593.db2.gz XKNCZOJVFIFGDG-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN CCc1nc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)co1 ZINC001156917776 1318286583 /nfs/dbraw/zinc/28/65/83/1318286583.db2.gz ZCPYVEHOJHXEJD-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159567905 1319894127 /nfs/dbraw/zinc/89/41/27/1319894127.db2.gz SXSGDDXSSSZTKP-UHFFFAOYSA-N 0 3 328.372 2.449 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160337843 1320137958 /nfs/dbraw/zinc/13/79/58/1320137958.db2.gz NKXHRRJPPHBRNR-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1CNCc2ccsc21 ZINC001163238825 1321074664 /nfs/dbraw/zinc/07/46/64/1321074664.db2.gz OBXIHFWEGFVXQC-LLVKDONJSA-N 0 3 330.369 2.156 20 5 EEBDHN O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650951 1321181859 /nfs/dbraw/zinc/18/18/59/1321181859.db2.gz XCSCFPZSZUBEBN-SWLSCSKDSA-N 0 3 349.416 2.313 20 5 EEBDHN CCCc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001163691973 1321193747 /nfs/dbraw/zinc/19/37/47/1321193747.db2.gz VWHJXBQMWLXARA-UHFFFAOYSA-N 0 3 345.403 2.180 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717996 1332940269 /nfs/dbraw/zinc/94/02/69/1332940269.db2.gz XJIIWRDBQSVRLQ-VXGBXAGGSA-N 0 3 338.360 2.043 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)CNCCO3)n1 ZINC001579642704 1344402427 /nfs/dbraw/zinc/40/24/27/1344402427.db2.gz RXYFABCIZIMLAN-UHFFFAOYSA-N 0 3 328.328 2.033 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258909 1349236408 /nfs/dbraw/zinc/23/64/08/1349236408.db2.gz FOYNSIOUNSAPLF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590258909 1349236413 /nfs/dbraw/zinc/23/64/13/1349236413.db2.gz FOYNSIOUNSAPLF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258909 1349236417 /nfs/dbraw/zinc/23/64/17/1349236417.db2.gz FOYNSIOUNSAPLF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590258909 1349236420 /nfs/dbraw/zinc/23/64/20/1349236420.db2.gz FOYNSIOUNSAPLF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603904705 1350798934 /nfs/dbraw/zinc/79/89/34/1350798934.db2.gz AWIHORYKEOVJTJ-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603904705 1350798937 /nfs/dbraw/zinc/79/89/37/1350798937.db2.gz AWIHORYKEOVJTJ-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564282 1368036650 /nfs/dbraw/zinc/03/66/50/1368036650.db2.gz DUTMFPJRVHDJGQ-SMDDNHRTSA-N 0 3 349.362 2.407 20 5 EEBDHN CCCn1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001167451680 759538227 /nfs/dbraw/zinc/53/82/27/759538227.db2.gz STEHRUBLXSGVCA-UHFFFAOYSA-N 0 3 345.403 2.111 20 5 EEBDHN CC([C@@H](OC(=O)CN1CCSC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872503 789971238 /nfs/dbraw/zinc/97/12/38/789971238.db2.gz IOOWMSDBNBNSOL-TVQRCGJNSA-N 0 3 342.348 2.244 20 5 EEBDHN CC([C@@H](OC(=O)CCN1CCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845880173 789973060 /nfs/dbraw/zinc/97/30/60/789973060.db2.gz ZAAUEZCVLIDZSR-MEDUHNTESA-N 0 3 338.335 2.088 20 5 EEBDHN CC(C)c1ocnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146863813 791532299 /nfs/dbraw/zinc/53/22/99/791532299.db2.gz IGAJSNOREBGTIP-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CC[C@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000922591358 801437697 /nfs/dbraw/zinc/43/76/97/801437697.db2.gz DQBKKYZOSVABRM-CYBMUJFWSA-N 0 3 327.812 2.449 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001086150966 802310281 /nfs/dbraw/zinc/31/02/81/802310281.db2.gz HYQVMBRFQNKKJG-VDISTLRHSA-N 0 3 346.362 2.360 20 5 EEBDHN COC(=O)c1ccccc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039791 803582665 /nfs/dbraw/zinc/58/26/65/803582665.db2.gz TZGCDILIGKETFO-LSDHHAIUSA-N 0 3 347.415 2.041 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054371 803596491 /nfs/dbraw/zinc/59/64/91/803596491.db2.gz LPVMQKUDXSRIMZ-CYZMBNFOSA-N 0 3 343.225 2.338 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344413 809916366 /nfs/dbraw/zinc/91/63/66/809916366.db2.gz BUZABINFALJLBQ-ZFWWWQNUSA-N 0 3 345.403 2.463 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001526956673 1120627439 /nfs/dbraw/zinc/62/74/39/1120627439.db2.gz IIMMRIIKQPQZOH-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000171679284 529467284 /nfs/dbraw/zinc/46/72/84/529467284.db2.gz WTTRDTBILFGGCD-AWEZNQCLSA-N 0 3 345.403 2.221 20 5 EEBDHN CN(CCCOc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159716427 529896246 /nfs/dbraw/zinc/89/62/46/529896246.db2.gz WJOBPOHHZJVMLN-UHFFFAOYSA-N 0 3 331.372 2.157 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c1C ZINC000184093251 235304100 /nfs/dbraw/zinc/30/41/00/235304100.db2.gz QSGNWPSXTZGGEO-UHFFFAOYSA-N 0 3 343.449 2.078 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438280815 242001701 /nfs/dbraw/zinc/00/17/01/242001701.db2.gz IROPBGYDCWJOMW-DDJMYBDESA-N 0 3 333.432 2.385 20 5 EEBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449538103 242559817 /nfs/dbraw/zinc/55/98/17/242559817.db2.gz GZLDYVGVQYZRBX-ONGXEEELSA-N 0 3 348.346 2.496 20 5 EEBDHN CCN1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000459453751 245128203 /nfs/dbraw/zinc/12/82/03/245128203.db2.gz CNFHSCCMNPWBNJ-ZIAGYGMSSA-N 0 3 337.420 2.397 20 5 EEBDHN CCN(Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266480917 248323129 /nfs/dbraw/zinc/32/31/29/248323129.db2.gz TUIIDWHVZWHONG-HNNXBMFYSA-N 0 3 338.795 2.328 20 5 EEBDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266588195 248373097 /nfs/dbraw/zinc/37/30/97/248373097.db2.gz KWXIJOVVCKPDSZ-CSMYWGQOSA-N 0 3 348.378 2.374 20 5 EEBDHN CCN(CC)CCSCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182066349 284655382 /nfs/dbraw/zinc/65/53/82/284655382.db2.gz XCNXWPPXIPBUOZ-UHFFFAOYSA-N 0 3 346.474 2.444 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000273504458 256302344 /nfs/dbraw/zinc/30/23/44/256302344.db2.gz VWXLZORWPJGXHJ-STQMWFEESA-N 0 3 342.396 2.243 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000191090553 152237863 /nfs/dbraw/zinc/23/78/63/152237863.db2.gz AVQYIWOBLNVAMT-AWEZNQCLSA-N 0 3 333.388 2.222 20 5 EEBDHN COC(=O)c1cnc(N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377195385 154081872 /nfs/dbraw/zinc/08/18/72/154081872.db2.gz FAKVZZKYMCQPQM-GFCCVEGCSA-N 0 3 334.376 2.205 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499981 161070179 /nfs/dbraw/zinc/07/01/79/161070179.db2.gz OSHRQNAHIPURON-MLGOLLRUSA-N 0 3 342.399 2.148 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344403926 161223896 /nfs/dbraw/zinc/22/38/96/161223896.db2.gz WZCCVDLZLFOXOZ-LLVKDONJSA-N 0 3 325.796 2.343 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CCOCC1 ZINC000359876921 164189824 /nfs/dbraw/zinc/18/98/24/164189824.db2.gz PTKQCCHFOBNVID-MRXNPFEDSA-N 0 3 338.404 2.259 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360743701 164373397 /nfs/dbraw/zinc/37/33/97/164373397.db2.gz GASIJNIJKXRCHQ-UHFFFAOYSA-N 0 3 343.387 2.485 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278691336 269240337 /nfs/dbraw/zinc/24/03/37/269240337.db2.gz ZKIQSGVSUIRJDD-QGZVFWFLSA-N 0 3 343.383 2.048 20 5 EEBDHN COc1cc(CNCCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000279354785 269273799 /nfs/dbraw/zinc/27/37/99/269273799.db2.gz GMPONAXVQYTDOT-SNVBAGLBSA-N 0 3 348.346 2.498 20 5 EEBDHN Cc1cc(OCC(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000280659262 269382836 /nfs/dbraw/zinc/38/28/36/269382836.db2.gz WZEUQZHWRZRLPU-UHFFFAOYSA-N 0 3 335.404 2.130 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416299058 273791050 /nfs/dbraw/zinc/79/10/50/273791050.db2.gz FIDIDLVSLQDZGZ-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN CO[C@@H]1C[C@@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])N(C)C1 ZINC000345129591 274069186 /nfs/dbraw/zinc/06/91/86/274069186.db2.gz GRTBXYAJKIRVIV-NWDGAFQWSA-N 0 3 327.812 2.399 20 5 EEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271798943 274154357 /nfs/dbraw/zinc/15/43/57/274154357.db2.gz OSECETHPYWDQJK-CQSZACIVSA-N 0 3 338.795 2.331 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000277393914 274287826 /nfs/dbraw/zinc/28/78/26/274287826.db2.gz ASNHRYFDVGUJII-CQSZACIVSA-N 0 3 332.404 2.140 20 5 EEBDHN COC(=O)C1CCN(CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286110412 274837725 /nfs/dbraw/zinc/83/77/25/274837725.db2.gz LQSZJQXFQCZCOO-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN O=C1[C@H](N2CC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412645 275029706 /nfs/dbraw/zinc/02/97/06/275029706.db2.gz VFHUZHVSAMDVQM-JKIFEVAISA-N 0 3 345.399 2.059 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2cnc(N3CCCC3)nc2)cc1 ZINC000071857554 275035169 /nfs/dbraw/zinc/03/51/69/275035169.db2.gz VFRMDYPEKYMXPK-UHFFFAOYSA-N 0 3 327.388 2.317 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000288451416 275059820 /nfs/dbraw/zinc/05/98/20/275059820.db2.gz ZACBZZPDTMWTFQ-JSGCOSHPSA-N 0 3 328.372 2.316 20 5 EEBDHN CS[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1N(C)C ZINC000347425431 278168707 /nfs/dbraw/zinc/16/87/07/278168707.db2.gz DKUKZYGVMBZDHD-STQMWFEESA-N 0 3 333.417 2.020 20 5 EEBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116371965 289185298 /nfs/dbraw/zinc/18/52/98/289185298.db2.gz IFTNWKSXIQMPHY-AWEZNQCLSA-N 0 3 343.449 2.240 20 5 EEBDHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293738009 293283238 /nfs/dbraw/zinc/28/32/38/293283238.db2.gz QZKVNGNHKJDXCM-GFCCVEGCSA-N 0 3 332.404 2.123 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(C(F)F)CC2)c1 ZINC000361701025 304806807 /nfs/dbraw/zinc/80/68/07/304806807.db2.gz ZVTRFDKIFVKSPM-ZDUSSCGKSA-N 0 3 330.331 2.312 20 5 EEBDHN CCS[C@@H]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859714 311347516 /nfs/dbraw/zinc/34/75/16/311347516.db2.gz KQOBHLSHKUVHIY-TZMCWYRMSA-N 0 3 325.434 2.363 20 5 EEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000161405783 311365671 /nfs/dbraw/zinc/36/56/71/311365671.db2.gz FHAHDOQUIWJEAR-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640221 312039129 /nfs/dbraw/zinc/03/91/29/312039129.db2.gz QUGIQVJZUNDCAJ-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc(C(=O)NCc2ccc3c(c2)CNC3)cc([N+](=O)[O-])c1C ZINC000423588048 314303028 /nfs/dbraw/zinc/30/30/28/314303028.db2.gz GLUNBFPVOBRPNR-UHFFFAOYSA-N 0 3 341.367 2.445 20 5 EEBDHN Cc1ccccc1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441280538 315178229 /nfs/dbraw/zinc/17/82/29/315178229.db2.gz SGGKCLXVUSOFMQ-KRWDZBQOSA-N 0 3 330.388 2.125 20 5 EEBDHN CNc1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000540890642 318081466 /nfs/dbraw/zinc/08/14/66/318081466.db2.gz KSGLVHWJDNMCMG-GFCCVEGCSA-N 0 3 334.420 2.439 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000548086010 318353417 /nfs/dbraw/zinc/35/34/17/318353417.db2.gz IIHMLEPPLPKDFR-HNNXBMFYSA-N 0 3 343.387 2.193 20 5 EEBDHN Cn1cc(CNCCc2cnccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341267067 465084316 /nfs/dbraw/zinc/08/43/16/465084316.db2.gz SEUBVKMVTMQSNQ-UHFFFAOYSA-N 0 3 338.371 2.118 20 5 EEBDHN COCCOC1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000296308918 465152218 /nfs/dbraw/zinc/15/22/18/465152218.db2.gz GFRHLRURAZKNNM-CQSZACIVSA-N 0 3 338.404 2.458 20 5 EEBDHN CC(=O)NCC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347658569 465153325 /nfs/dbraw/zinc/15/33/25/465153325.db2.gz WDBCCWGMNMOVFA-HNNXBMFYSA-N 0 3 335.404 2.212 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)CC2(CO)CC2)n1 ZINC000341931253 465276948 /nfs/dbraw/zinc/27/69/48/465276948.db2.gz DFKLHKOXBZADAO-UHFFFAOYSA-N 0 3 330.388 2.066 20 5 EEBDHN CCNc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356384224 465351203 /nfs/dbraw/zinc/35/12/03/465351203.db2.gz DELBFVUAYJBVBC-IUODEOHRSA-N 0 3 334.420 2.439 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000085455787 462547466 /nfs/dbraw/zinc/54/74/66/462547466.db2.gz AEAXLMQJKUWNQU-TXEJJXNPSA-N 0 3 341.433 2.276 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1cccc(O)c1)CC1CC1 ZINC000090549126 462796642 /nfs/dbraw/zinc/79/66/42/462796642.db2.gz KTSQJUVWOMKWFP-UHFFFAOYSA-N 0 3 343.383 2.374 20 5 EEBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000068202362 463103442 /nfs/dbraw/zinc/10/34/42/463103442.db2.gz XLYHLMFAUNPEHZ-KBPBESRZSA-N 0 3 334.420 2.386 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000126130798 463608229 /nfs/dbraw/zinc/60/82/29/463608229.db2.gz DIDDDTZGESUTFI-OLZOCXBDSA-N 0 3 337.445 2.486 20 5 EEBDHN O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1n[n-]cc1[N+](=O)[O-] ZINC000126499908 463641824 /nfs/dbraw/zinc/64/18/24/463641824.db2.gz ZYXNDAVMAFRRLY-UHFFFAOYSA-N 0 3 347.400 2.119 20 5 EEBDHN Cc1c(Br)c(NC[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000165725346 463646534 /nfs/dbraw/zinc/64/65/34/463646534.db2.gz GRJCMDONESYJFG-SECBINFHSA-N 0 3 329.198 2.424 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846978 463723188 /nfs/dbraw/zinc/72/31/88/463723188.db2.gz BDJRSKYCFZUOJW-CZUORRHYSA-N 0 3 346.431 2.261 20 5 EEBDHN CCOc1cc(CN2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276844855 463778865 /nfs/dbraw/zinc/77/88/65/463778865.db2.gz CSOMAOUQIMTMPW-UHFFFAOYSA-N 0 3 349.431 2.290 20 5 EEBDHN CCOc1cc(CN2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000276851602 463780810 /nfs/dbraw/zinc/78/08/10/463780810.db2.gz DSYIZWFOBQBWGE-ZBFHGGJFSA-N 0 3 339.461 2.471 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261724466 463840765 /nfs/dbraw/zinc/84/07/65/463840765.db2.gz NSWGOAWMUZJBKK-HNNXBMFYSA-N 0 3 335.795 2.091 20 5 EEBDHN CC(C)[C@@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068193 463864071 /nfs/dbraw/zinc/86/40/71/463864071.db2.gz DQBFOBRPBBCUET-DRPJVOAASA-N 0 3 340.445 2.109 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269319015 463950991 /nfs/dbraw/zinc/95/09/91/463950991.db2.gz AQZOLAWDHFOIAL-LBPRGKRZSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C)CC1 ZINC000263835439 464210499 /nfs/dbraw/zinc/21/04/99/464210499.db2.gz BEPMJTJQUKAQHV-GFCCVEGCSA-N 0 3 331.376 2.343 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000264345029 464295203 /nfs/dbraw/zinc/29/52/03/464295203.db2.gz QTBCGCZMFNVABI-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000271898584 464405427 /nfs/dbraw/zinc/40/54/27/464405427.db2.gz UYLFGQCWPODKFT-GJZGRUSLSA-N 0 3 333.388 2.471 20 5 EEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237997097 464417428 /nfs/dbraw/zinc/41/74/28/464417428.db2.gz OXAPZGNLPZPYNG-SKDRFNHKSA-N 0 3 347.824 2.044 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000174832356 464456108 /nfs/dbraw/zinc/45/61/08/464456108.db2.gz AAMBNQOCBALKNU-KRWDZBQOSA-N 0 3 330.388 2.473 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000294677587 464571900 /nfs/dbraw/zinc/57/19/00/464571900.db2.gz BJVJKXCZWOZQKZ-UHFFFAOYSA-N 0 3 332.404 2.446 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000247500806 464686875 /nfs/dbraw/zinc/68/68/75/464686875.db2.gz UZEOOMWCAYFAGV-SWLSCSKDSA-N 0 3 337.445 2.486 20 5 EEBDHN COc1cc(C(=O)N(C)CCN2CCCCC2)c([N+](=O)[O-])cc1F ZINC000593884319 468419725 /nfs/dbraw/zinc/41/97/25/468419725.db2.gz WSBKKBIFHAHGAE-UHFFFAOYSA-N 0 3 339.367 2.300 20 5 EEBDHN Cc1cccc2c1CC(C)(C)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000295191194 464738559 /nfs/dbraw/zinc/73/85/59/464738559.db2.gz JKXVWTPIGCRWFV-MRXNPFEDSA-N 0 3 344.415 2.298 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295427785 464830759 /nfs/dbraw/zinc/83/07/59/464830759.db2.gz UOZGEQKHCDEGEH-GFCCVEGCSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000249047372 464833424 /nfs/dbraw/zinc/83/34/24/464833424.db2.gz NVDXUBGYUSHVEV-CHWSQXEVSA-N 0 3 326.418 2.162 20 5 EEBDHN CCNC(=O)N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022278 465023116 /nfs/dbraw/zinc/02/31/16/465023116.db2.gz PDXZLSYGJIDVGA-BBRMVZONSA-N 0 3 332.404 2.366 20 5 EEBDHN CSc1ccccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355246 465323951 /nfs/dbraw/zinc/32/39/51/465323951.db2.gz DPJQVFXUSDUYMD-AAEUAGOBSA-N 0 3 336.417 2.225 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356980238 465676004 /nfs/dbraw/zinc/67/60/04/465676004.db2.gz OTWVWEMDIPWESO-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000338027511 465761334 /nfs/dbraw/zinc/76/13/34/465761334.db2.gz JEBJZBNWQAWZFT-MJBXVCDLSA-N 0 3 334.420 2.384 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146534 465814110 /nfs/dbraw/zinc/81/41/10/465814110.db2.gz GJJDFERATOJLIX-GFCCVEGCSA-N 0 3 330.388 2.171 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138021 465908135 /nfs/dbraw/zinc/90/81/35/465908135.db2.gz ACFXXDPROOLMRB-HNNXBMFYSA-N 0 3 346.431 2.408 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712602 465962600 /nfs/dbraw/zinc/96/26/00/465962600.db2.gz BATQWWTZWPZCNH-FRFSOERESA-N 0 3 338.404 2.374 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000346181174 465968656 /nfs/dbraw/zinc/96/86/56/465968656.db2.gz HWKFJEBLHJHXMT-OGHNNQOOSA-N 0 3 347.415 2.406 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302419306 466138085 /nfs/dbraw/zinc/13/80/85/466138085.db2.gz ILOMWEWDLGFJMO-ZDUSSCGKSA-N 0 3 333.436 2.001 20 5 EEBDHN CCOc1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302487287 466145865 /nfs/dbraw/zinc/14/58/65/466145865.db2.gz IRIQTUMRYGRZAB-CYBMUJFWSA-N 0 3 337.420 2.275 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000346798012 466161261 /nfs/dbraw/zinc/16/12/61/466161261.db2.gz PDNIGLBZVDBVQS-UKRRQHHQSA-N 0 3 340.445 2.473 20 5 EEBDHN Cn1nccc1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170808 466202807 /nfs/dbraw/zinc/20/28/07/466202807.db2.gz WGDLJERTFYRKJP-YOEHRIQHSA-N 0 3 330.388 2.241 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000357855028 466266393 /nfs/dbraw/zinc/26/63/93/466266393.db2.gz DEOCAUUFGGZCMZ-XHDPSFHLSA-N 0 3 345.403 2.356 20 5 EEBDHN COc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000331879415 466287696 /nfs/dbraw/zinc/28/76/96/466287696.db2.gz IGNQWLHVMKOKBE-UONOGXRCSA-N 0 3 333.388 2.094 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000305772125 466459299 /nfs/dbraw/zinc/45/92/99/466459299.db2.gz KTHFIKQPINWCHI-AWEZNQCLSA-N 0 3 336.779 2.085 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000354420171 466555661 /nfs/dbraw/zinc/55/56/61/466555661.db2.gz HFIREVYQUKTXGV-UHFFFAOYSA-N 0 3 333.388 2.107 20 5 EEBDHN CCOC(=O)c1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676368 466884729 /nfs/dbraw/zinc/88/47/29/466884729.db2.gz WEMRIIRJPKHNKS-UONOGXRCSA-N 0 3 349.387 2.047 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408729 467155894 /nfs/dbraw/zinc/15/58/94/467155894.db2.gz WKOCSXOZMNELKB-CQSZACIVSA-N 0 3 331.376 2.931 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408729 467155898 /nfs/dbraw/zinc/15/58/98/467155898.db2.gz WKOCSXOZMNELKB-CQSZACIVSA-N 0 3 331.376 2.931 20 5 EEBDHN CC1(C)C[C@@H](NCCNc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281004 467313996 /nfs/dbraw/zinc/31/39/96/467313996.db2.gz AJQBAPBBQXHJCN-OAHLLOKOSA-N 0 3 327.388 2.809 20 5 EEBDHN CN(C(=O)CN1CCNCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000430952272 467480832 /nfs/dbraw/zinc/48/08/32/467480832.db2.gz YLQNPGNXPLYNIG-UHFFFAOYSA-N 0 3 340.383 2.167 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000448182323 467590378 /nfs/dbraw/zinc/59/03/78/467590378.db2.gz SGWAIGGSBIHXHT-IUODEOHRSA-N 0 3 341.433 2.089 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000449243295 467625347 /nfs/dbraw/zinc/62/53/47/467625347.db2.gz JSCAKWCCGJILJN-SJCJKPOMSA-N 0 3 338.404 2.208 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000449558509 467662142 /nfs/dbraw/zinc/66/21/42/467662142.db2.gz WLLPUTFPXJUNIT-PBFPGSCMSA-N 0 3 348.399 2.444 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000449994397 467758646 /nfs/dbraw/zinc/75/86/46/467758646.db2.gz HGHARYDFJIEVKJ-YPMHNXCESA-N 0 3 343.387 2.197 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](C)C1 ZINC000516394201 468026196 /nfs/dbraw/zinc/02/61/96/468026196.db2.gz VRQGLZLSYBLZMV-NEPJUHHUSA-N 0 3 349.387 2.174 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000490206104 468201074 /nfs/dbraw/zinc/20/10/74/468201074.db2.gz GOQJPXVRBOJLDD-KRWDZBQOSA-N 0 3 332.404 2.140 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCS(C)(=O)=O ZINC000595045947 468748007 /nfs/dbraw/zinc/74/80/07/468748007.db2.gz WJMDXHUKSIKFOP-NSHDSACASA-N 0 3 330.406 2.079 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261003 468810074 /nfs/dbraw/zinc/81/00/74/468810074.db2.gz CIKIEWROGPZWQB-GFCCVEGCSA-N 0 3 337.424 2.292 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261903 468810275 /nfs/dbraw/zinc/81/02/75/468810275.db2.gz IDRQIWSIUIEFFV-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000598341838 468836794 /nfs/dbraw/zinc/83/67/94/468836794.db2.gz GXIYYKPCVQFHCB-ZDUSSCGKSA-N 0 3 343.387 2.199 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593133244 468882343 /nfs/dbraw/zinc/88/23/43/468882343.db2.gz SNLHXKQILUVGAL-SFYZADRCSA-N 0 3 336.270 2.014 20 5 EEBDHN C[C@@H]1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684415 469009217 /nfs/dbraw/zinc/00/92/17/469009217.db2.gz XWAANZNGFFXINA-IUODEOHRSA-N 0 3 342.403 2.451 20 5 EEBDHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073714 469108123 /nfs/dbraw/zinc/10/81/23/469108123.db2.gz PPKYEIFLUDSGKE-KCPJHIHWSA-N 0 3 341.433 2.106 20 5 EEBDHN CSC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602922290 469166490 /nfs/dbraw/zinc/16/64/90/469166490.db2.gz GPFRKLSADYUQAP-GFCCVEGCSA-N 0 3 326.418 2.162 20 5 EEBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000596148060 469175800 /nfs/dbraw/zinc/17/58/00/469175800.db2.gz YRTZZIZGSVSNNP-UHFFFAOYSA-N 0 3 328.372 2.207 20 5 EEBDHN CN(C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596158670 469179719 /nfs/dbraw/zinc/17/97/19/469179719.db2.gz CAQMUBBRGAXPRP-UHFFFAOYSA-N 0 3 348.428 2.323 20 5 EEBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596177190 469188395 /nfs/dbraw/zinc/18/83/95/469188395.db2.gz CMUWMMQDNUIJIQ-TZMCWYRMSA-N 0 3 338.477 2.427 20 5 EEBDHN COC(=O)c1cnc(N2CCN(C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596251811 469221770 /nfs/dbraw/zinc/22/17/70/469221770.db2.gz ZBADDUGFBXOJNQ-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CCn1cnnc1CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000611930393 469346815 /nfs/dbraw/zinc/34/68/15/469346815.db2.gz MPCQKQCJRUUUNA-UHFFFAOYSA-N 0 3 326.360 2.139 20 5 EEBDHN CNC(=O)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602531571 469352258 /nfs/dbraw/zinc/35/22/58/469352258.db2.gz XODCMABQTJRYER-UHFFFAOYSA-N 0 3 336.211 2.035 20 5 EEBDHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748776 469791339 /nfs/dbraw/zinc/79/13/39/469791339.db2.gz CTXLYROMEAXPPE-SUMWQHHRSA-N 0 3 347.415 2.068 20 5 EEBDHN O=[N+]([O-])c1ncccc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000610160517 469985338 /nfs/dbraw/zinc/98/53/38/469985338.db2.gz UQCQLQKULKQJPP-QGZVFWFLSA-N 0 3 328.372 2.039 20 5 EEBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459771972 535944061 /nfs/dbraw/zinc/94/40/61/535944061.db2.gz JGPLSVBDKQIWPW-OLZOCXBDSA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773190812 577321633 /nfs/dbraw/zinc/32/16/33/577321633.db2.gz LOIVRDZBPDMSAA-NSHDSACASA-N 0 3 344.371 2.063 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000746287716 577925393 /nfs/dbraw/zinc/92/53/93/577925393.db2.gz WIEMYZRMENLCCA-HNNXBMFYSA-N 0 3 342.399 2.080 20 5 EEBDHN COc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1OC ZINC000749673399 577979686 /nfs/dbraw/zinc/97/96/86/577979686.db2.gz FSTSJRMVRWEGMN-OAHLLOKOSA-N 0 3 332.356 2.435 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000741950829 578126125 /nfs/dbraw/zinc/12/61/25/578126125.db2.gz MVBRUUFHWVHFNR-UHFFFAOYSA-N 0 3 338.364 2.225 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735273724 578143486 /nfs/dbraw/zinc/14/34/86/578143486.db2.gz ZVHFJKLRAJEUFR-OAHLLOKOSA-N 0 3 346.387 2.165 20 5 EEBDHN CC[C@@H](C[NH+]1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736350496 578198249 /nfs/dbraw/zinc/19/82/49/578198249.db2.gz OFSJUDQNDRCEHU-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821599429 599061748 /nfs/dbraw/zinc/06/17/48/599061748.db2.gz TYGBTJIEIOVRIQ-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821599429 599061750 /nfs/dbraw/zinc/06/17/50/599061750.db2.gz TYGBTJIEIOVRIQ-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821599429 599061753 /nfs/dbraw/zinc/06/17/53/599061753.db2.gz TYGBTJIEIOVRIQ-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821599429 599061755 /nfs/dbraw/zinc/06/17/55/599061755.db2.gz TYGBTJIEIOVRIQ-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(COC(=O)c1cc(Br)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813103365 675679228 /nfs/dbraw/zinc/67/92/28/675679228.db2.gz PJZHTQJRKUKYPY-SSDOTTSWSA-N 0 3 346.133 2.042 20 5 EEBDHN CCc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001168139563 1186973290 /nfs/dbraw/zinc/97/32/90/1186973290.db2.gz ZVEZXLJELHAMHE-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)CC2CCC2)CC1 ZINC001034614704 1196437563 /nfs/dbraw/zinc/43/75/63/1196437563.db2.gz UKEKMMZVALVWLN-HDJSIYSDSA-N 0 3 349.435 2.036 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1OC ZINC000813108558 1201120088 /nfs/dbraw/zinc/12/00/88/1201120088.db2.gz HMNLHANIMBCYJM-LLVKDONJSA-N 0 3 333.344 2.265 20 5 EEBDHN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000935316175 1208131855 /nfs/dbraw/zinc/13/18/55/1208131855.db2.gz QLWDKLRBPBLNBS-ZLIFDBKOSA-N 0 3 329.400 2.465 20 5 EEBDHN CN(CCCNC(=O)CN1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001095738337 1208450566 /nfs/dbraw/zinc/45/05/66/1208450566.db2.gz IMFKZNYRGNOTAO-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN CCc1ocnc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020039073 1229452760 /nfs/dbraw/zinc/45/27/60/1229452760.db2.gz JYPPCGUENAHQHP-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097078615 1243673862 /nfs/dbraw/zinc/67/38/62/1243673862.db2.gz TVWCCMZSYOZBFS-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN Cc1cc(NCCN(C)C(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001101810987 1246207034 /nfs/dbraw/zinc/20/70/34/1246207034.db2.gz FZSWTSCXDITYKZ-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000853232073 1292334405 /nfs/dbraw/zinc/33/44/05/1292334405.db2.gz RAPPSMGURMLRFD-GFCCVEGCSA-N 0 3 330.388 2.136 20 5 EEBDHN COc1cc(O[C@H]2CC[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218180494 1297591696 /nfs/dbraw/zinc/59/16/96/1297591696.db2.gz XWEPMHIJOSHGSU-VIFPVBQESA-N 0 3 343.335 2.107 20 5 EEBDHN Nc1ccc2n(C(=O)[C@H]3CCNC[C@@H]3F)c3ccccc3cc-2c1=O ZINC001219256720 1297965288 /nfs/dbraw/zinc/96/52/88/1297965288.db2.gz XKHDDQROWIGFSC-JSGCOSHPSA-N 0 3 339.370 2.276 20 5 EEBDHN O=c1ccc2[n+]([O-])c3ccc(O[C@@H]4CN5CCC4CC5)cc3oc-2c1 ZINC001227449139 1301833032 /nfs/dbraw/zinc/83/30/32/1301833032.db2.gz MJYWXXPEYOOVSZ-LJQANCHMSA-N 0 3 338.363 2.004 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001230101406 1303059428 /nfs/dbraw/zinc/05/94/28/1303059428.db2.gz LSMZYQBDAJWKJA-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001111869430 1304028586 /nfs/dbraw/zinc/02/85/86/1304028586.db2.gz QPFXBYSLGIBCLY-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1C ZINC001154585559 1317219042 /nfs/dbraw/zinc/21/90/42/1317219042.db2.gz YVLWFFWIRDGSOO-UHFFFAOYSA-N 0 3 330.388 2.151 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCNC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156098107 1317876298 /nfs/dbraw/zinc/87/62/98/1317876298.db2.gz OXMANXREYNJVNY-LLVKDONJSA-N 0 3 335.345 2.110 20 5 EEBDHN O=C(CCc1ccoc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156399977 1317995868 /nfs/dbraw/zinc/99/58/68/1317995868.db2.gz GVQKGBZVEVKZPD-UHFFFAOYSA-N 0 3 331.372 2.417 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(Cc3ccccn3)cn1)C2 ZINC001254585191 1318132497 /nfs/dbraw/zinc/13/24/97/1318132497.db2.gz BVZIWPRTAHIIAY-QGZVFWFLSA-N 0 3 349.394 2.492 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@](CO)(C(F)(F)F)C1)C2 ZINC001254593946 1318136408 /nfs/dbraw/zinc/13/64/08/1318136408.db2.gz OGWLHSRSANPZKV-ZIAGYGMSSA-N 0 3 330.306 2.309 20 5 EEBDHN COc1cc(C)nc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759303 1318841529 /nfs/dbraw/zinc/84/15/29/1318841529.db2.gz LMMVHUMEJNDHQF-AWEZNQCLSA-N 0 3 328.372 2.458 20 5 EEBDHN CCN(CC)CCNC(=N)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001163129442 1321044921 /nfs/dbraw/zinc/04/49/21/1321044921.db2.gz YDGYFANTVNVQBD-UHFFFAOYSA-N 0 3 330.392 2.421 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ncc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163645434 1321180000 /nfs/dbraw/zinc/18/00/00/1321180000.db2.gz VPQWZAJGDGSEMZ-GXTWGEPZSA-N 0 3 326.784 2.356 20 5 EEBDHN Cc1cc(CCC(=O)NCCCNCc2ccccc2[N+](=O)[O-])no1 ZINC001166415102 1321715511 /nfs/dbraw/zinc/71/55/11/1321715511.db2.gz HTAPBZNRVKKSAZ-UHFFFAOYSA-N 0 3 346.387 2.120 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001321004328 1332996077 /nfs/dbraw/zinc/99/60/77/1332996077.db2.gz JVAYILYYTFWXLS-HNNXBMFYSA-N 0 3 334.420 2.487 20 5 EEBDHN COc1cccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])N(C)C)c1 ZINC001326083309 1334024864 /nfs/dbraw/zinc/02/48/64/1334024864.db2.gz ZXNKDRDXLRUYDW-HNNXBMFYSA-N 0 3 330.388 2.444 20 5 EEBDHN CCOc1cc(CN2CCC3(CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC001330730412 1334892298 /nfs/dbraw/zinc/89/22/98/1334892298.db2.gz DOYQECUGSFKCCG-UHFFFAOYSA-N 0 3 333.388 2.096 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC001335062309 1336332534 /nfs/dbraw/zinc/33/25/34/1336332534.db2.gz PZMIZIPOMBZZAD-UHFFFAOYSA-N 0 3 330.392 2.047 20 5 EEBDHN CC([C@@H](OC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC001346536071 1337485949 /nfs/dbraw/zinc/48/59/49/1337485949.db2.gz VEXXFHLJTZLXGU-WDBKCZKBSA-N 0 3 338.335 2.086 20 5 EEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@H]2CCCN2)n1 ZINC001580493589 1344526154 /nfs/dbraw/zinc/52/61/54/1344526154.db2.gz IOTASPGRVIQPJT-BMWLXYDHSA-N 0 3 339.355 2.461 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589630103 1349013344 /nfs/dbraw/zinc/01/33/44/1349013344.db2.gz RAKFVNIHYCHKBN-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589630103 1349013347 /nfs/dbraw/zinc/01/33/47/1349013347.db2.gz RAKFVNIHYCHKBN-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN C[N@H+](CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CC1 ZINC001591065230 1349437463 /nfs/dbraw/zinc/43/74/63/1349437463.db2.gz IGWWJZQZLFTESW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CC1 ZINC001591065230 1349437467 /nfs/dbraw/zinc/43/74/67/1349437467.db2.gz IGWWJZQZLFTESW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@H+](CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CC1 ZINC001591065230 1349437470 /nfs/dbraw/zinc/43/74/70/1349437470.db2.gz IGWWJZQZLFTESW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CC1 ZINC001591065230 1349437472 /nfs/dbraw/zinc/43/74/72/1349437472.db2.gz IGWWJZQZLFTESW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723102 1351217829 /nfs/dbraw/zinc/21/78/29/1351217829.db2.gz ODRZJCJLRGDPHG-KGLIPLIRSA-N 0 3 345.407 2.224 20 5 EEBDHN Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723102 1351217831 /nfs/dbraw/zinc/21/78/31/1351217831.db2.gz ODRZJCJLRGDPHG-KGLIPLIRSA-N 0 3 345.407 2.224 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001607084062 1351411021 /nfs/dbraw/zinc/41/10/21/1351411021.db2.gz RXLQTRWHKDVRLH-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001607084062 1351411022 /nfs/dbraw/zinc/41/10/22/1351411022.db2.gz RXLQTRWHKDVRLH-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001607084062 1351411025 /nfs/dbraw/zinc/41/10/25/1351411025.db2.gz RXLQTRWHKDVRLH-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001607084062 1351411027 /nfs/dbraw/zinc/41/10/27/1351411027.db2.gz RXLQTRWHKDVRLH-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580670621 1403866557 /nfs/dbraw/zinc/86/65/57/1403866557.db2.gz JNUGNXGNIWDBKY-HNNXBMFYSA-N 0 3 329.331 2.178 20 5 EEBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000918573453 769229883 /nfs/dbraw/zinc/22/98/83/769229883.db2.gz BDIOBVYFZYRXHT-UHFFFAOYSA-N 0 3 334.420 2.123 20 5 EEBDHN CC1(C)CNCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818524389 785271633 /nfs/dbraw/zinc/27/16/33/785271633.db2.gz KCEQUXHRLMVOGU-UHFFFAOYSA-N 0 3 329.759 2.140 20 5 EEBDHN O=C1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979532 785348446 /nfs/dbraw/zinc/34/84/46/785348446.db2.gz PLLHODGAKZCTKN-RHSMWYFYSA-N 0 3 341.367 2.023 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccnc(OC(F)F)c2)c1 ZINC000819298032 785490299 /nfs/dbraw/zinc/49/02/99/785490299.db2.gz ARHBYWYJUURNGP-CYBMUJFWSA-N 0 3 339.298 2.414 20 5 EEBDHN CCN1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910278288 786609550 /nfs/dbraw/zinc/60/95/50/786609550.db2.gz CWCYIWCCWVXFRO-GFCCVEGCSA-N 0 3 335.404 2.468 20 5 EEBDHN CC([C@H](OC(=O)CCc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845876624 789972058 /nfs/dbraw/zinc/97/20/58/789972058.db2.gz PQCZVAAOTBIREF-ZBEGNZNMSA-N 0 3 335.335 2.442 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cnccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877721 789972350 /nfs/dbraw/zinc/97/23/50/789972350.db2.gz GGSRMAVFSCIOAA-BDJLRTHQSA-N 0 3 333.319 2.498 20 5 EEBDHN CC([C@H](OC(=O)CCc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878489 789972669 /nfs/dbraw/zinc/97/26/69/789972669.db2.gz GZEVYPWLIVKTIR-BZNIZROVSA-N 0 3 335.335 2.442 20 5 EEBDHN CC(C)(C)c1ocnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147130812 791693507 /nfs/dbraw/zinc/69/35/07/791693507.db2.gz HXPJZJJNCGYUKT-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@H](O)C(F)(F)F)c1F ZINC001173178138 797278015 /nfs/dbraw/zinc/27/80/15/797278015.db2.gz AIUFIFSLHOVXQC-HQJQHLMTSA-N 0 3 340.273 2.186 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ncccn2)C1 ZINC001173236688 797322325 /nfs/dbraw/zinc/32/23/25/797322325.db2.gz FBHXURRDULLSIM-CZUORRHYSA-N 0 3 328.372 2.469 20 5 EEBDHN O=C(CCc1cscn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177321993 798860714 /nfs/dbraw/zinc/86/07/14/798860714.db2.gz XCHZGNAEXPWYQM-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C(C)(C)C ZINC001180127466 800282998 /nfs/dbraw/zinc/28/29/98/800282998.db2.gz ZYRMAICKTQFWQZ-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000104186111 219357173 /nfs/dbraw/zinc/35/71/73/219357173.db2.gz RPZQHOTXQQKDBK-LLVKDONJSA-N 0 3 346.412 2.400 20 5 EEBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456046217 283248825 /nfs/dbraw/zinc/24/88/25/283248825.db2.gz FXPGNVDDPNEMOZ-UHFFFAOYSA-N 0 3 349.435 2.370 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000416303737 239172947 /nfs/dbraw/zinc/17/29/47/239172947.db2.gz SGIHKTQYVBBMQX-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000419012935 239399840 /nfs/dbraw/zinc/39/98/40/239399840.db2.gz XXTSXRFHFFMLOO-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN NC[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422863831 240263782 /nfs/dbraw/zinc/26/37/82/240263782.db2.gz SJODKOIAKXJNME-HNNXBMFYSA-N 0 3 339.370 2.288 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499064 243135873 /nfs/dbraw/zinc/13/58/73/243135873.db2.gz LELXHMUTIPPOBM-IUIKQTSFSA-N 0 3 335.404 2.491 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499066 243136741 /nfs/dbraw/zinc/13/67/41/243136741.db2.gz LELXHMUTIPPOBM-XFBWCDHKSA-N 0 3 335.404 2.491 20 5 EEBDHN CNc1nc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455558227 244027131 /nfs/dbraw/zinc/02/71/31/244027131.db2.gz UANWYYIOUMPILV-RYUDHWBXSA-N 0 3 335.408 2.024 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000266499851 248332958 /nfs/dbraw/zinc/33/29/58/248332958.db2.gz WVFKMTBGTGHKPC-HOTGVXAUSA-N 0 3 334.351 2.128 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261570 256042883 /nfs/dbraw/zinc/04/28/83/256042883.db2.gz WVFGZLJHRANNGB-TZMCWYRMSA-N 0 3 342.403 2.290 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270547005 256146770 /nfs/dbraw/zinc/14/67/70/256146770.db2.gz YVPQKMNZQZPADL-VOTDVEDPSA-N 0 3 335.429 2.112 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000273168385 256272269 /nfs/dbraw/zinc/27/22/69/256272269.db2.gz OONMAXPYXCCQRA-HOTGVXAUSA-N 0 3 346.383 2.048 20 5 EEBDHN CCC1(CC)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000274285884 256370702 /nfs/dbraw/zinc/37/07/02/256370702.db2.gz FDLKXKWJCLBESM-UHFFFAOYSA-N 0 3 325.434 2.364 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054647069 292140249 /nfs/dbraw/zinc/14/02/49/292140249.db2.gz RESJIHPKDMMFSL-AWEZNQCLSA-N 0 3 334.420 2.168 20 5 EEBDHN Cn1ccnc1[C@@H]1OCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000343380241 161130442 /nfs/dbraw/zinc/13/04/42/161130442.db2.gz ASLFWHFAIKLBJJ-RXBJYRPYSA-N 0 3 328.372 2.461 20 5 EEBDHN C[C@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCN1C ZINC000343607595 161150877 /nfs/dbraw/zinc/15/08/77/161150877.db2.gz VAJZXVZRNPZAHW-FZMZJTMJSA-N 0 3 332.404 2.382 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000360205568 164257232 /nfs/dbraw/zinc/25/72/32/164257232.db2.gz BSGJSPUFJHJJFG-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000360805067 164383540 /nfs/dbraw/zinc/38/35/40/164383540.db2.gz YWGTZUVHTGIQSZ-GFCCVEGCSA-N 0 3 345.403 2.188 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365073186 165370110 /nfs/dbraw/zinc/37/01/10/165370110.db2.gz QUVQYLKCELLONL-ZIAGYGMSSA-N 0 3 348.403 2.196 20 5 EEBDHN O=C1[C@H](N2CC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412642 167038068 /nfs/dbraw/zinc/03/80/68/167038068.db2.gz VFHUZHVSAMDVQM-CKEIUWERSA-N 0 3 345.399 2.059 20 5 EEBDHN CC(=O)c1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000376174280 167275965 /nfs/dbraw/zinc/27/59/65/167275965.db2.gz QMGLNHSTKZFDHZ-MRXNPFEDSA-N 0 3 346.431 2.014 20 5 EEBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000249045023 292649312 /nfs/dbraw/zinc/64/93/12/292649312.db2.gz VSUOSCWJSPHDPX-PVAVHDDUSA-N 0 3 347.415 2.198 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042631 268779335 /nfs/dbraw/zinc/77/93/35/268779335.db2.gz SIUOQBSNLTWIEB-OJDYBEQGSA-N 0 3 345.399 2.469 20 5 EEBDHN COc1ccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000272784287 269020965 /nfs/dbraw/zinc/02/09/65/269020965.db2.gz FLZGIFJZQLOYJK-GFCCVEGCSA-N 0 3 336.392 2.409 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000275258597 269105375 /nfs/dbraw/zinc/10/53/75/269105375.db2.gz RPXRYPMOGQYWPE-HIFRSBDPSA-N 0 3 337.376 2.089 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000278655665 269239793 /nfs/dbraw/zinc/23/97/93/269239793.db2.gz MURHJKPRDWPPSL-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000311094643 275041292 /nfs/dbraw/zinc/04/12/92/275041292.db2.gz ZNKIXGZZHMLBER-JKSUJKDBSA-N 0 3 339.399 2.343 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289320985 275109421 /nfs/dbraw/zinc/10/94/21/275109421.db2.gz BQJIXVGQIZHIAI-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000291640908 275325578 /nfs/dbraw/zinc/32/55/78/275325578.db2.gz BFDVQWZBSMXACT-CYBMUJFWSA-N 0 3 349.366 2.052 20 5 EEBDHN CCc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578661 276700420 /nfs/dbraw/zinc/70/04/20/276700420.db2.gz GIYQSQWXHLORFX-CABCVRRESA-N 0 3 332.408 2.361 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000164918146 311390100 /nfs/dbraw/zinc/39/01/00/311390100.db2.gz JDBRAFLSNRMSBT-WMLDXEAASA-N 0 3 349.431 2.437 20 5 EEBDHN Cc1c(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000334074172 312236527 /nfs/dbraw/zinc/23/65/27/312236527.db2.gz JOPOTJJFEARLFA-DOMZBBRYSA-N 0 3 334.420 2.385 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621262 315088810 /nfs/dbraw/zinc/08/88/10/315088810.db2.gz CAPPDZGSJCTVFI-RRFJBIMHSA-N 0 3 333.388 2.103 20 5 EEBDHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000496858360 316302704 /nfs/dbraw/zinc/30/27/04/316302704.db2.gz XAGCFJLQKADYTC-JSGCOSHPSA-N 0 3 338.360 2.146 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000541019755 318090821 /nfs/dbraw/zinc/09/08/21/318090821.db2.gz JYCZWTFRYBQINT-GFCCVEGCSA-N 0 3 344.293 2.133 20 5 EEBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000541348541 318097412 /nfs/dbraw/zinc/09/74/12/318097412.db2.gz BYMSDKYCMXSHDT-JHJVBQTASA-N 0 3 326.418 2.160 20 5 EEBDHN Cc1c(NC(=O)CCNC(C)(C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000546705212 318262363 /nfs/dbraw/zinc/26/23/63/318262363.db2.gz QEFLTYHRPBVUDD-UHFFFAOYSA-N 0 3 345.403 2.490 20 5 EEBDHN C[C@@H]1NCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000565481841 319186662 /nfs/dbraw/zinc/18/66/62/319186662.db2.gz IAURUDRTXOBHCN-KBPBESRZSA-N 0 3 346.431 2.020 20 5 EEBDHN CN(CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567726088 319411581 /nfs/dbraw/zinc/41/15/81/319411581.db2.gz YOZUTKVJJSXQON-MRXNPFEDSA-N 0 3 345.399 2.061 20 5 EEBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000580480474 324072364 /nfs/dbraw/zinc/07/23/64/324072364.db2.gz YCTDFVYEKVFJSX-LLVKDONJSA-N 0 3 344.371 2.063 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@@H]2CNCc2ccccc2[N+](=O)[O-])cn1 ZINC000354836071 465181749 /nfs/dbraw/zinc/18/17/49/465181749.db2.gz AQENZCXAOAUWOW-JKSUJKDBSA-N 0 3 347.394 2.031 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000534713100 468274830 /nfs/dbraw/zinc/27/48/30/468274830.db2.gz AWGWZDLRUFYZBY-INIZCTEOSA-N 0 3 332.404 2.017 20 5 EEBDHN COCCCN1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578933727 468279129 /nfs/dbraw/zinc/27/91/29/468279129.db2.gz WZHJVTWRMIRPLC-AWEZNQCLSA-N 0 3 349.431 2.315 20 5 EEBDHN CO[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128492958 462645101 /nfs/dbraw/zinc/64/51/01/462645101.db2.gz QNXHGWVALCQNSK-LBPRGKRZSA-N 0 3 325.340 2.173 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115442293 462715250 /nfs/dbraw/zinc/71/52/50/462715250.db2.gz NRYARMOICHERSX-CYBMUJFWSA-N 0 3 334.420 2.075 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2)CCOCC1 ZINC000535623831 468316563 /nfs/dbraw/zinc/31/65/63/468316563.db2.gz CDOAMGRUKZGFIM-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN CN(CCCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090516931 462794885 /nfs/dbraw/zinc/79/48/85/462794885.db2.gz DQRRCTPEAZBVRL-UHFFFAOYSA-N 0 3 349.362 2.297 20 5 EEBDHN Cc1c(CN2CCC(CN3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000051959971 463055188 /nfs/dbraw/zinc/05/51/88/463055188.db2.gz YMZIGJOODCCBOQ-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000590776656 468336061 /nfs/dbraw/zinc/33/60/61/468336061.db2.gz YESSFWOTJIKNHS-SLEUVZQESA-N 0 3 335.429 2.238 20 5 EEBDHN CC(C)N1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000068778031 463172874 /nfs/dbraw/zinc/17/28/74/463172874.db2.gz VDTJTUFNDRCGSO-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000027118747 463180915 /nfs/dbraw/zinc/18/09/15/463180915.db2.gz BNPWOKOFXHTLBI-AWEZNQCLSA-N 0 3 346.431 2.482 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000032400699 463375085 /nfs/dbraw/zinc/37/50/85/463375085.db2.gz VUPLZRIZOWLFST-UHFFFAOYSA-N 0 3 342.399 2.112 20 5 EEBDHN CN(C)CCN(CCCc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000081018844 463382769 /nfs/dbraw/zinc/38/27/69/463382769.db2.gz REYZCSDSUJYYHY-UHFFFAOYSA-N 0 3 331.420 2.329 20 5 EEBDHN CN1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108330463 463598117 /nfs/dbraw/zinc/59/81/17/463598117.db2.gz GJVTWEWNJSXRSQ-CQSZACIVSA-N 0 3 346.431 2.267 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000126130993 463607986 /nfs/dbraw/zinc/60/79/86/463607986.db2.gz DIDDDTZGESUTFI-STQMWFEESA-N 0 3 337.445 2.486 20 5 EEBDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000177669154 463761584 /nfs/dbraw/zinc/76/15/84/463761584.db2.gz RTJCPZFWHWGUPD-ZUZCIYMTSA-N 0 3 329.312 2.465 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000287184695 463826309 /nfs/dbraw/zinc/82/63/09/463826309.db2.gz TYUJLDUJDCNBEP-ZFWWWQNUSA-N 0 3 346.431 2.404 20 5 EEBDHN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000262196274 463970344 /nfs/dbraw/zinc/97/03/44/463970344.db2.gz KBFCLAJGKXBURC-LSDHHAIUSA-N 0 3 341.367 2.170 20 5 EEBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262344823 464007077 /nfs/dbraw/zinc/00/70/77/464007077.db2.gz UUBALJKPPXDOBE-CYBMUJFWSA-N 0 3 349.840 2.290 20 5 EEBDHN C[C@H](c1ccccc1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248609 464172765 /nfs/dbraw/zinc/17/27/65/464172765.db2.gz QSEMKERZRKKXEX-CXAGYDPISA-N 0 3 343.383 2.221 20 5 EEBDHN CSC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276713 464182258 /nfs/dbraw/zinc/18/22/58/464182258.db2.gz BLODZKXLVMTDFR-DZGCQCFKSA-N 0 3 340.445 2.410 20 5 EEBDHN Cc1c([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987405 464219732 /nfs/dbraw/zinc/21/97/32/464219732.db2.gz AHCUQGVQPKVTEO-ZIAGYGMSSA-N 0 3 336.388 2.476 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272138111 464493626 /nfs/dbraw/zinc/49/36/26/464493626.db2.gz ASKSJZQOHGQPCN-WBMJQRKESA-N 0 3 333.388 2.302 20 5 EEBDHN CCCN(CCN1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285372754 464540903 /nfs/dbraw/zinc/54/09/03/464540903.db2.gz CGAVDNJLLHVIIL-UHFFFAOYSA-N 0 3 348.447 2.392 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272293756 464551968 /nfs/dbraw/zinc/55/19/68/464551968.db2.gz BVSZEYUSXRNRRS-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(N(C)C)CCC2)c1 ZINC000281725481 464561276 /nfs/dbraw/zinc/56/12/76/464561276.db2.gz XEUWPKFAIKCPJA-UHFFFAOYSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000265781505 464684891 /nfs/dbraw/zinc/68/48/91/464684891.db2.gz KDAOBDOFOLRHJU-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183290372 464843111 /nfs/dbraw/zinc/84/31/11/464843111.db2.gz YZXGSKWAMJNOIB-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN C[C@H](CO)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000276507137 464960354 /nfs/dbraw/zinc/96/03/54/464960354.db2.gz DIRPIHDQFUDRIL-CYBMUJFWSA-N 0 3 347.415 2.109 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000282882608 464987061 /nfs/dbraw/zinc/98/70/61/464987061.db2.gz RHIMRILIVIKAIR-DOMZBBRYSA-N 0 3 335.404 2.452 20 5 EEBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000192795711 464999045 /nfs/dbraw/zinc/99/90/45/464999045.db2.gz JYTNLKKQPJDIGY-UONOGXRCSA-N 0 3 344.415 2.343 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](CN2CCOCC2)C1 ZINC000254991280 465021606 /nfs/dbraw/zinc/02/16/06/465021606.db2.gz GHOZQYHWDLAGPK-IMMZDGJCSA-N 0 3 331.416 2.262 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000299106423 465606057 /nfs/dbraw/zinc/60/60/57/465606057.db2.gz VTFCIOIFHVQSDD-KBPBESRZSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344628753 465734000 /nfs/dbraw/zinc/73/40/00/465734000.db2.gz ATHOGDNVOOEKDY-HNNXBMFYSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000338056452 465786287 /nfs/dbraw/zinc/78/62/87/465786287.db2.gz HLRJNPJDXRKSGA-AWEZNQCLSA-N 0 3 332.404 2.015 20 5 EEBDHN CNC(=O)CCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353455176 465896383 /nfs/dbraw/zinc/89/63/83/465896383.db2.gz PNPUKKLZDFRISN-UHFFFAOYSA-N 0 3 347.371 2.431 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068750 466366403 /nfs/dbraw/zinc/36/64/03/466366403.db2.gz OPIXADIXPKXTEF-OCCSQVGLSA-N 0 3 328.372 2.488 20 5 EEBDHN Cc1cc(N2CCN([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363665416 466545271 /nfs/dbraw/zinc/54/52/71/466545271.db2.gz NIZFWFFCAIRDLJ-HNNXBMFYSA-N 0 3 342.399 2.362 20 5 EEBDHN CC(C)(C)OC(=O)[C@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000362106243 466560538 /nfs/dbraw/zinc/56/05/38/466560538.db2.gz LKOICGQORQEVMT-UGAXZCSASA-N 0 3 336.388 2.290 20 5 EEBDHN Cc1cc(F)ccc1[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976551 467292794 /nfs/dbraw/zinc/29/27/94/467292794.db2.gz YORXCMMQYZHUNR-WBVHZDCISA-N 0 3 348.378 2.437 20 5 EEBDHN CN(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccccc1 ZINC000430102322 467398953 /nfs/dbraw/zinc/39/89/53/467398953.db2.gz ADXPWCRDOABYNZ-UHFFFAOYSA-N 0 3 339.351 2.323 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)cc1C ZINC000420441427 467409618 /nfs/dbraw/zinc/40/96/18/467409618.db2.gz IMRRQLVXMCIHBN-ZDUSSCGKSA-N 0 3 341.433 2.022 20 5 EEBDHN CNC(=O)NC1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000414539452 467419666 /nfs/dbraw/zinc/41/96/66/467419666.db2.gz DRMGKCWFFSPSHQ-JLHYYAGUSA-N 0 3 332.404 2.392 20 5 EEBDHN Cc1nn(C)c(C(=O)Nc2ccc(CN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458285840 467803537 /nfs/dbraw/zinc/80/35/37/467803537.db2.gz OECPHDTWOIWHCB-UHFFFAOYSA-N 0 3 331.376 2.259 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648876 468091980 /nfs/dbraw/zinc/09/19/80/468091980.db2.gz MFSFWVRIWXMTOP-DZGCQCFKSA-N 0 3 342.399 2.499 20 5 EEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CCCC1 ZINC000533505098 468207624 /nfs/dbraw/zinc/20/76/24/468207624.db2.gz LXHGTPYNCWFVGW-KRWDZBQOSA-N 0 3 347.415 2.497 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000550618724 468220544 /nfs/dbraw/zinc/22/05/44/468220544.db2.gz GDQRXQHCGKAJMM-GFCCVEGCSA-N 0 3 330.388 2.077 20 5 EEBDHN CCOC(=O)Cc1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000591928280 468573563 /nfs/dbraw/zinc/57/35/63/468573563.db2.gz MRYUJCYWQCUZSW-UHFFFAOYSA-N 0 3 333.388 2.374 20 5 EEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1F)[C@@]1(O)CCCOC1 ZINC000594997363 468740973 /nfs/dbraw/zinc/74/09/73/468740973.db2.gz WPSLCNNPRNFRSE-MRXNPFEDSA-N 0 3 326.368 2.391 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598261887 468810017 /nfs/dbraw/zinc/81/00/17/468810017.db2.gz HNOIXDHTDCCPMQ-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000598342568 468836864 /nfs/dbraw/zinc/83/68/64/468836864.db2.gz KZQJXNUJEWAFPT-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000595535549 468891829 /nfs/dbraw/zinc/89/18/29/468891829.db2.gz HGTSVIUDOCJANC-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569226 468917983 /nfs/dbraw/zinc/91/79/83/468917983.db2.gz BXDWEQINBSPZPI-HNNXBMFYSA-N 0 3 333.388 2.014 20 5 EEBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602644074 468984213 /nfs/dbraw/zinc/98/42/13/468984213.db2.gz KHHIZERHUWVISP-CYBMUJFWSA-N 0 3 331.294 2.311 20 5 EEBDHN Cc1cc(NCC[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593517656 469013179 /nfs/dbraw/zinc/01/31/79/469013179.db2.gz CWVIZRSQEJVFIM-KRWDZBQOSA-N 0 3 331.372 2.217 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCCOC(C)C)CC1 ZINC000602837241 469108347 /nfs/dbraw/zinc/10/83/47/469108347.db2.gz KBPPRIATMBDIQD-UHFFFAOYSA-N 0 3 340.424 2.006 20 5 EEBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)nc1 ZINC000596441788 469266805 /nfs/dbraw/zinc/26/68/05/469266805.db2.gz QKEQINMZXZOFPO-UHFFFAOYSA-N 0 3 327.388 2.709 20 5 EEBDHN CC(=O)NC[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599704240 469344776 /nfs/dbraw/zinc/34/47/76/469344776.db2.gz RXXBTUJTANZRTI-MRXNPFEDSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@H]1COCCN1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602595104 469377897 /nfs/dbraw/zinc/37/78/97/469377897.db2.gz WEAWTVQJNSGHMN-NSHDSACASA-N 0 3 347.337 2.424 20 5 EEBDHN CC(C)[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000617101466 469593570 /nfs/dbraw/zinc/59/35/70/469593570.db2.gz BREIYMFULHQQSR-HNNXBMFYSA-N 0 3 335.404 2.138 20 5 EEBDHN COc1c(C(=O)N2CCCC23CCN(C)CC3)cccc1[N+](=O)[O-] ZINC000619441512 469606243 /nfs/dbraw/zinc/60/62/43/469606243.db2.gz QJNXNNLRZFDKEO-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609383103 469923730 /nfs/dbraw/zinc/92/37/30/469923730.db2.gz JEXMCPLTJZVACC-GFCCVEGCSA-N 0 3 328.372 2.290 20 5 EEBDHN CC1CCC(O)(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000610216399 469988975 /nfs/dbraw/zinc/98/89/75/469988975.db2.gz GMKQTVAICIMHEN-UHFFFAOYSA-N 0 3 334.420 2.053 20 5 EEBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000602538857 485641243 /nfs/dbraw/zinc/64/12/43/485641243.db2.gz YRXSLXDRBWRFNL-UHFFFAOYSA-N 0 3 327.384 2.086 20 5 EEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188262311 528450219 /nfs/dbraw/zinc/45/02/19/528450219.db2.gz FFWSZWCKTQYSJM-UHFFFAOYSA-N 0 3 341.433 2.091 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451777226 535543239 /nfs/dbraw/zinc/54/32/39/535543239.db2.gz VWCBBSISWVFGPH-OLZOCXBDSA-N 0 3 349.387 2.163 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nnc2ccccn21 ZINC000725842010 576061701 /nfs/dbraw/zinc/06/17/01/576061701.db2.gz WAWBIKOHWFWNPY-UHFFFAOYSA-N 0 3 341.371 2.369 20 5 EEBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580286 577463157 /nfs/dbraw/zinc/46/31/57/577463157.db2.gz SFJJGJDLNGBKPN-WBVHZDCISA-N 0 3 349.431 2.257 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000776590542 577463579 /nfs/dbraw/zinc/46/35/79/577463579.db2.gz HEFKPHSKALLHOK-XYPHTWIQSA-N 0 3 330.388 2.408 20 5 EEBDHN CN(CC(F)F)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591881 577463698 /nfs/dbraw/zinc/46/36/98/577463698.db2.gz QSMDULHUZUZKKP-HNNXBMFYSA-N 0 3 343.374 2.290 20 5 EEBDHN COc1ccc([C@@H](CCO)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606363 577464162 /nfs/dbraw/zinc/46/41/62/577464162.db2.gz VTZGTVBUQCOKPD-MSOLQXFVSA-N 0 3 346.383 2.350 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766145986 577513795 /nfs/dbraw/zinc/51/37/95/577513795.db2.gz DNPQUTZYDNAVHK-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735472093 578154972 /nfs/dbraw/zinc/15/49/72/578154972.db2.gz HJLHYHLMQJDYFO-CQSZACIVSA-N 0 3 327.812 2.493 20 5 EEBDHN Cn1c2ccccc2c(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892420238 679771049 /nfs/dbraw/zinc/77/10/49/679771049.db2.gz NRPMRYJPACXKRC-ZDUSSCGKSA-N 0 3 342.399 2.343 20 5 EEBDHN O=C(Cc1ccoc1)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000983529144 682776821 /nfs/dbraw/zinc/77/68/21/682776821.db2.gz NNUGQUFGBBFHBF-MQMHXKEQSA-N 0 3 349.412 2.476 20 5 EEBDHN C[C@@H](C(=O)N[C@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777218 683032789 /nfs/dbraw/zinc/03/27/89/683032789.db2.gz INRNLZUGMFPWRC-PIGZYNQJSA-N 0 3 335.379 2.438 20 5 EEBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000893044556 683635052 /nfs/dbraw/zinc/63/50/52/683635052.db2.gz KHPQYRODLZNOTC-WDEREUQCSA-N 0 3 330.381 2.088 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccc3c2OCCO3)c1 ZINC000905702677 1189873615 /nfs/dbraw/zinc/87/36/15/1189873615.db2.gz DPRVIVSFTYKMLI-HNNXBMFYSA-N 0 3 330.340 2.189 20 5 EEBDHN CC(C)c1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001131986443 1199172088 /nfs/dbraw/zinc/17/20/88/1199172088.db2.gz SYIFKJBKOQMIMR-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN O=C(Cc1cccc(F)c1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134401045 1199534191 /nfs/dbraw/zinc/53/41/91/1199534191.db2.gz VEINGORKEFCLLZ-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccccc2)n1)[N+](=O)[O-] ZINC000813099956 1201096207 /nfs/dbraw/zinc/09/62/07/1201096207.db2.gz IHCOFOKKFMCYRI-SNVBAGLBSA-N 0 3 349.368 2.146 20 5 EEBDHN COc1ccc2c(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(=O)oc2c1 ZINC000813107483 1201118692 /nfs/dbraw/zinc/11/86/92/1201118692.db2.gz OOMAZJXNRSVDIR-SNVBAGLBSA-N 0 3 349.339 2.251 20 5 EEBDHN CC(COC(=O)c1cnn2c1nccc2-c1ccccc1)[N+](=O)[O-] ZINC000813113298 1201123703 /nfs/dbraw/zinc/12/37/03/1201123703.db2.gz PDGFRIWGTHQBBO-NSHDSACASA-N 0 3 326.312 2.218 20 5 EEBDHN CCN1CCN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000008318139 1205645716 /nfs/dbraw/zinc/64/57/16/1205645716.db2.gz QPQMUXXUPFPQSG-UHFFFAOYSA-N 0 3 330.392 2.214 20 5 EEBDHN CCN(CCCNC(=O)Cc1nc[nH]c1C)c1ccc([N+](=O)[O-])cc1 ZINC001095899797 1215748385 /nfs/dbraw/zinc/74/83/85/1215748385.db2.gz TVOHSEDPYGXXLN-UHFFFAOYSA-N 0 3 345.403 2.202 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccccc1O ZINC001019992091 1229432712 /nfs/dbraw/zinc/43/27/12/1229432712.db2.gz VYNWMZJRMMPPKM-HAQNSBGRSA-N 0 3 347.396 2.413 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097029676 1243636471 /nfs/dbraw/zinc/63/64/71/1243636471.db2.gz HIQSATHIFBNSCL-HDJSIYSDSA-N 0 3 334.420 2.304 20 5 EEBDHN CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218017639 1297549764 /nfs/dbraw/zinc/54/97/64/1297549764.db2.gz WSOJMKSADMVXHB-CABZTGNLSA-N 0 3 327.312 2.489 20 5 EEBDHN C[C@@]1(CO)CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219476 1304041315 /nfs/dbraw/zinc/04/13/15/1304041315.db2.gz URJRNUQAVSOUQY-XLIONFOSSA-N 0 3 337.423 2.348 20 5 EEBDHN COc1nc(C)nc(-n2c3ccccc3nc2[C@@H](C)N)c1[N+](=O)[O-] ZINC001162759029 1320951700 /nfs/dbraw/zinc/95/17/00/1320951700.db2.gz NUMKALRSXQEIBY-MRVPVSSYSA-N 0 3 328.332 2.060 20 5 EEBDHN CN1CCN(Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001203575977 1321915339 /nfs/dbraw/zinc/91/53/39/1321915339.db2.gz MWUMGGMAXOWWDX-UHFFFAOYSA-N 0 3 327.388 2.481 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001310519175 1331694555 /nfs/dbraw/zinc/69/45/55/1331694555.db2.gz NFLNPJJVFPWFGU-CQSZACIVSA-N 0 3 343.387 2.145 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589134240 1348962905 /nfs/dbraw/zinc/96/29/05/1348962905.db2.gz LNOKAUHACWIJOL-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589134240 1348962908 /nfs/dbraw/zinc/96/29/08/1348962908.db2.gz LNOKAUHACWIJOL-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589134240 1348962911 /nfs/dbraw/zinc/96/29/11/1348962911.db2.gz LNOKAUHACWIJOL-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589134240 1348962916 /nfs/dbraw/zinc/96/29/16/1348962916.db2.gz LNOKAUHACWIJOL-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001607083803 1351410911 /nfs/dbraw/zinc/41/09/11/1351410911.db2.gz NOKUQTTVLYDMSC-LLVKDONJSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC001607083803 1351410914 /nfs/dbraw/zinc/41/09/14/1351410914.db2.gz NOKUQTTVLYDMSC-LLVKDONJSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001607083803 1351410915 /nfs/dbraw/zinc/41/09/15/1351410915.db2.gz NOKUQTTVLYDMSC-LLVKDONJSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC001607083803 1351410918 /nfs/dbraw/zinc/41/09/18/1351410918.db2.gz NOKUQTTVLYDMSC-LLVKDONJSA-N 0 3 340.343 2.357 20 5 EEBDHN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091502 1371273992 /nfs/dbraw/zinc/27/39/92/1371273992.db2.gz JVFVLWFLNQALDD-YOEHRIQHSA-N 0 3 332.356 2.172 20 5 EEBDHN CC(COC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000847714003 1373002187 /nfs/dbraw/zinc/00/21/87/1373002187.db2.gz HTNFZHKIDQCEPL-XHBSWPGZSA-N 0 3 342.392 2.232 20 5 EEBDHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC001751975854 1406157109 /nfs/dbraw/zinc/15/71/09/1406157109.db2.gz XLANQGCKGIDLBL-TZMCWYRMSA-N 0 3 343.786 2.082 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001167366125 758151796 /nfs/dbraw/zinc/15/17/96/758151796.db2.gz WZYKXPRBMQVLOA-UHFFFAOYSA-N 0 3 330.388 2.449 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001100543021 759985740 /nfs/dbraw/zinc/98/57/40/759985740.db2.gz LIIRGTWCDLZHDV-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091380359 790512697 /nfs/dbraw/zinc/51/26/97/790512697.db2.gz PSQQAQUHJAYIOQ-BETUJISGSA-N 0 3 349.435 2.027 20 5 EEBDHN CO[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819069423 785411961 /nfs/dbraw/zinc/41/19/61/785411961.db2.gz PEBJPOHEWBAAJI-NSHDSACASA-N 0 3 335.282 2.090 20 5 EEBDHN COC(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819372908 785537687 /nfs/dbraw/zinc/53/76/87/785537687.db2.gz HFPURVDPUCAKLS-CYBMUJFWSA-N 0 3 336.369 2.266 20 5 EEBDHN CC(C)n1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001170951568 786017462 /nfs/dbraw/zinc/01/74/62/786017462.db2.gz KIXKNFCVJBMVJY-UHFFFAOYSA-N 0 3 345.403 2.282 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107279873 786698482 /nfs/dbraw/zinc/69/84/82/786698482.db2.gz DXUJCXPBRLUJHD-SNAWJCMRSA-N 0 3 338.383 2.160 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC1 ZINC000823120332 787576212 /nfs/dbraw/zinc/57/62/12/787576212.db2.gz ICDOQLLWKJETNP-LLVKDONJSA-N 0 3 338.383 2.014 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110159042 796341124 /nfs/dbraw/zinc/34/11/24/796341124.db2.gz WZIAQEQGPQUMCB-UHFFFAOYSA-N 0 3 338.383 2.135 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110158525 796352250 /nfs/dbraw/zinc/35/22/50/796352250.db2.gz JSUMRTHUBLGXHG-UHFFFAOYSA-N 0 3 338.383 2.135 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2COC(C)(C)OC2)c1F ZINC001173188976 797281050 /nfs/dbraw/zinc/28/10/50/797281050.db2.gz MOWGJKSMMSGYBV-SNVBAGLBSA-N 0 3 342.367 2.415 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CN(C)C3)C2)c1F ZINC001173193338 797282484 /nfs/dbraw/zinc/28/24/84/797282484.db2.gz REKJZXFMMYOEOY-LBPRGKRZSA-N 0 3 337.395 2.311 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011088 803570776 /nfs/dbraw/zinc/57/07/76/803570776.db2.gz IGOTZMLFKBZOSL-MQYQWHSLSA-N 0 3 325.409 2.125 20 5 EEBDHN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000792309265 809703380 /nfs/dbraw/zinc/70/33/80/809703380.db2.gz YCOIJUMWVUEXRH-UHFFFAOYSA-N 0 3 349.343 2.421 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC001129492416 810874713 /nfs/dbraw/zinc/87/47/13/810874713.db2.gz YRTLFMOMBASRJX-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN O=C(COC1CCCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130683931 811943008 /nfs/dbraw/zinc/94/30/08/811943008.db2.gz ILJDUSAVXVWORL-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193068933 237366178 /nfs/dbraw/zinc/36/61/78/237366178.db2.gz VSUOSCWJSPHDPX-UAGQMJEPSA-N 0 3 347.415 2.198 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245612998 243136633 /nfs/dbraw/zinc/13/66/33/243136633.db2.gz CEJVRMOLBNWXOX-YVEFUNNKSA-N 0 3 344.415 2.417 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](OC)C12CCC2 ZINC000459764432 245239270 /nfs/dbraw/zinc/23/92/70/245239270.db2.gz ONUPXJZADPDSEN-CABCVRRESA-N 0 3 349.387 2.089 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCSC1 ZINC000492090501 246297453 /nfs/dbraw/zinc/29/74/53/246297453.db2.gz BKOSUGIJDKSAEW-PTZVLDCSSA-N 0 3 335.429 2.162 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266429996 248297559 /nfs/dbraw/zinc/29/75/59/248297559.db2.gz UETHXPAUZCIOLX-CYBMUJFWSA-N 0 3 348.403 2.329 20 5 EEBDHN CN(C)[C@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCSC1 ZINC000267081589 256025563 /nfs/dbraw/zinc/02/55/63/256025563.db2.gz KNAHEXDMBFBWAC-LBPRGKRZSA-N 0 3 327.435 2.153 20 5 EEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1Cc1ccccc1 ZINC000268137706 256117536 /nfs/dbraw/zinc/11/75/36/256117536.db2.gz JVGBSBLQESMCRK-AAEUAGOBSA-N 0 3 328.376 2.042 20 5 EEBDHN CC(C)[C@H](CCO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042157 256348269 /nfs/dbraw/zinc/34/82/69/256348269.db2.gz OPEJTSSPHVUFCA-LBPRGKRZSA-N 0 3 329.784 2.183 20 5 EEBDHN COCCN1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000119368684 221305579 /nfs/dbraw/zinc/30/55/79/221305579.db2.gz POOFZNXMYWOCNS-UHFFFAOYSA-N 0 3 327.356 2.265 20 5 EEBDHN CCC1(CC)[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000090559563 292219480 /nfs/dbraw/zinc/21/94/80/292219480.db2.gz FPHGMLAWTUURQA-CABCVRRESA-N 0 3 337.420 2.282 20 5 EEBDHN CC1CCN(C[C@@H](O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153744921 159681344 /nfs/dbraw/zinc/68/13/44/159681344.db2.gz SEPFPDPXYWEJHT-LBPRGKRZSA-N 0 3 328.800 2.148 20 5 EEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768020 160082181 /nfs/dbraw/zinc/08/21/81/160082181.db2.gz YIHGZFFLCPROGB-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000341948128 161026513 /nfs/dbraw/zinc/02/65/13/161026513.db2.gz RKHBUQDPLXNYNS-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN CC(=O)c1cc(NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000342214870 161048122 /nfs/dbraw/zinc/04/81/22/161048122.db2.gz YUWSOYAAFWLAJM-OAHLLOKOSA-N 0 3 335.404 2.302 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000345017029 161264083 /nfs/dbraw/zinc/26/40/83/161264083.db2.gz RMLTUFFUZLXRCH-ZIAGYGMSSA-N 0 3 335.404 2.271 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346458168 161374129 /nfs/dbraw/zinc/37/41/29/161374129.db2.gz DMTZRFGVSVQIEG-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352803241 162294087 /nfs/dbraw/zinc/29/40/87/162294087.db2.gz YGDXLWGCBKHDCT-GWCFXTLKSA-N 0 3 339.417 2.273 20 5 EEBDHN C[C@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375700826 167177984 /nfs/dbraw/zinc/17/79/84/167177984.db2.gz JQFACSBHGUYEEK-LBPRGKRZSA-N 0 3 333.388 2.471 20 5 EEBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375989117 167240936 /nfs/dbraw/zinc/24/09/36/167240936.db2.gz PXCAKIWZAAFJJH-KEYYUXOJSA-N 0 3 334.420 2.461 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCCC1 ZINC000160160926 292588094 /nfs/dbraw/zinc/58/80/94/292588094.db2.gz VOPYABVHMOSMSS-ZDUSSCGKSA-N 0 3 341.433 2.089 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184111 269335636 /nfs/dbraw/zinc/33/56/36/269335636.db2.gz AJSOKZCKOUBRIU-NWANDNLSSA-N 0 3 338.404 2.289 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824236 269392707 /nfs/dbraw/zinc/39/27/07/269392707.db2.gz KHCNTJCVNUIDJY-YPMHNXCESA-N 0 3 341.358 2.277 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000193263801 274056829 /nfs/dbraw/zinc/05/68/29/274056829.db2.gz HBWUIBHHLZZVTO-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN CCN(C)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272509398 274174582 /nfs/dbraw/zinc/17/45/82/274174582.db2.gz WTKLWHVHBHVPEZ-UHFFFAOYSA-N 0 3 347.362 2.289 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000275498360 274254006 /nfs/dbraw/zinc/25/40/06/274254006.db2.gz QPBJNMALHLLQSZ-OAHLLOKOSA-N 0 3 335.404 2.325 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277272936 274279628 /nfs/dbraw/zinc/27/96/28/274279628.db2.gz SBUHZXDOCKVNGU-CYBMUJFWSA-N 0 3 336.392 2.217 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000287254521 274948741 /nfs/dbraw/zinc/94/87/41/274948741.db2.gz RERWYZQJOLJTSZ-LBPRGKRZSA-N 0 3 328.372 2.337 20 5 EEBDHN CC(C)(NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292147822 275384308 /nfs/dbraw/zinc/38/43/08/275384308.db2.gz NDRNPZKDZURLEV-GFCCVEGCSA-N 0 3 326.418 2.244 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1OCCc2sccc21 ZINC000292404338 275422609 /nfs/dbraw/zinc/42/26/09/275422609.db2.gz LNRNCFWNMHXEKG-BZNIZROVSA-N 0 3 349.412 2.110 20 5 EEBDHN C[C@](O)(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573912 280143819 /nfs/dbraw/zinc/14/38/19/280143819.db2.gz JOHIQEKWSKLQFR-SCVCMEIPSA-N 0 3 336.314 2.178 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178979938 281262119 /nfs/dbraw/zinc/26/21/19/281262119.db2.gz YBBHVCVKIZCWPK-SWLSCSKDSA-N 0 3 341.433 2.089 20 5 EEBDHN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116371961 289180211 /nfs/dbraw/zinc/18/02/11/289180211.db2.gz IFTNWKSXIQMPHY-CQSZACIVSA-N 0 3 343.449 2.240 20 5 EEBDHN Cn1ncc(CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000292978315 293093373 /nfs/dbraw/zinc/09/33/73/293093373.db2.gz MUAPAXWOWLJXSI-UHFFFAOYSA-N 0 3 341.318 2.047 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000293127839 293132904 /nfs/dbraw/zinc/13/29/04/293132904.db2.gz RWWWSKKRQRSMMF-INIZCTEOSA-N 0 3 335.404 2.228 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293808034 293300129 /nfs/dbraw/zinc/30/01/29/293300129.db2.gz AMYCGIUQEUFKBY-QGZVFWFLSA-N 0 3 343.387 2.029 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069299 293885003 /nfs/dbraw/zinc/88/50/03/293885003.db2.gz PKHNYTRHYKCLFF-ZTFRIQLXSA-N 0 3 347.415 2.133 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000296810481 294073140 /nfs/dbraw/zinc/07/31/40/294073140.db2.gz RJLKFXPNXAWSCF-SWLSCSKDSA-N 0 3 344.367 2.317 20 5 EEBDHN CC(C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000332641637 312038849 /nfs/dbraw/zinc/03/88/49/312038849.db2.gz VZXRWCZRFLKYMM-KRWDZBQOSA-N 0 3 346.431 2.385 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN(CCO)[C@H]2CCCSC2)c1 ZINC000439007927 315063248 /nfs/dbraw/zinc/06/32/48/315063248.db2.gz VYBRJHZYDAYMIN-AWEZNQCLSA-N 0 3 326.418 2.164 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444624043 315312269 /nfs/dbraw/zinc/31/22/69/315312269.db2.gz VDJODDIHAKSJMV-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000541982689 318119847 /nfs/dbraw/zinc/11/98/47/318119847.db2.gz HFKXOOBAYPCZLE-INIZCTEOSA-N 0 3 335.404 2.373 20 5 EEBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414468 318387141 /nfs/dbraw/zinc/38/71/41/318387141.db2.gz GBMAZXPGSSSGSP-LLVKDONJSA-N 0 3 349.416 2.021 20 5 EEBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000566791354 319321301 /nfs/dbraw/zinc/32/13/01/319321301.db2.gz ABJKJMGBCFHHSM-UHFFFAOYSA-N 0 3 330.344 2.117 20 5 EEBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577692466 320269573 /nfs/dbraw/zinc/26/95/73/320269573.db2.gz SJVBNCVZSCRTLA-MRXNPFEDSA-N 0 3 331.416 2.374 20 5 EEBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577692465 320269675 /nfs/dbraw/zinc/26/96/75/320269675.db2.gz SJVBNCVZSCRTLA-INIZCTEOSA-N 0 3 331.416 2.374 20 5 EEBDHN CC[C@H](C)[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316779 320307212 /nfs/dbraw/zinc/30/72/12/320307212.db2.gz LXDHXDIQCQAZKW-SWLSCSKDSA-N 0 3 344.433 2.019 20 5 EEBDHN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182250856 323369980 /nfs/dbraw/zinc/36/99/80/323369980.db2.gz YXSBJBGXJPHSAV-IUODEOHRSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1cc(NC[C@@H]2CN(C)CCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000326123503 465034522 /nfs/dbraw/zinc/03/45/22/465034522.db2.gz GIFAOLAWMWJOPQ-CQSZACIVSA-N 0 3 329.404 2.109 20 5 EEBDHN Cc1c(CNC(=O)[C@H]2CNCc3ccccc32)cccc1[N+](=O)[O-] ZINC000326338949 465037698 /nfs/dbraw/zinc/03/76/98/465037698.db2.gz AHPFCKOAJUFZMQ-INIZCTEOSA-N 0 3 325.368 2.406 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339126783 465098879 /nfs/dbraw/zinc/09/88/79/465098879.db2.gz HBKHRFKXGSBVFB-OAHLLOKOSA-N 0 3 336.392 2.169 20 5 EEBDHN COc1cc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688333 465170705 /nfs/dbraw/zinc/17/07/05/465170705.db2.gz VAPYDIMUHJFIKU-TZMCWYRMSA-N 0 3 347.371 2.089 20 5 EEBDHN COc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497796 465186726 /nfs/dbraw/zinc/18/67/26/465186726.db2.gz YBGCZYFYKKSJSZ-KBPBESRZSA-N 0 3 331.376 2.468 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127725753 462577796 /nfs/dbraw/zinc/57/77/96/462577796.db2.gz PHBOUHBRJGYSER-LLVKDONJSA-N 0 3 331.294 2.438 20 5 EEBDHN CC1CCN(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000087056993 462586472 /nfs/dbraw/zinc/58/64/72/462586472.db2.gz VVTCKZIEUGEDIK-UHFFFAOYSA-N 0 3 346.431 2.394 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@@H]1C ZINC000521386372 468308067 /nfs/dbraw/zinc/30/80/67/468308067.db2.gz RTJZVIXLSVPOSR-RYUDHWBXSA-N 0 3 349.387 2.316 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635379 462699999 /nfs/dbraw/zinc/69/99/99/462699999.db2.gz CQGLBOXOULLKEK-DOMZBBRYSA-N 0 3 340.445 2.329 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613738 462741504 /nfs/dbraw/zinc/74/15/04/462741504.db2.gz JSFLUJRCIAKVBY-GJZGRUSLSA-N 0 3 347.415 2.227 20 5 EEBDHN Cc1c(NC(=O)Nc2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000130432042 462755991 /nfs/dbraw/zinc/75/59/91/462755991.db2.gz WCHNMWQREAJRTK-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000133651451 462955868 /nfs/dbraw/zinc/95/58/68/462955868.db2.gz YNVGBVRTPFUWNE-GFCCVEGCSA-N 0 3 336.392 2.310 20 5 EEBDHN COc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC000568506565 468347531 /nfs/dbraw/zinc/34/75/31/468347531.db2.gz BVWFBXZCPRMACU-OAHLLOKOSA-N 0 3 341.367 2.107 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000055403229 463316634 /nfs/dbraw/zinc/31/66/34/463316634.db2.gz YEGMYAFYIYJWFS-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000069845993 463337552 /nfs/dbraw/zinc/33/75/52/463337552.db2.gz RFFICSVFSQUGDX-UHFFFAOYSA-N 0 3 345.403 2.139 20 5 EEBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000069845993 463337557 /nfs/dbraw/zinc/33/75/57/463337557.db2.gz RFFICSVFSQUGDX-UHFFFAOYSA-N 0 3 345.403 2.139 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169964 468353197 /nfs/dbraw/zinc/35/31/97/468353197.db2.gz JGJSFKMRDBZFFW-VXGBXAGGSA-N 0 3 347.371 2.022 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169963 468353775 /nfs/dbraw/zinc/35/37/75/468353775.db2.gz JGJSFKMRDBZFFW-RYUDHWBXSA-N 0 3 347.371 2.022 20 5 EEBDHN CC(C)C[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160908968 463381851 /nfs/dbraw/zinc/38/18/51/463381851.db2.gz MFAOXMSXDXBWKY-MRXNPFEDSA-N 0 3 335.404 2.338 20 5 EEBDHN CC(C)N(C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000042104888 463541366 /nfs/dbraw/zinc/54/13/66/463541366.db2.gz NIURVXNEAVGGMO-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN CC[C@@H](N[C@@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165144158 463640905 /nfs/dbraw/zinc/64/09/05/463640905.db2.gz HNTXAQWFVADXDW-CVEARBPZSA-N 0 3 335.404 2.273 20 5 EEBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170902714 463738402 /nfs/dbraw/zinc/73/84/02/463738402.db2.gz QJXBMJOTCBKJOK-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN Cc1nc([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268466701 463754700 /nfs/dbraw/zinc/75/47/00/463754700.db2.gz LUWMTEZYLPWERK-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268466701 463754704 /nfs/dbraw/zinc/75/47/04/463754704.db2.gz LUWMTEZYLPWERK-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268466701 463754709 /nfs/dbraw/zinc/75/47/09/463754709.db2.gz LUWMTEZYLPWERK-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177664322 463759670 /nfs/dbraw/zinc/75/96/70/463759670.db2.gz OGFNLXUMNWTRNB-WCQYABFASA-N 0 3 348.403 2.028 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177790256 463792946 /nfs/dbraw/zinc/79/29/46/463792946.db2.gz FUOKFHLXJSYZJG-INIZCTEOSA-N 0 3 329.404 2.392 20 5 EEBDHN CCN1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000263905831 464235027 /nfs/dbraw/zinc/23/50/27/464235027.db2.gz KSPFBPSZSCRPBX-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264453263 464332645 /nfs/dbraw/zinc/33/26/45/464332645.db2.gz DAHZJEANBMQJFK-OAHLLOKOSA-N 0 3 333.388 2.060 20 5 EEBDHN CC(C)[C@H](CO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174865872 464461177 /nfs/dbraw/zinc/46/11/77/464461177.db2.gz YWFOYYXCYIPZIK-KRWDZBQOSA-N 0 3 332.404 2.310 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272371680 464582051 /nfs/dbraw/zinc/58/20/51/464582051.db2.gz BPRMVIPTIUIPEJ-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN COC(=O)Cc1ccc(N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000294934582 464653637 /nfs/dbraw/zinc/65/36/37/464653637.db2.gz KYYGFOQASWMWGT-GOSISDBHSA-N 0 3 347.415 2.232 20 5 EEBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000285934460 464749033 /nfs/dbraw/zinc/74/90/33/464749033.db2.gz DAAIEGMOXRQSPQ-LBPRGKRZSA-N 0 3 334.376 2.468 20 5 EEBDHN C[C@@H]1CSCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249028703 464830770 /nfs/dbraw/zinc/83/07/70/464830770.db2.gz LTZCIUQGVYCFRP-QWHCGFSZSA-N 0 3 326.418 2.019 20 5 EEBDHN Cc1cc(OCC(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295458679 464844742 /nfs/dbraw/zinc/84/47/42/464844742.db2.gz XEUKSEGJHCYKFT-ZDUSSCGKSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192189102 464882191 /nfs/dbraw/zinc/88/21/91/464882191.db2.gz SIKYZTXDEYPARA-OCCSQVGLSA-N 0 3 326.418 2.162 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000267032559 464909652 /nfs/dbraw/zinc/90/96/52/464909652.db2.gz BLGLWDVWFOBINV-KRWDZBQOSA-N 0 3 330.388 2.237 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249820779 464918504 /nfs/dbraw/zinc/91/85/04/464918504.db2.gz GLVVZGMZCFPOIU-JSGCOSHPSA-N 0 3 335.429 2.382 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286628084 464984314 /nfs/dbraw/zinc/98/43/14/464984314.db2.gz YCYOULWDWBZMDP-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000282925264 465004298 /nfs/dbraw/zinc/00/42/98/465004298.db2.gz WROVMWGMCRZXMT-SWLSCSKDSA-N 0 3 335.404 2.406 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919702 465389162 /nfs/dbraw/zinc/38/91/62/465389162.db2.gz IYQCHNZCTIUWQO-GFCCVEGCSA-N 0 3 330.388 2.490 20 5 EEBDHN Cc1cc(NCCc2ccc(OCCN(C)C)cc2)ncc1[N+](=O)[O-] ZINC000348185440 465478248 /nfs/dbraw/zinc/47/82/48/465478248.db2.gz YMIWKTXSORDJNB-UHFFFAOYSA-N 0 3 344.415 2.893 20 5 EEBDHN CN(C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000600029142 468439158 /nfs/dbraw/zinc/43/91/58/468439158.db2.gz MUGJGCVQZBDIRX-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000360012152 465518229 /nfs/dbraw/zinc/51/82/29/465518229.db2.gz RWXKTPFMYISDKC-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000343801756 465555823 /nfs/dbraw/zinc/55/58/23/465555823.db2.gz DCNSUNAGZIBBOI-RISCZKNCSA-N 0 3 330.392 2.379 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000344776558 465789987 /nfs/dbraw/zinc/78/99/87/465789987.db2.gz SELATYBRUZYTMM-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN CN(C)CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000594001037 468456385 /nfs/dbraw/zinc/45/63/85/468456385.db2.gz NSMSMANBXDKCJD-UHFFFAOYSA-N 0 3 344.415 2.432 20 5 EEBDHN CNc1c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216389 466000205 /nfs/dbraw/zinc/00/02/05/466000205.db2.gz INJDWGMKRACHCX-HEHGZKQESA-N 0 3 346.431 2.439 20 5 EEBDHN Cc1[nH]ncc1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353622319 466018955 /nfs/dbraw/zinc/01/89/55/466018955.db2.gz NWBUKQOZBPTCSB-HNNXBMFYSA-N 0 3 326.360 2.239 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000331371064 466052547 /nfs/dbraw/zinc/05/25/47/466052547.db2.gz DNLLKHPJYNMCMS-ZJUUUORDSA-N 0 3 339.342 2.157 20 5 EEBDHN Cc1cc(N2CCN(CCO)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302557807 466153839 /nfs/dbraw/zinc/15/38/39/466153839.db2.gz SLWBANLEUZCVSD-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783468 466238846 /nfs/dbraw/zinc/23/88/46/466238846.db2.gz LZVKBGJZGXILFP-JTQLQIEISA-N 0 3 349.840 2.255 20 5 EEBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783468 466238851 /nfs/dbraw/zinc/23/88/51/466238851.db2.gz LZVKBGJZGXILFP-JTQLQIEISA-N 0 3 349.840 2.255 20 5 EEBDHN COc1cc(Cc2noc(CC3CCN(C)CC3)n2)ccc1[N+](=O)[O-] ZINC000350167316 466412778 /nfs/dbraw/zinc/41/27/78/466412778.db2.gz KIPGWYAMGNPPDX-UHFFFAOYSA-N 0 3 346.387 2.462 20 5 EEBDHN COc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000332229949 466458654 /nfs/dbraw/zinc/45/86/54/466458654.db2.gz PSSYHEOBRIUVQJ-TZMCWYRMSA-N 0 3 333.388 2.160 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673371 468501505 /nfs/dbraw/zinc/50/15/05/468501505.db2.gz RTQVQONZPFTKKF-CMPLNLGQSA-N 0 3 327.331 2.325 20 5 EEBDHN Cc1c(CC(=O)N2C[C@@H](N)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000424074945 466972940 /nfs/dbraw/zinc/97/29/40/466972940.db2.gz KTFLQKDDTKAJTJ-HNNXBMFYSA-N 0 3 325.368 2.362 20 5 EEBDHN CCn1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056606 467287909 /nfs/dbraw/zinc/28/79/09/467287909.db2.gz ZMLRUIORNDLVEU-LSDHHAIUSA-N 0 3 345.403 2.246 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c1C ZINC000420449123 467411503 /nfs/dbraw/zinc/41/15/03/467411503.db2.gz SNYXGSKESPLBIM-CYBMUJFWSA-N 0 3 341.433 2.022 20 5 EEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCN1CCOC(C)(C)C1 ZINC000434694874 467419094 /nfs/dbraw/zinc/41/90/94/467419094.db2.gz NXORXMCTKYPYRP-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2n[nH]c(C3CC3)n2)n1 ZINC000453271035 467474860 /nfs/dbraw/zinc/47/48/60/467474860.db2.gz FYCWNPCUPQHXKG-NWDGAFQWSA-N 0 3 331.380 2.060 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448903999 467605046 /nfs/dbraw/zinc/60/50/46/467605046.db2.gz LRLACHOTNYTWMQ-UHFFFAOYSA-N 0 3 343.387 2.153 20 5 EEBDHN CCN(CC)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448976208 467609445 /nfs/dbraw/zinc/60/94/45/467609445.db2.gz LPFUAMBJGGAHCQ-CYBMUJFWSA-N 0 3 335.404 2.404 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1F ZINC000458321650 467809088 /nfs/dbraw/zinc/80/90/88/467809088.db2.gz QTAVSCVXGGBMFD-UHFFFAOYSA-N 0 3 336.323 2.255 20 5 EEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cc1F ZINC000458321650 467809093 /nfs/dbraw/zinc/80/90/93/467809093.db2.gz QTAVSCVXGGBMFD-UHFFFAOYSA-N 0 3 336.323 2.255 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)CN1C ZINC000450542499 467866724 /nfs/dbraw/zinc/86/67/24/467866724.db2.gz UMJXZZJAHJTTOA-VXGBXAGGSA-N 0 3 343.387 2.150 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752886 468102345 /nfs/dbraw/zinc/10/23/45/468102345.db2.gz YPCBXIFATSSGSG-TUAOUCFPSA-N 0 3 335.433 2.471 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3sccc3c2)c1 ZINC000578642626 468232157 /nfs/dbraw/zinc/23/21/57/468232157.db2.gz UVDLIDYPEOTZDS-AWEZNQCLSA-N 0 3 332.385 2.157 20 5 EEBDHN CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000591926979 468573533 /nfs/dbraw/zinc/57/35/33/468573533.db2.gz NLALAMPPTLGPLL-MRXNPFEDSA-N 0 3 334.420 2.263 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2COCCN2)c2ccccc2)c1 ZINC000600712310 468629203 /nfs/dbraw/zinc/62/92/03/468629203.db2.gz WUZLXYNZBDOZOW-AEFFLSMTSA-N 0 3 327.384 2.262 20 5 EEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000597717010 468649177 /nfs/dbraw/zinc/64/91/77/468649177.db2.gz VWDDJWHLCWHEIK-KRWDZBQOSA-N 0 3 343.387 2.029 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Cl)cc(Cl)c2)c1 ZINC000594717943 468662445 /nfs/dbraw/zinc/66/24/45/468662445.db2.gz INLXBRDEMFHIDG-ZDUSSCGKSA-N 0 3 345.186 2.249 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCOC(C)(C)C1 ZINC000595009174 468742616 /nfs/dbraw/zinc/74/26/16/468742616.db2.gz ASBIDVDYUUPFBJ-CYBMUJFWSA-N 0 3 337.420 2.365 20 5 EEBDHN NC(=O)c1ccc(CN2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559640831 468750590 /nfs/dbraw/zinc/75/05/90/468750590.db2.gz SBDUJMGWPNLENU-CQSZACIVSA-N 0 3 326.356 2.078 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000571242555 468759194 /nfs/dbraw/zinc/75/91/94/468759194.db2.gz SZCLRXXMNYOBHT-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000598262504 468810195 /nfs/dbraw/zinc/81/01/95/468810195.db2.gz LQEBKHJNAMDVRF-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688596 468823883 /nfs/dbraw/zinc/82/38/83/468823883.db2.gz XESSEBNXMFPXPG-SMDDNHRTSA-N 0 3 339.392 2.191 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000598622167 468936796 /nfs/dbraw/zinc/93/67/96/468936796.db2.gz MAIGCVBKFZDSQD-LBPRGKRZSA-N 0 3 336.392 2.309 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593319458 468937509 /nfs/dbraw/zinc/93/75/09/468937509.db2.gz JWIVEXXOSJDHPU-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CCn1nccc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596095983 469152833 /nfs/dbraw/zinc/15/28/33/469152833.db2.gz SNRSVTYFXDLXHG-LBPRGKRZSA-N 0 3 331.376 2.318 20 5 EEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603083252 469255630 /nfs/dbraw/zinc/25/56/30/469255630.db2.gz IWUBDFQVDIAYPM-UHFFFAOYSA-N 0 3 326.356 2.342 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccncc2)CC1 ZINC000613314889 469685716 /nfs/dbraw/zinc/68/57/16/469685716.db2.gz LDLHLOFCSRIYJE-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271561 577456182 /nfs/dbraw/zinc/45/61/82/577456182.db2.gz LXXZBVUISYVYCI-OAHLLOKOSA-N 0 3 330.340 2.489 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581049 577463090 /nfs/dbraw/zinc/46/30/90/577463090.db2.gz CZRPIZMVRCZLLY-WMLDXEAASA-N 0 3 349.431 2.112 20 5 EEBDHN Cc1nn(CN2CCC[C@@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000776770150 577467602 /nfs/dbraw/zinc/46/76/02/577467602.db2.gz NLUHJUPEOISUQM-MRXNPFEDSA-N 0 3 345.403 2.496 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CCN(C)C1CC1 ZINC000770222198 577592611 /nfs/dbraw/zinc/59/26/11/577592611.db2.gz MLRDUKAUHGSHHL-UHFFFAOYSA-N 0 3 339.367 2.441 20 5 EEBDHN Cc1nn(CN(C)CCC2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000757606877 577861118 /nfs/dbraw/zinc/86/11/18/577861118.db2.gz KUGNNEJBOKQVMI-UHFFFAOYSA-N 0 3 333.392 2.354 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000741243260 578115255 /nfs/dbraw/zinc/11/52/55/578115255.db2.gz ULJCGNQTWRAOEC-CYBMUJFWSA-N 0 3 346.431 2.265 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581853 606474318 /nfs/dbraw/zinc/47/43/18/606474318.db2.gz WFHDHMJNLGTKBL-QWRGUYRKSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581853 606474321 /nfs/dbraw/zinc/47/43/21/606474321.db2.gz WFHDHMJNLGTKBL-QWRGUYRKSA-N 0 3 331.380 2.060 20 5 EEBDHN CC[C@@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825147570 608552196 /nfs/dbraw/zinc/55/21/96/608552196.db2.gz JNCCECJQXZJIAI-CQSZACIVSA-N 0 3 339.359 2.411 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)c1C ZINC000891190998 676151232 /nfs/dbraw/zinc/15/12/32/676151232.db2.gz GRYYBBGCHSPNBL-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000891907696 676899128 /nfs/dbraw/zinc/89/91/28/676899128.db2.gz SRWGVXOKUCJJND-ZDUSSCGKSA-N 0 3 342.399 2.496 20 5 EEBDHN CCc1nocc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022667042 678172552 /nfs/dbraw/zinc/17/25/52/678172552.db2.gz VISJAWHRALLGCU-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN CCc1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)no1 ZINC001022993348 678902788 /nfs/dbraw/zinc/90/27/88/678902788.db2.gz QLDMMRVVYJWXON-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN Cn1cccc1C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989959222 692539081 /nfs/dbraw/zinc/53/90/81/692539081.db2.gz IZJQIEUIGYOOFF-UHFFFAOYSA-N 0 3 348.428 2.389 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CN(C)CCN1C ZINC000872036687 1198032531 /nfs/dbraw/zinc/03/25/31/1198032531.db2.gz VFQSJPQCHZKGKE-OCCSQVGLSA-N 0 3 338.477 2.213 20 5 EEBDHN O=C(CCC1CCOCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134725360 1199772831 /nfs/dbraw/zinc/77/28/31/1199772831.db2.gz CHLYQNUCGNZEBF-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343509 1199908345 /nfs/dbraw/zinc/90/83/45/1199908345.db2.gz ZPELVKCMHYJOEB-QGZVFWFLSA-N 0 3 339.395 2.358 20 5 EEBDHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813104653 1201097857 /nfs/dbraw/zinc/09/78/57/1201097857.db2.gz PMKPNIWDVNOGFD-LSDHHAIUSA-N 0 3 348.399 2.364 20 5 EEBDHN Cc1cc(C)c(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(C)c1 ZINC000813106354 1201117823 /nfs/dbraw/zinc/11/78/23/1201117823.db2.gz BLBMIRSWQXHXFP-ZIAGYGMSSA-N 0 3 334.372 2.173 20 5 EEBDHN CC(COC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813112176 1201122974 /nfs/dbraw/zinc/12/29/74/1201122974.db2.gz DBKBVFKNONQYFR-GFCCVEGCSA-N 0 3 340.339 2.302 20 5 EEBDHN CCOC(=O)N1CCC([C@@H](C)NCc2cccnc2[N+](=O)[O-])CC1 ZINC000886147441 1202477395 /nfs/dbraw/zinc/47/73/95/1202477395.db2.gz SWBUFJUNHOINBH-GFCCVEGCSA-N 0 3 336.392 2.336 20 5 EEBDHN COc1cccc([C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2)c1 ZINC000886308360 1202490740 /nfs/dbraw/zinc/49/07/40/1202490740.db2.gz ACUFHSSMDIZUBM-INIZCTEOSA-N 0 3 328.372 2.145 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC001020030566 1229449207 /nfs/dbraw/zinc/44/92/07/1229449207.db2.gz SJKFJGDXCXVCFH-HDJSIYSDSA-N 0 3 344.346 2.180 20 5 EEBDHN Cc1cc(N2CCN(C(=O)CN(C)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001056062266 1238661323 /nfs/dbraw/zinc/66/13/23/1238661323.db2.gz CRFRSJSHRRBTFH-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN O=C(N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1)C1(CF)CC1 ZINC001049049148 1239853362 /nfs/dbraw/zinc/85/33/62/1239853362.db2.gz SYEWDGFCABGDCH-GASCZTMLSA-N 0 3 347.390 2.235 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000861037906 1295228774 /nfs/dbraw/zinc/22/87/74/1295228774.db2.gz OMDCCSIUOHRNOV-YESZJQIVSA-N 0 3 348.399 2.352 20 5 EEBDHN O=C1NCC2(CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)N1 ZINC001232225627 1304044591 /nfs/dbraw/zinc/04/45/91/1304044591.db2.gz NXKNPANAFSKGRR-UHFFFAOYSA-N 0 3 347.422 2.430 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001120610646 1309642473 /nfs/dbraw/zinc/64/24/73/1309642473.db2.gz IRDGCUOEZYFJGT-HNNXBMFYSA-N 0 3 335.404 2.340 20 5 EEBDHN Cc1cc(Nc2ccc(CN)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160406210 1320155685 /nfs/dbraw/zinc/15/56/85/1320155685.db2.gz SFQNMNFKVSVZKT-UHFFFAOYSA-N 0 3 336.355 2.379 20 5 EEBDHN Cc1ccccc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150541532 1316294553 /nfs/dbraw/zinc/29/45/53/1316294553.db2.gz DMVODLQFGUWNFY-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)cc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154847498 1317349097 /nfs/dbraw/zinc/34/90/97/1317349097.db2.gz MLGOCNALCVUQMB-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccnc(OCC3CC3)n1)C2 ZINC001254587641 1318134908 /nfs/dbraw/zinc/13/49/08/1318134908.db2.gz RVDHIRFLQCLYGE-INIZCTEOSA-N 0 3 340.383 2.431 20 5 EEBDHN COCC(C)(C)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163157358 1321054090 /nfs/dbraw/zinc/05/40/90/1321054090.db2.gz NNJALHARLUFOTQ-UHFFFAOYSA-N 0 3 337.420 2.253 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201573 1322443210 /nfs/dbraw/zinc/44/32/10/1322443210.db2.gz IDTAILHYRSUZGJ-RDBSUJKOSA-N 0 3 346.431 2.406 20 5 EEBDHN CN1CCN(c2ncccc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210393620 1325263442 /nfs/dbraw/zinc/26/34/42/1325263442.db2.gz WPNHFODFBJMJTF-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN COc1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)ccc1[N+](=O)[O-] ZINC001320209543 1332848475 /nfs/dbraw/zinc/84/84/75/1332848475.db2.gz LGTXTLRKOQAFEA-GFCCVEGCSA-N 0 3 330.344 2.463 20 5 EEBDHN C[NH+](C)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968028 1344325125 /nfs/dbraw/zinc/32/51/25/1344325125.db2.gz CONRGIDLKZHJRW-UONOGXRCSA-N 0 3 343.391 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968028 1344325132 /nfs/dbraw/zinc/32/51/32/1344325132.db2.gz CONRGIDLKZHJRW-UONOGXRCSA-N 0 3 343.391 2.060 20 5 EEBDHN [NH3+]CC1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001580244832 1403853373 /nfs/dbraw/zinc/85/33/73/1403853373.db2.gz CRRFDDXKUJYGDG-UHFFFAOYSA-N 0 3 327.331 2.464 20 5 EEBDHN O=C(CC1CCCCC1)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818992946 785355942 /nfs/dbraw/zinc/35/59/42/785355942.db2.gz UWVHQJRHQMQMHO-KRWDZBQOSA-N 0 3 349.431 2.304 20 5 EEBDHN CC(C)(C)SCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819009986 785362038 /nfs/dbraw/zinc/36/20/38/785362038.db2.gz XLAMSLJJGMCXHA-UHFFFAOYSA-N 0 3 346.474 2.490 20 5 EEBDHN CC(C)(CCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1)[N+](=O)[O-] ZINC000828012095 785512620 /nfs/dbraw/zinc/51/26/20/785512620.db2.gz GYUNEQOKNWTEQT-UHFFFAOYSA-N 0 3 349.431 2.417 20 5 EEBDHN COCCN1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903065 797130371 /nfs/dbraw/zinc/13/03/71/797130371.db2.gz DROLKHQDFFOJKC-QGZVFWFLSA-N 0 3 333.432 2.106 20 5 EEBDHN CC(C)(C)OC(=O)N1CCC2(CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013413 803571482 /nfs/dbraw/zinc/57/14/82/803571482.db2.gz UXDRSNVOWFRAEC-ZIAGYGMSSA-N 0 3 339.436 2.375 20 5 EEBDHN CC(=O)Nc1ccc(N2CCCc3ccc(CN)nc32)cc1[N+](=O)[O-] ZINC001169591518 803864374 /nfs/dbraw/zinc/86/43/74/803864374.db2.gz ZUQWHVMLOCFWBQ-UHFFFAOYSA-N 0 3 341.371 2.491 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109452456 805488009 /nfs/dbraw/zinc/48/80/09/805488009.db2.gz OHMFUZKHAIYJJN-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109496231 805551394 /nfs/dbraw/zinc/55/13/94/805551394.db2.gz JVTJVDNBJOZMBR-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN COc1ccc(C[C@@H](C)NCc2cn3cccnc3n2)c([N+](=O)[O-])c1 ZINC001170298577 809870302 /nfs/dbraw/zinc/87/03/02/809870302.db2.gz MPCGOTMVWKLVLA-GFCCVEGCSA-N 0 3 341.371 2.367 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170335658 809899034 /nfs/dbraw/zinc/89/90/34/809899034.db2.gz PYCSCNVVYZRCPP-ZDUSSCGKSA-N 0 3 336.388 2.373 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175087000 231382288 /nfs/dbraw/zinc/38/22/88/231382288.db2.gz ZJLQIWBUVKUPQJ-CHWSQXEVSA-N 0 3 341.433 2.054 20 5 EEBDHN C[C@H](O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870069 234015276 /nfs/dbraw/zinc/01/52/76/234015276.db2.gz WSLSPZKPBDRCIC-GXTWGEPZSA-N 0 3 330.388 2.198 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(C)CC1 ZINC000181071153 234078369 /nfs/dbraw/zinc/07/83/69/234078369.db2.gz CCCUSJFVZMBEQY-LBPRGKRZSA-N 0 3 349.387 2.174 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000229817948 242203705 /nfs/dbraw/zinc/20/37/05/242203705.db2.gz RUVCBHJIHXYGSJ-NVXWUHKLSA-N 0 3 342.399 2.285 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000492311168 246394744 /nfs/dbraw/zinc/39/47/44/246394744.db2.gz HHEUAVJOCOHVOO-MHKRFPNSSA-N 0 3 335.429 2.112 20 5 EEBDHN CCOC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496235011 247396204 /nfs/dbraw/zinc/39/62/04/247396204.db2.gz QPHKEQJYCCMLHQ-YGRLFVJLSA-N 0 3 342.323 2.211 20 5 EEBDHN CCN(CC)CC(=O)N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266544529 248353327 /nfs/dbraw/zinc/35/33/27/248353327.db2.gz RMZXMHJCBITWRU-HNNXBMFYSA-N 0 3 348.447 2.142 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270532743 256145364 /nfs/dbraw/zinc/14/53/64/256145364.db2.gz VQANDKJFEVIVOQ-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273038936 256259350 /nfs/dbraw/zinc/25/93/50/256259350.db2.gz VXOOXRDRHQTGTJ-CYBMUJFWSA-N 0 3 333.388 2.130 20 5 EEBDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273066690 256262142 /nfs/dbraw/zinc/26/21/42/256262142.db2.gz YYXPFJBXNMDFHU-NSHDSACASA-N 0 3 348.359 2.192 20 5 EEBDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559565 292219362 /nfs/dbraw/zinc/21/93/62/292219362.db2.gz FPHGMLAWTUURQA-HUUCEWRRSA-N 0 3 337.420 2.282 20 5 EEBDHN COc1ccc([C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511292 286367761 /nfs/dbraw/zinc/36/77/61/286367761.db2.gz OIYWFYOVRZPNPA-ZDUSSCGKSA-N 0 3 331.372 2.458 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249155419 160375714 /nfs/dbraw/zinc/37/57/14/160375714.db2.gz YOXIPKCQGZQWOF-IUODEOHRSA-N 0 3 349.387 2.054 20 5 EEBDHN CC(C)CC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015396 159191317 /nfs/dbraw/zinc/19/13/17/159191317.db2.gz PVDKQXYOWFCHMA-ZDUSSCGKSA-N 0 3 343.449 2.287 20 5 EEBDHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248442715 160346080 /nfs/dbraw/zinc/34/60/80/160346080.db2.gz FGANQTISTCPMGQ-CHWSQXEVSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCN1C ZINC000343427232 161134976 /nfs/dbraw/zinc/13/49/76/161134976.db2.gz DWIFRNMKKVXNNQ-ONGXEEELSA-N 0 3 343.330 2.409 20 5 EEBDHN COc1ccc(-c2ccc(CN[C@@H](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000345829509 161335586 /nfs/dbraw/zinc/33/55/86/161335586.db2.gz YRRRZMRVDCHZQT-JTQLQIEISA-N 0 3 333.344 2.217 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(F)cc1 ZINC000359781667 164170433 /nfs/dbraw/zinc/17/04/33/164170433.db2.gz ABYQRLKWEJVHLD-ZDUSSCGKSA-N 0 3 334.351 2.105 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000374853905 167052345 /nfs/dbraw/zinc/05/23/45/167052345.db2.gz HAZMPUVUWDNCGB-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN CCN1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279557394 269288448 /nfs/dbraw/zinc/28/84/48/269288448.db2.gz JXGIYELRXCTYKL-UHFFFAOYSA-N 0 3 343.786 2.484 20 5 EEBDHN C[C@@H](CN1CCOCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548024 274220112 /nfs/dbraw/zinc/22/01/12/274220112.db2.gz LZTKYEONPSBXAL-RDJZCZTQSA-N 0 3 333.432 2.495 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292223337 275396808 /nfs/dbraw/zinc/39/68/08/275396808.db2.gz BXDPYXXEJIXKNN-CQSZACIVSA-N 0 3 331.416 2.470 20 5 EEBDHN Cn1cc(CN2CCC[C@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294162997 293385977 /nfs/dbraw/zinc/38/59/77/293385977.db2.gz WBFWFGPMSSKDDQ-INIZCTEOSA-N 0 3 330.388 2.342 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000297800674 294345131 /nfs/dbraw/zinc/34/51/31/294345131.db2.gz OOVAVDKXXIEEHI-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1nn(C)c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187190437 302735424 /nfs/dbraw/zinc/73/54/24/302735424.db2.gz CLKHLCUTCRTZCL-BXUZGUMPSA-N 0 3 345.403 2.058 20 5 EEBDHN Cn1ccnc1[C@H]1CNCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261743981 303009898 /nfs/dbraw/zinc/00/98/98/303009898.db2.gz LAJFQFIOKKRUDN-CQSZACIVSA-N 0 3 335.795 2.128 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440077436 315110670 /nfs/dbraw/zinc/11/06/70/315110670.db2.gz MCYRLXMRWBEILK-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000543840283 318175632 /nfs/dbraw/zinc/17/56/32/318175632.db2.gz RRBAJVFGHSVBNY-AWEZNQCLSA-N 0 3 335.404 2.373 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000548086011 318353237 /nfs/dbraw/zinc/35/32/37/318353237.db2.gz IIHMLEPPLPKDFR-OAHLLOKOSA-N 0 3 343.387 2.193 20 5 EEBDHN COc1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551806776 318471329 /nfs/dbraw/zinc/47/13/29/318471329.db2.gz SSUVIJNJKDRELG-CQSZACIVSA-N 0 3 332.356 2.133 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907180 318817509 /nfs/dbraw/zinc/81/75/09/318817509.db2.gz DOPNXJDMUINTDW-STQMWFEESA-N 0 3 345.403 2.307 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000567331542 319369465 /nfs/dbraw/zinc/36/94/65/319369465.db2.gz IQRSZAZLBYGFRR-XHDPSFHLSA-N 0 3 336.779 2.083 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000577030617 320224747 /nfs/dbraw/zinc/22/47/47/320224747.db2.gz XEXYLKVHBLNQDP-LBPRGKRZSA-N 0 3 343.387 2.057 20 5 EEBDHN CC(C)CO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182004336 323361876 /nfs/dbraw/zinc/36/18/76/323361876.db2.gz VQJSBGGDEYSAQY-GJZGRUSLSA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293253 465028855 /nfs/dbraw/zinc/02/88/55/465028855.db2.gz QEDVCLSPIHNDCB-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1Cc1ccccc1 ZINC000347592413 465111451 /nfs/dbraw/zinc/11/14/51/465111451.db2.gz NGHSATNLIJAFFT-JKSUJKDBSA-N 0 3 343.431 2.386 20 5 EEBDHN CC(C)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000114383464 462642978 /nfs/dbraw/zinc/64/29/78/462642978.db2.gz IDWQMQPBQGOABN-UHFFFAOYSA-N 0 3 334.420 2.369 20 5 EEBDHN CCN1CCN(CCCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000075469689 462720507 /nfs/dbraw/zinc/72/05/07/462720507.db2.gz HKKYOBKXPIVRPG-UHFFFAOYSA-N 0 3 334.420 2.237 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000046954257 462725681 /nfs/dbraw/zinc/72/56/81/462725681.db2.gz HWHIWHCIVIAXEK-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000067841353 463056241 /nfs/dbraw/zinc/05/62/41/463056241.db2.gz IAAKHDTWZHUCRG-CQSZACIVSA-N 0 3 346.431 2.409 20 5 EEBDHN CN(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582855 463177072 /nfs/dbraw/zinc/17/70/72/463177072.db2.gz YSIWPNFELWFJRP-UHFFFAOYSA-N 0 3 328.372 2.238 20 5 EEBDHN CCN1CCN([C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107369335 463568086 /nfs/dbraw/zinc/56/80/86/463568086.db2.gz NXGVHYGBCQCVSC-MAUKXSAKSA-N 0 3 332.448 2.368 20 5 EEBDHN CCCCN(C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112310244 463698056 /nfs/dbraw/zinc/69/80/56/463698056.db2.gz LYTGFUOBSLTADO-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OC)C1 ZINC000170821154 463713087 /nfs/dbraw/zinc/71/30/87/463713087.db2.gz TUSMRRHKJAFWEA-ZDUSSCGKSA-N 0 3 337.376 2.043 20 5 EEBDHN CN(C)C1(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC1 ZINC000286836569 463720445 /nfs/dbraw/zinc/72/04/45/463720445.db2.gz ZRNIPXZCUMTUJF-UHFFFAOYSA-N 0 3 331.376 2.164 20 5 EEBDHN COC(=O)C1=NOC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000185097403 463752322 /nfs/dbraw/zinc/75/23/22/463752322.db2.gz IPTGBDXYDPZGFT-UHFFFAOYSA-N 0 3 347.371 2.187 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000276836578 463774437 /nfs/dbraw/zinc/77/44/37/463774437.db2.gz PFOMPNOBENOCMK-SWLSCSKDSA-N 0 3 333.388 2.078 20 5 EEBDHN COCCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171098448 463785199 /nfs/dbraw/zinc/78/51/99/463785199.db2.gz QGTYXHHQMKFFBJ-UHFFFAOYSA-N 0 3 336.392 2.217 20 5 EEBDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269701456 464063980 /nfs/dbraw/zinc/06/39/80/464063980.db2.gz MCEJDOPRIAJJMB-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN CCC[C@@H](NCCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284357356 464162762 /nfs/dbraw/zinc/16/27/62/464162762.db2.gz MTCDDMUXCWSAHH-CQSZACIVSA-N 0 3 347.375 2.104 20 5 EEBDHN CSC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313688 464193720 /nfs/dbraw/zinc/19/37/20/464193720.db2.gz DVKIJZUIHLUUMV-ZIAGYGMSSA-N 0 3 340.445 2.410 20 5 EEBDHN CSC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313681 464194169 /nfs/dbraw/zinc/19/41/69/464194169.db2.gz DVKIJZUIHLUUMV-KBPBESRZSA-N 0 3 340.445 2.410 20 5 EEBDHN CCCNC(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236842003 464230188 /nfs/dbraw/zinc/23/01/88/464230188.db2.gz FSHUWVYFAGPYGS-UHFFFAOYSA-N 0 3 345.403 2.001 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591056194 468400482 /nfs/dbraw/zinc/40/04/82/468400482.db2.gz USLIMCMQJFBVSY-HYVNUMGLSA-N 0 3 329.400 2.299 20 5 EEBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000173526615 464276944 /nfs/dbraw/zinc/27/69/44/464276944.db2.gz UOQBYFLLYMLYAU-UHFFFAOYSA-N 0 3 343.449 2.382 20 5 EEBDHN COc1ccc(OCCN(CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000173643083 464300299 /nfs/dbraw/zinc/30/02/99/464300299.db2.gz NDFBHPLFNWIRPC-UHFFFAOYSA-N 0 3 346.383 2.477 20 5 EEBDHN CN(C)[C@@H]1CCC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443704 464313389 /nfs/dbraw/zinc/31/33/89/464313389.db2.gz VVTFKHUQKOLTLZ-NXEZZACHSA-N 0 3 347.462 2.345 20 5 EEBDHN CN(C[C@H]1CCCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174144305 464367744 /nfs/dbraw/zinc/36/77/44/464367744.db2.gz WKCFTJYIAIWKRG-CZUORRHYSA-N 0 3 333.388 2.059 20 5 EEBDHN CCCN(CCN1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000356640585 465465630 /nfs/dbraw/zinc/46/56/30/465465630.db2.gz HTTNLVPSFNQSEJ-UHFFFAOYSA-N 0 3 337.424 2.057 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264647312 464408075 /nfs/dbraw/zinc/40/80/75/464408075.db2.gz WJLFBXGKMNNJNJ-RHSMWYFYSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1c(C(=O)NCC2=CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000271931025 464418546 /nfs/dbraw/zinc/41/85/46/464418546.db2.gz MLKTWDYDEWBCJY-UHFFFAOYSA-N 0 3 348.359 2.112 20 5 EEBDHN CCO[C@@H]1C[C@](CO)(NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981314 464578014 /nfs/dbraw/zinc/57/80/14/464578014.db2.gz LRJWMGFCEDWCFY-NVXWUHKLSA-N 0 3 338.404 2.129 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426753 464604026 /nfs/dbraw/zinc/60/40/26/464604026.db2.gz CEJVJLJNCUHNBB-NVXWUHKLSA-N 0 3 346.431 2.263 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377360 464639907 /nfs/dbraw/zinc/63/99/07/464639907.db2.gz LGHIEIXARXJFRU-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000265806728 464692858 /nfs/dbraw/zinc/69/28/58/464692858.db2.gz SAAUZNRCWNWBKA-CVEARBPZSA-N 0 3 342.399 2.285 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838671 464705229 /nfs/dbraw/zinc/70/52/29/464705229.db2.gz FTJDWMUPVSYPCG-CHWSQXEVSA-N 0 3 342.417 2.049 20 5 EEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176163801 464711330 /nfs/dbraw/zinc/71/13/30/464711330.db2.gz ZNRZDZOTXCSVMF-FRRDWIJNSA-N 0 3 334.420 2.273 20 5 EEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295227820 464752037 /nfs/dbraw/zinc/75/20/37/464752037.db2.gz BIGVRJULSIGFRE-LBPRGKRZSA-N 0 3 333.388 2.160 20 5 EEBDHN CN(CCc1nc(-c2ccccc2)no1)CCn1ccc([N+](=O)[O-])n1 ZINC000286131110 464814682 /nfs/dbraw/zinc/81/46/82/464814682.db2.gz VDZVHBAXAGGERU-UHFFFAOYSA-N 0 3 342.359 2.016 20 5 EEBDHN CC[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183440689 464865098 /nfs/dbraw/zinc/86/50/98/464865098.db2.gz DYPBTRUOQMQJAG-OWCLPIDISA-N 0 3 335.404 2.271 20 5 EEBDHN CN(C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355916 464901835 /nfs/dbraw/zinc/90/18/35/464901835.db2.gz VBEXWWWSPJQKRM-VXGBXAGGSA-N 0 3 341.433 2.283 20 5 EEBDHN CC(C)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824288 465534267 /nfs/dbraw/zinc/53/42/67/465534267.db2.gz FKNUUSQBHZYHBW-DOTOQJQBSA-N 0 3 338.404 2.081 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCCn3ccnc3)CC2)c1 ZINC000361062532 465738779 /nfs/dbraw/zinc/73/87/79/465738779.db2.gz MKTWJCBNXVQJMZ-UHFFFAOYSA-N 0 3 332.408 2.180 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C)CC1 ZINC000340169235 465839165 /nfs/dbraw/zinc/83/91/65/465839165.db2.gz VNPMBHWIAPHXJN-LLVKDONJSA-N 0 3 340.811 2.213 20 5 EEBDHN CCN1C[C@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346178397 465966532 /nfs/dbraw/zinc/96/65/32/465966532.db2.gz IVZFGMQQXQXJOH-KBPBESRZSA-N 0 3 337.420 2.397 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000346229228 466011295 /nfs/dbraw/zinc/01/12/95/466011295.db2.gz RVBBDTVLMWSQQC-SECBINFHSA-N 0 3 349.309 2.216 20 5 EEBDHN CC(C)CN1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357459606 466053994 /nfs/dbraw/zinc/05/39/94/466053994.db2.gz PAPWFJWOWBYLPY-LBPRGKRZSA-N 0 3 335.408 2.011 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NC3CCN(C4CC4)CC3)n2)cc1 ZINC000362830810 466056886 /nfs/dbraw/zinc/05/68/86/466056886.db2.gz MUPCHTSRGVNZDY-UHFFFAOYSA-N 0 3 329.360 2.684 20 5 EEBDHN C[C@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312878 468470895 /nfs/dbraw/zinc/47/08/95/468470895.db2.gz GWXRKGOLWCIJBD-BLLLJJGKSA-N 0 3 337.445 2.252 20 5 EEBDHN CCOc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302487288 466144916 /nfs/dbraw/zinc/14/49/16/466144916.db2.gz IRIQTUMRYGRZAB-ZDUSSCGKSA-N 0 3 337.420 2.275 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1N(C)C ZINC000331669044 466188403 /nfs/dbraw/zinc/18/84/03/466188403.db2.gz YKQOCNGPPMLKAJ-ZIAGYGMSSA-N 0 3 348.428 2.194 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000363123917 466233796 /nfs/dbraw/zinc/23/37/96/466233796.db2.gz LDCHEKRUQKQWCY-AWEZNQCLSA-N 0 3 333.388 2.060 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000332051128 466363056 /nfs/dbraw/zinc/36/30/56/466363056.db2.gz NAGXOGBRMZNQCX-OCCSQVGLSA-N 0 3 330.388 2.148 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354444838 466573371 /nfs/dbraw/zinc/57/33/71/466573371.db2.gz MATKXJACTOFAGR-GFCCVEGCSA-N 0 3 345.403 2.465 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000364984085 466726171 /nfs/dbraw/zinc/72/61/71/466726171.db2.gz SKNLPZDXTPAKGE-QGTPRVQTSA-N 0 3 333.432 2.495 20 5 EEBDHN CN1CCC(n2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000369662852 466743189 /nfs/dbraw/zinc/74/31/89/466743189.db2.gz IVLGXBKZGBCFMT-UHFFFAOYSA-N 0 3 344.375 2.702 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)c2cccnc21 ZINC000413183072 467185561 /nfs/dbraw/zinc/18/55/61/467185561.db2.gz LLLNUJIWNACKSR-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432136682 467218782 /nfs/dbraw/zinc/21/87/82/467218782.db2.gz DNMMLUKCQYUGCP-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000414499700 467414838 /nfs/dbraw/zinc/41/48/38/467414838.db2.gz ZMGBETCSAREONR-OAHLLOKOSA-N 0 3 349.431 2.255 20 5 EEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000420594117 467431363 /nfs/dbraw/zinc/43/13/63/467431363.db2.gz YZAITXYDKMPKRT-AWEZNQCLSA-N 0 3 340.383 2.380 20 5 EEBDHN C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000454775715 467615022 /nfs/dbraw/zinc/61/50/22/467615022.db2.gz OKGWMBYZXPPNFC-JTQLQIEISA-N 0 3 328.800 2.040 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000449243294 467625401 /nfs/dbraw/zinc/62/54/01/467625401.db2.gz JSCAKWCCGJILJN-PXAZEXFGSA-N 0 3 338.404 2.208 20 5 EEBDHN CC[C@H]1CN(CC)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000456357369 467710469 /nfs/dbraw/zinc/71/04/69/467710469.db2.gz SJVOQDHKHIPKHZ-NSHDSACASA-N 0 3 331.376 2.027 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458459062 467838652 /nfs/dbraw/zinc/83/86/52/467838652.db2.gz PHIQXBHPCOHWNQ-HNNXBMFYSA-N 0 3 334.420 2.261 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)cc1OC(F)F ZINC000450610737 467879116 /nfs/dbraw/zinc/87/91/16/467879116.db2.gz HECFKRPRWPPENR-LBPRGKRZSA-N 0 3 345.346 2.455 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@]1(C)CCO[C@H]1C ZINC000494230438 468038659 /nfs/dbraw/zinc/03/86/59/468038659.db2.gz KFSFMXGLIHTSGP-XMZIXOGTSA-N 0 3 337.376 2.088 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000494381775 468050716 /nfs/dbraw/zinc/05/07/16/468050716.db2.gz AZUQWKFGNQYCJP-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1Cc1ccccc1 ZINC000531569457 468061450 /nfs/dbraw/zinc/06/14/50/468061450.db2.gz UFSPMVKZNJBHFI-ZFWWWQNUSA-N 0 3 342.399 2.326 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594212104 468514612 /nfs/dbraw/zinc/51/46/12/468514612.db2.gz SLPRQSBTQPRKHW-JKSUJKDBSA-N 0 3 332.404 2.411 20 5 EEBDHN CCC(CC)Nc1ccncc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594362085 468562074 /nfs/dbraw/zinc/56/20/74/468562074.db2.gz OFYCFWRHZBROOK-UHFFFAOYSA-N 0 3 345.359 2.365 20 5 EEBDHN CNc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594418835 468579464 /nfs/dbraw/zinc/57/94/64/468579464.db2.gz MFMHRGDZZQDXLU-UONOGXRCSA-N 0 3 332.404 2.383 20 5 EEBDHN Cc1cccc(OCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582720613 468584050 /nfs/dbraw/zinc/58/40/50/468584050.db2.gz ZHFXLWXXERBADA-MRXNPFEDSA-N 0 3 346.383 2.312 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000560363495 468790921 /nfs/dbraw/zinc/79/09/21/468790921.db2.gz LEBCFSJNDOPCBB-GFCCVEGCSA-N 0 3 328.372 2.215 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000598342282 468836673 /nfs/dbraw/zinc/83/66/73/468836673.db2.gz LQPKKHFOTSBISI-CYBMUJFWSA-N 0 3 330.388 2.219 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907178 468854457 /nfs/dbraw/zinc/85/44/57/468854457.db2.gz DOPNXJDMUINTDW-OLZOCXBDSA-N 0 3 345.403 2.307 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386472 468857962 /nfs/dbraw/zinc/85/79/62/468857962.db2.gz GSVOFAXTNNKLKN-ZQIUZPCESA-N 0 3 346.431 2.467 20 5 EEBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639251 468982877 /nfs/dbraw/zinc/98/28/77/468982877.db2.gz IESIDJKUMMKLIJ-RNCFNFMXSA-N 0 3 334.294 2.243 20 5 EEBDHN COc1ccncc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602668178 468999093 /nfs/dbraw/zinc/99/90/93/468999093.db2.gz BVWRKWHOHZOVIH-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784847 469009070 /nfs/dbraw/zinc/00/90/70/469009070.db2.gz BXXRTSBYHSTRGP-GOEBONIOSA-N 0 3 335.404 2.038 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718768 469021192 /nfs/dbraw/zinc/02/11/92/469021192.db2.gz XFMLMGPEOPNKFP-CQSZACIVSA-N 0 3 337.395 2.421 20 5 EEBDHN Cc1cccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000601851621 469058210 /nfs/dbraw/zinc/05/82/10/469058210.db2.gz ULZVHGCMGFEHSX-AWEZNQCLSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)c1 ZINC000601851621 469058215 /nfs/dbraw/zinc/05/82/15/469058215.db2.gz ULZVHGCMGFEHSX-AWEZNQCLSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)c1 ZINC000601851621 469058222 /nfs/dbraw/zinc/05/82/22/469058222.db2.gz ULZVHGCMGFEHSX-AWEZNQCLSA-N 0 3 328.372 2.236 20 5 EEBDHN CC1(C)C[C@@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908582 469076996 /nfs/dbraw/zinc/07/69/96/469076996.db2.gz ISLNXXYYDCNQGD-DOTOQJQBSA-N 0 3 330.388 2.067 20 5 EEBDHN CC1(C)C[C@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908584 469077027 /nfs/dbraw/zinc/07/70/27/469077027.db2.gz ISLNXXYYDCNQGD-RDJZCZTQSA-N 0 3 330.388 2.067 20 5 EEBDHN Nc1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1[N+](=O)[O-] ZINC000596054370 469131134 /nfs/dbraw/zinc/13/11/34/469131134.db2.gz RTBIZXZLZRJWJV-OAHLLOKOSA-N 0 3 327.388 2.821 20 5 EEBDHN Cc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596110812 469159616 /nfs/dbraw/zinc/15/96/16/469159616.db2.gz TWFCIOOLVAPWQV-ZDUSSCGKSA-N 0 3 340.449 2.319 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574032 469164354 /nfs/dbraw/zinc/16/43/54/469164354.db2.gz INNPFCLHAMHYNB-CYBMUJFWSA-N 0 3 346.387 2.205 20 5 EEBDHN C[C@H](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C ZINC000596428076 469263672 /nfs/dbraw/zinc/26/36/72/469263672.db2.gz DTFXECYAFVZOLQ-GFCCVEGCSA-N 0 3 345.403 2.311 20 5 EEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCCOc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000599630421 469316247 /nfs/dbraw/zinc/31/62/47/469316247.db2.gz RLZZYANJQXDNTG-WBVHZDCISA-N 0 3 345.355 2.194 20 5 EEBDHN COc1ncccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507108 469342046 /nfs/dbraw/zinc/34/20/46/469342046.db2.gz ASCXUVJTMULECY-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN COCCN1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602546743 469356238 /nfs/dbraw/zinc/35/62/38/469356238.db2.gz KRPHAHQQIRIPCX-CYBMUJFWSA-N 0 3 347.337 2.424 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2CCC2)CC1 ZINC000609631858 469951880 /nfs/dbraw/zinc/95/18/80/469951880.db2.gz SBNQAYQLQDIGST-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2N)o1 ZINC000178181509 533883850 /nfs/dbraw/zinc/88/38/50/533883850.db2.gz UKQPUUCUBNSMKT-UHFFFAOYSA-N 0 3 346.387 2.282 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131585393 528779093 /nfs/dbraw/zinc/77/90/93/528779093.db2.gz LZDRHQPFNRZSSE-UHFFFAOYSA-N 0 3 331.376 2.042 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425047343 536487773 /nfs/dbraw/zinc/48/77/73/536487773.db2.gz MKAQXNFITHQNJJ-SWLSCSKDSA-N 0 3 335.429 2.240 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCC3)CC2)c1 ZINC000456681304 536949893 /nfs/dbraw/zinc/94/98/93/536949893.db2.gz HKIWMEAZNOKHCM-UHFFFAOYSA-N 0 3 333.388 2.350 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000733166158 577206169 /nfs/dbraw/zinc/20/61/69/577206169.db2.gz GAFVVZHFRDEPJD-AWEZNQCLSA-N 0 3 345.403 2.097 20 5 EEBDHN Cc1cc(N2CCN(CCCCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000776293451 577457227 /nfs/dbraw/zinc/45/72/27/577457227.db2.gz ZFGXZEQPSJXWPA-UHFFFAOYSA-N 0 3 344.415 2.346 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744350432 577896601 /nfs/dbraw/zinc/89/66/01/577896601.db2.gz OOYZFEUPJXUKGQ-CYBMUJFWSA-N 0 3 330.388 2.150 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724992 578123165 /nfs/dbraw/zinc/12/31/65/578123165.db2.gz PIGWXGPRSLHUEO-MWLCHTKSSA-N 0 3 336.348 2.024 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000742074345 578127059 /nfs/dbraw/zinc/12/70/59/578127059.db2.gz IJYSRXQTXMFPGU-OAHLLOKOSA-N 0 3 347.415 2.276 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N(C)OC ZINC000858587580 674736461 /nfs/dbraw/zinc/73/64/61/674736461.db2.gz PLDOFECBDBZVMV-VXGBXAGGSA-N 0 3 341.433 2.463 20 5 EEBDHN C[C@@H](CNC(=O)NCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000891649348 676751399 /nfs/dbraw/zinc/75/13/99/676751399.db2.gz PIQCROHVEFREPG-AWEZNQCLSA-N 0 3 334.420 2.483 20 5 EEBDHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330353 684505738 /nfs/dbraw/zinc/50/57/38/684505738.db2.gz LKEHNOQEQURIHV-PBHICJAKSA-N 0 3 332.356 2.172 20 5 EEBDHN CC(COC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N+](=O)[O-] ZINC000813110569 1201121571 /nfs/dbraw/zinc/12/15/71/1201121571.db2.gz DOXCZFLPEVTFRO-MRVPVSSYSA-N 0 3 344.249 2.108 20 5 EEBDHN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109836 1201121726 /nfs/dbraw/zinc/12/17/26/1201121726.db2.gz PNDMVBRQFJCVJM-LLVKDONJSA-N 0 3 340.401 2.125 20 5 EEBDHN CC(COC(=O)c1nn(-c2ccccc2F)c2c1CCC2)[N+](=O)[O-] ZINC000813114535 1201124916 /nfs/dbraw/zinc/12/49/16/1201124916.db2.gz SMNWLUXQUOYBPV-SNVBAGLBSA-N 0 3 333.319 2.322 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCN(CC4CC4)CC3)c2)c1 ZINC000777954338 1206604844 /nfs/dbraw/zinc/60/48/44/1206604844.db2.gz UJMIFGCDEWYMHO-UHFFFAOYSA-N 0 3 341.415 2.443 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599292 1227627353 /nfs/dbraw/zinc/62/73/53/1227627353.db2.gz ARWCVQKHPACQAX-INIZCTEOSA-N 0 3 328.372 2.210 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001020021157 1229445362 /nfs/dbraw/zinc/44/53/62/1229445362.db2.gz KHSZEIKGJIASQO-SHTZXODSSA-N 0 3 331.372 2.026 20 5 EEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cccc3ccccc32)C1 ZINC001042705249 1232142569 /nfs/dbraw/zinc/14/25/69/1232142569.db2.gz OJBOADHFDWNKJN-QZTJIDSGSA-N 0 3 339.395 2.148 20 5 EEBDHN Cc1nsc(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001152707408 1286326626 /nfs/dbraw/zinc/32/66/26/1286326626.db2.gz YXRGLPJGWNFOGL-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN Cc1ocnc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235000456 1305080163 /nfs/dbraw/zinc/08/01/63/1305080163.db2.gz MBCSCWBXNHTHPQ-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN CN(Cc1ccccc1)C(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580735 1318130615 /nfs/dbraw/zinc/13/06/15/1318130615.db2.gz FBWCHOTVTYCMOH-KRWDZBQOSA-N 0 3 339.395 2.310 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cccc(OC3COC3)n1)C2 ZINC001254586159 1318134920 /nfs/dbraw/zinc/13/49/20/1318134920.db2.gz HUTLAJFQVXLWMI-OAHLLOKOSA-N 0 3 341.367 2.024 20 5 EEBDHN O=C1CCC[C@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594579 1318137124 /nfs/dbraw/zinc/13/71/24/1318137124.db2.gz GEMHRGRNYAHOEP-SJLPKXTDSA-N 0 3 329.400 2.197 20 5 EEBDHN CCOC(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611790 1318145999 /nfs/dbraw/zinc/14/59/99/1318145999.db2.gz SYOYEUVXQGUKNK-INIZCTEOSA-N 0 3 333.388 2.273 20 5 EEBDHN CCc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001156915802 1318285213 /nfs/dbraw/zinc/28/52/13/1318285213.db2.gz KWSISKNNRBISHH-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN COC(=O)c1cc(N[C@H]2CCCC[C@@]23CNCCO3)cc([N+](=O)[O-])c1 ZINC001163650101 1321181268 /nfs/dbraw/zinc/18/12/68/1321181268.db2.gz KGKAJYSDUNTBDC-DOTOQJQBSA-N 0 3 349.387 2.095 20 5 EEBDHN COCCCN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165096295 1321453696 /nfs/dbraw/zinc/45/36/96/1321453696.db2.gz GLBHMUGZJIFXIP-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN CCc1nocc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001166121337 1321657625 /nfs/dbraw/zinc/65/76/25/1321657625.db2.gz QLRVFQNGGJPCKK-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN CC(C)(C)N1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001317895183 1332442196 /nfs/dbraw/zinc/44/21/96/1332442196.db2.gz QMAHCURNYBLTNW-UHFFFAOYSA-N 0 3 344.419 2.227 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC001318433220 1332533408 /nfs/dbraw/zinc/53/34/08/1332533408.db2.gz GIOGJVDBRNXBKS-ZIAGYGMSSA-N 0 3 341.433 2.054 20 5 EEBDHN CNc1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320495062 1332897279 /nfs/dbraw/zinc/89/72/79/1332897279.db2.gz DZOBPXATTSROQX-GFCCVEGCSA-N 0 3 329.360 2.496 20 5 EEBDHN O=C(Nc1ccc2c(c1)CNC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001580769799 1344556830 /nfs/dbraw/zinc/55/68/30/1344556830.db2.gz CRYKQFKJOYMCLR-UHFFFAOYSA-N 0 3 341.352 2.455 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603894776 1350796403 /nfs/dbraw/zinc/79/64/03/1350796403.db2.gz ISNBWWMIRRFLTQ-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603894776 1350796406 /nfs/dbraw/zinc/79/64/06/1350796406.db2.gz ISNBWWMIRRFLTQ-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603894776 1350796410 /nfs/dbraw/zinc/79/64/10/1350796410.db2.gz ISNBWWMIRRFLTQ-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603894776 1350796413 /nfs/dbraw/zinc/79/64/13/1350796413.db2.gz ISNBWWMIRRFLTQ-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604740203 1350995297 /nfs/dbraw/zinc/99/52/97/1350995297.db2.gz SYRRAIKIPNUDIO-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604740203 1350995299 /nfs/dbraw/zinc/99/52/99/1350995299.db2.gz SYRRAIKIPNUDIO-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604740203 1350995303 /nfs/dbraw/zinc/99/53/03/1350995303.db2.gz SYRRAIKIPNUDIO-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604740203 1350995304 /nfs/dbraw/zinc/99/53/04/1350995304.db2.gz SYRRAIKIPNUDIO-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(C)C1(C(=O)NC[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001091486483 790976475 /nfs/dbraw/zinc/97/64/75/790976475.db2.gz UWILPRJFQLULKW-CTYIDZIISA-N 0 3 346.431 2.386 20 5 EEBDHN Cc1c[nH]c(C(=O)N2CCC(NCc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000997080689 788695567 /nfs/dbraw/zinc/69/55/67/788695567.db2.gz TUZUOOJPUSOKML-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000923308293 789334321 /nfs/dbraw/zinc/33/43/21/789334321.db2.gz BKWRCTCAAKXKSC-DOTOQJQBSA-N 0 3 346.431 2.482 20 5 EEBDHN CC([C@H](OC(=O)c1cc2n(n1)CCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845879336 789973253 /nfs/dbraw/zinc/97/32/53/789973253.db2.gz IRDLMXJQLLSLIP-BMIGLBTASA-N 0 3 349.318 2.368 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001095228598 797551905 /nfs/dbraw/zinc/55/19/05/797551905.db2.gz MCLAQNRSPUARGP-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000027763335 798959662 /nfs/dbraw/zinc/95/96/62/798959662.db2.gz UIZBNCAULSUQMU-LLVKDONJSA-N 0 3 336.348 2.107 20 5 EEBDHN Cc1ncoc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086334805 802772740 /nfs/dbraw/zinc/77/27/40/802772740.db2.gz NTGQDTCAVYCPJU-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035948 803580003 /nfs/dbraw/zinc/58/00/03/803580003.db2.gz MIHLKVRDVIHEOO-GJZGRUSLSA-N 0 3 347.415 2.025 20 5 EEBDHN CC(C)(C)OC(=O)N[C@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037538 803581457 /nfs/dbraw/zinc/58/14/57/803581457.db2.gz SBUBPQQEXPUUDO-SYQHCUMBSA-N 0 3 345.415 2.369 20 5 EEBDHN COc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001169068473 803602453 /nfs/dbraw/zinc/60/24/53/803602453.db2.gz YWXZPZJXGVGMGE-UHFFFAOYSA-N 0 3 333.344 2.106 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000174877510 231333053 /nfs/dbraw/zinc/33/30/53/231333053.db2.gz GMPMXSDTHIRBEN-MRXNPFEDSA-N 0 3 330.388 2.330 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183473595 235098020 /nfs/dbraw/zinc/09/80/20/235098020.db2.gz ICSUYOGSBCUPEE-GFCCVEGCSA-N 0 3 327.768 2.201 20 5 EEBDHN CCn1nc(C)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000425992498 241194802 /nfs/dbraw/zinc/19/48/02/241194802.db2.gz DTRFJOTYNYBLFX-UHFFFAOYSA-N 0 3 332.408 2.462 20 5 EEBDHN Cc1c(NC(=O)CCN(C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000111280593 220133827 /nfs/dbraw/zinc/13/38/27/220133827.db2.gz DSJWENMXDCJGIU-UHFFFAOYSA-N 0 3 331.376 2.060 20 5 EEBDHN Cc1nn(C)c(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000270363889 256127874 /nfs/dbraw/zinc/12/78/74/256127874.db2.gz HQQOYSNQTSIDHK-UHFFFAOYSA-N 0 3 331.376 2.259 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000118827221 221190289 /nfs/dbraw/zinc/19/02/89/221190289.db2.gz KQUHOPWOOAJZSY-UHFFFAOYSA-N 0 3 340.811 2.214 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1cnccn1 ZINC000271351695 256235576 /nfs/dbraw/zinc/23/55/76/256235576.db2.gz OQPCAEQJGLFNPL-UHFFFAOYSA-N 0 3 343.387 2.196 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000273489220 256300722 /nfs/dbraw/zinc/30/07/22/256300722.db2.gz KJNISLCSKBLKPS-HOTGVXAUSA-N 0 3 349.456 2.176 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000275829859 256383367 /nfs/dbraw/zinc/38/33/67/256383367.db2.gz YFRRCCUWJQYJIM-LLVKDONJSA-N 0 3 334.376 2.375 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1(N(C)C)CCC1 ZINC000186992230 533328866 /nfs/dbraw/zinc/32/88/66/533328866.db2.gz OBHGPJRPBNDUNG-ZDUSSCGKSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1C ZINC000191839206 533511199 /nfs/dbraw/zinc/51/11/99/533511199.db2.gz FXAFZBXUFIFDIK-CYBMUJFWSA-N 0 3 335.404 2.326 20 5 EEBDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000355858755 153174104 /nfs/dbraw/zinc/17/41/04/153174104.db2.gz XODWIJIYZJOBQM-UHFFFAOYSA-N 0 3 335.408 2.094 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(CS(C)(=O)=O)CC1 ZINC000345043620 161266350 /nfs/dbraw/zinc/26/63/50/161266350.db2.gz JHRRCOZRSYIPIA-MDWZMJQESA-N 0 3 338.429 2.413 20 5 EEBDHN COc1c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981485 163040230 /nfs/dbraw/zinc/04/02/30/163040230.db2.gz OHXVIBUUCPFECT-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000355303256 163137768 /nfs/dbraw/zinc/13/77/68/163137768.db2.gz GGMRJLDRTRNVGT-QGZVFWFLSA-N 0 3 341.367 2.414 20 5 EEBDHN Cc1c(CN2CCN([C@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547611 165180895 /nfs/dbraw/zinc/18/08/95/165180895.db2.gz RTLLHYXKCAQMDG-KRWDZBQOSA-N 0 3 332.448 2.115 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364801837 165279727 /nfs/dbraw/zinc/27/97/27/165279727.db2.gz PVBUPLYGXGCTBA-LSDHHAIUSA-N 0 3 347.415 2.311 20 5 EEBDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000275532488 269121918 /nfs/dbraw/zinc/12/19/18/269121918.db2.gz MAOVGGTVIWHZCC-BBRMVZONSA-N 0 3 346.387 2.440 20 5 EEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000277443012 269156693 /nfs/dbraw/zinc/15/66/93/269156693.db2.gz FQBGEDRPLNZUIC-CYBMUJFWSA-N 0 3 347.371 2.070 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000277530741 269160554 /nfs/dbraw/zinc/16/05/54/269160554.db2.gz MLYLAQRYOBYOER-CYBMUJFWSA-N 0 3 332.404 2.232 20 5 EEBDHN CC(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CCN(C)CC1 ZINC000278500836 269234538 /nfs/dbraw/zinc/23/45/38/269234538.db2.gz XDUIMLPMSOKOFM-QGZVFWFLSA-N 0 3 347.463 2.247 20 5 EEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280656280 269383024 /nfs/dbraw/zinc/38/30/24/269383024.db2.gz ZODRLKYIBKMQCB-DLBZAZTESA-N 0 3 343.383 2.177 20 5 EEBDHN CCOC1CC(O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000277651242 274321022 /nfs/dbraw/zinc/32/10/22/274321022.db2.gz FPWRRKLHCAQMPV-UHFFFAOYSA-N 0 3 346.330 2.216 20 5 EEBDHN CC1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280986096 274619148 /nfs/dbraw/zinc/61/91/48/274619148.db2.gz NUXIJFWCSLCIJF-UHFFFAOYSA-N 0 3 331.376 2.387 20 5 EEBDHN CC(C)(NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292147824 275384300 /nfs/dbraw/zinc/38/43/00/275384300.db2.gz NDRNPZKDZURLEV-LBPRGKRZSA-N 0 3 326.418 2.244 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@@H](C)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293364499 293191149 /nfs/dbraw/zinc/19/11/49/293191149.db2.gz IPVCJVSFYXAIDU-BETUJISGSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413478464 312869667 /nfs/dbraw/zinc/86/96/67/312869667.db2.gz IKEUVAHLOSLFSW-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN COC(=O)[C@@H]1CN(C)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414485341 313033696 /nfs/dbraw/zinc/03/36/96/313033696.db2.gz HXYGEDGFDMQFLE-IHWMJMDHSA-N 0 3 347.415 2.035 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415489156 313130135 /nfs/dbraw/zinc/13/01/35/313130135.db2.gz WOGHQWOJDISWLG-WCQYABFASA-N 0 3 336.392 2.446 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415572478 313146521 /nfs/dbraw/zinc/14/65/21/313146521.db2.gz BHBZAMFZRIAICC-YPMHNXCESA-N 0 3 336.392 2.446 20 5 EEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452037003 315487465 /nfs/dbraw/zinc/48/74/65/315487465.db2.gz SXGDJUMCXNOIEQ-NVXWUHKLSA-N 0 3 347.415 2.421 20 5 EEBDHN CN(C)[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000514735467 316418483 /nfs/dbraw/zinc/41/84/83/316418483.db2.gz DLXSKQLKHKSHGA-HNNXBMFYSA-N 0 3 346.387 2.409 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000534713103 317950670 /nfs/dbraw/zinc/95/06/70/317950670.db2.gz AWGWZDLRUFYZBY-MRXNPFEDSA-N 0 3 332.404 2.017 20 5 EEBDHN CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543599335 318163463 /nfs/dbraw/zinc/16/34/63/318163463.db2.gz UPEDOWWLXITLEW-HNNXBMFYSA-N 0 3 326.418 2.393 20 5 EEBDHN COc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000566107985 319245252 /nfs/dbraw/zinc/24/52/52/319245252.db2.gz QUONOKXTJKERCJ-UHFFFAOYSA-N 0 3 330.344 2.117 20 5 EEBDHN Cn1ncc2c1CCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577621829 320266749 /nfs/dbraw/zinc/26/67/49/320266749.db2.gz GWWZYJZGPCTXCR-CYBMUJFWSA-N 0 3 343.387 2.324 20 5 EEBDHN Cc1c(CNC(=O)C[C@@H](N)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000577741047 320273081 /nfs/dbraw/zinc/27/30/81/320273081.db2.gz UWHSJTBZHQMZNA-INIZCTEOSA-N 0 3 327.384 2.480 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000580405234 324054000 /nfs/dbraw/zinc/05/40/00/324054000.db2.gz YNYZELCCDZYEKK-SMDDNHRTSA-N 0 3 335.429 2.483 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032838 465057492 /nfs/dbraw/zinc/05/74/92/465057492.db2.gz ZUVRIFKRBFPZEM-XJKSGUPXSA-N 0 3 347.415 2.356 20 5 EEBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCC1CC1 ZINC000088601614 462638925 /nfs/dbraw/zinc/63/89/25/462638925.db2.gz KHKPFWGLMTUXRV-UHFFFAOYSA-N 0 3 349.387 2.251 20 5 EEBDHN CCCNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532959 462791558 /nfs/dbraw/zinc/79/15/58/462791558.db2.gz ZBMBSAXDSXZWIN-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN COc1ccc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000090523083 462796362 /nfs/dbraw/zinc/79/63/62/462796362.db2.gz GSHQUQIUJFHZPQ-OAHLLOKOSA-N 0 3 343.383 2.255 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1CCO ZINC000117340808 462799804 /nfs/dbraw/zinc/79/98/04/462799804.db2.gz AENWXOGBNWOWKV-ZDUSSCGKSA-N 0 3 349.387 2.130 20 5 EEBDHN CC(=O)N(C)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119812586 462930687 /nfs/dbraw/zinc/93/06/87/462930687.db2.gz YQIJQSWMHANCRR-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092606280 462964543 /nfs/dbraw/zinc/96/45/43/462964543.db2.gz YFXFTMJOFNZJLF-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056341382 463393023 /nfs/dbraw/zinc/39/30/23/463393023.db2.gz LNYWQEOAFFOODU-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN O=C1CCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104730687 463420824 /nfs/dbraw/zinc/42/08/24/463420824.db2.gz QFDCNGQSZYSVDD-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057721685 463515031 /nfs/dbraw/zinc/51/50/31/463515031.db2.gz GXOVTDVURIQJTR-LLVKDONJSA-N 0 3 332.404 2.382 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000059389284 463643283 /nfs/dbraw/zinc/64/32/83/463643283.db2.gz SGXZALAVFCYMJV-ZDUSSCGKSA-N 0 3 334.420 2.235 20 5 EEBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000171448737 463866036 /nfs/dbraw/zinc/86/60/36/463866036.db2.gz KIDLWUJBFYMHDW-HNNXBMFYSA-N 0 3 344.415 2.479 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000269312148 463950142 /nfs/dbraw/zinc/95/01/42/463950142.db2.gz ALKYYQNWCAQPRR-UHFFFAOYSA-N 0 3 345.403 2.433 20 5 EEBDHN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c(N)c([N+](=O)[O-])c1 ZINC000262193984 463970082 /nfs/dbraw/zinc/97/00/82/463970082.db2.gz JUJLCVMQYQHJPO-LSDHHAIUSA-N 0 3 340.383 2.052 20 5 EEBDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399099 463993070 /nfs/dbraw/zinc/99/30/70/463993070.db2.gz RUSZIYXXHMLUDG-GDBMZVCRSA-N 0 3 335.404 2.377 20 5 EEBDHN C[C@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000263722141 464167531 /nfs/dbraw/zinc/16/75/31/464167531.db2.gz KAEVEVKELIWXEM-KBPBESRZSA-N 0 3 334.420 2.315 20 5 EEBDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270814 464180880 /nfs/dbraw/zinc/18/08/80/464180880.db2.gz SDROUOFKQPWSAV-SUMWQHHRSA-N 0 3 343.383 2.221 20 5 EEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236818421 464228615 /nfs/dbraw/zinc/22/86/15/464228615.db2.gz IBZGCGAAYINQMH-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1C ZINC000188616111 464325128 /nfs/dbraw/zinc/32/51/28/464325128.db2.gz SUOAURBLHFVLJS-KGLIPLIRSA-N 0 3 333.388 2.221 20 5 EEBDHN O=C(c1ccncc1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000237902421 464400452 /nfs/dbraw/zinc/40/04/52/464400452.db2.gz LJBNROQQQIIMSE-UHFFFAOYSA-N 0 3 346.412 2.446 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CCN(C)CC1 ZINC000271980424 464434285 /nfs/dbraw/zinc/43/42/85/464434285.db2.gz OMLYUQUNUYVKIL-GFCCVEGCSA-N 0 3 335.429 2.454 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294807452 464611810 /nfs/dbraw/zinc/61/18/10/464611810.db2.gz PJOVRDVVVVTSHP-SNVBAGLBSA-N 0 3 331.294 2.438 20 5 EEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285692137 464661571 /nfs/dbraw/zinc/66/15/71/464661571.db2.gz GYRXNXQODHPCGX-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000265806734 464692944 /nfs/dbraw/zinc/69/29/44/464692944.db2.gz SAAUZNRCWNWBKA-HZPDHXFCSA-N 0 3 342.399 2.285 20 5 EEBDHN COC[C@]1(C(=O)OC)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000295120222 464712214 /nfs/dbraw/zinc/71/22/14/464712214.db2.gz IREVXHBTRMNJRG-DYVFJYSZSA-N 0 3 336.388 2.476 20 5 EEBDHN Nc1c(C(=O)N2CCCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176819707 464859045 /nfs/dbraw/zinc/85/90/45/464859045.db2.gz BFGVUNSASALLFQ-UHFFFAOYSA-N 0 3 332.404 2.268 20 5 EEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000184476771 464981585 /nfs/dbraw/zinc/98/15/85/464981585.db2.gz YLJKIRNGOYSQMQ-OGHNNQOOSA-N 0 3 344.415 2.123 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000343801749 465555256 /nfs/dbraw/zinc/55/52/56/465555256.db2.gz DCNSUNAGZIBBOI-BXUZGUMPSA-N 0 3 330.392 2.379 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299078541 465591066 /nfs/dbraw/zinc/59/10/66/465591066.db2.gz IAZWTWPOUYJBGN-NEPJUHHUSA-N 0 3 345.403 2.321 20 5 EEBDHN Cn1cc(N2CC[C@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000361011875 465701534 /nfs/dbraw/zinc/70/15/34/465701534.db2.gz KQKMODWTFURHIB-DRDHIDPGSA-N 0 3 327.388 2.210 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000330605582 465729279 /nfs/dbraw/zinc/72/92/79/465729279.db2.gz ZHPFEKWSRRETTF-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119418 465776850 /nfs/dbraw/zinc/77/68/50/465776850.db2.gz IQWMKRLTAMLGRW-XHDPSFHLSA-N 0 3 335.335 2.219 20 5 EEBDHN COc1ccc(CN(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033723 465930476 /nfs/dbraw/zinc/93/04/76/465930476.db2.gz AQKWQYLUFJPBTF-HNNXBMFYSA-N 0 3 337.420 2.146 20 5 EEBDHN CC[C@H](N[C@@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711656 465962278 /nfs/dbraw/zinc/96/22/78/465962278.db2.gz MMXLXMKWPNBDGL-GVDBMIGSSA-N 0 3 338.404 2.456 20 5 EEBDHN Cc1nnc(CCN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000353577483 465989759 /nfs/dbraw/zinc/98/97/59/465989759.db2.gz BZYRMDQFMMTKJF-JTQLQIEISA-N 0 3 349.416 2.304 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548741220 468465014 /nfs/dbraw/zinc/46/50/14/468465014.db2.gz IAMNBRZAPWCVTF-LLVKDONJSA-N 0 3 331.376 2.177 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000346228568 466009556 /nfs/dbraw/zinc/00/95/56/466009556.db2.gz RICQYZCZQPNJIQ-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000331371063 466053206 /nfs/dbraw/zinc/05/32/06/466053206.db2.gz DNLLKHPJYNMCMS-VHSXEESVSA-N 0 3 339.342 2.157 20 5 EEBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000361534246 466083010 /nfs/dbraw/zinc/08/30/10/466083010.db2.gz WSACCULKAZYDQY-LSDHHAIUSA-N 0 3 348.447 2.410 20 5 EEBDHN Cn1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336020 466086264 /nfs/dbraw/zinc/08/62/64/466086264.db2.gz PKEZPCMUBWTZAM-RRQGHBQHSA-N 0 3 342.399 2.198 20 5 EEBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762278 466267012 /nfs/dbraw/zinc/26/70/12/466267012.db2.gz ASCSEXNIJHDFKI-ARFHVFGLSA-N 0 3 333.388 2.247 20 5 EEBDHN Cc1c(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330673 466306654 /nfs/dbraw/zinc/30/66/54/466306654.db2.gz HQIAYRIFCXAVKN-YJBOKZPZSA-N 0 3 346.475 2.361 20 5 EEBDHN CCN(C)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000311706461 466525656 /nfs/dbraw/zinc/52/56/56/466525656.db2.gz MWJDGUDPBIWAHW-SNVBAGLBSA-N 0 3 333.182 2.049 20 5 EEBDHN CN1CC[C@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144916 466493303 /nfs/dbraw/zinc/49/33/03/466493303.db2.gz VCRWNEBCECUXNT-KRWDZBQOSA-N 0 3 331.372 2.011 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN([C@@H](C)CO)CC1 ZINC000347289345 466538983 /nfs/dbraw/zinc/53/89/83/466538983.db2.gz QXXQUVJVTCYOMC-SFKKXYGYSA-N 0 3 333.432 2.387 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000423224042 466699684 /nfs/dbraw/zinc/69/96/84/466699684.db2.gz BJWNOPAFRBRQJR-AWEZNQCLSA-N 0 3 341.415 2.443 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192136 466740415 /nfs/dbraw/zinc/74/04/15/466740415.db2.gz VIJOSQPDDXFBDB-JMPLFQLZSA-N 0 3 349.387 2.088 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)CNC2 ZINC000417760935 466927085 /nfs/dbraw/zinc/92/70/85/466927085.db2.gz GRBGTUQYBNUQMY-UHFFFAOYSA-N 0 3 340.383 2.240 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424204987 467003370 /nfs/dbraw/zinc/00/33/70/467003370.db2.gz VYBWVYSJGLBMCL-UONOGXRCSA-N 0 3 334.372 2.425 20 5 EEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CC(C)C)n1 ZINC000427613197 467167190 /nfs/dbraw/zinc/16/71/90/467167190.db2.gz BRFUHOYPHKLTGK-CYBMUJFWSA-N 0 3 337.424 2.052 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ccncc2)C1 ZINC000451008223 467224226 /nfs/dbraw/zinc/22/42/26/467224226.db2.gz WOAYARNCFYAIED-OAHLLOKOSA-N 0 3 328.372 2.031 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000379496237 467368178 /nfs/dbraw/zinc/36/81/78/467368178.db2.gz QXUDDDMNHIPKPQ-RKDXNWHRSA-N 0 3 342.193 2.180 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000434015477 467372147 /nfs/dbraw/zinc/37/21/47/467372147.db2.gz ZWWRHGHYQVKICI-UHFFFAOYSA-N 0 3 349.391 2.238 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000434015477 467372149 /nfs/dbraw/zinc/37/21/49/467372149.db2.gz ZWWRHGHYQVKICI-UHFFFAOYSA-N 0 3 349.391 2.238 20 5 EEBDHN C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000438338795 467565033 /nfs/dbraw/zinc/56/50/33/467565033.db2.gz LFDDQBQXPIHKJZ-LYASGUKUSA-N 0 3 333.432 2.385 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000497056490 467810817 /nfs/dbraw/zinc/81/08/17/467810817.db2.gz RXBAAMLNJAZFRK-SECBINFHSA-N 0 3 325.321 2.251 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000493446616 467912788 /nfs/dbraw/zinc/91/27/88/467912788.db2.gz CTTSLJXELZTYMZ-MOEUOMFESA-N 0 3 335.791 2.424 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251068 468039873 /nfs/dbraw/zinc/03/98/73/468039873.db2.gz NKQUAWAQJVUULK-XMZIXOGTSA-N 0 3 337.376 2.088 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CN1C1CC1 ZINC000516943392 468057805 /nfs/dbraw/zinc/05/78/05/468057805.db2.gz YJVDXFCBSYNLPM-NXEZZACHSA-N 0 3 329.360 2.281 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000592396718 468689675 /nfs/dbraw/zinc/68/96/75/468689675.db2.gz JKIUQLHAXRHHRF-UHFFFAOYSA-N 0 3 349.412 2.149 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000559716890 468753576 /nfs/dbraw/zinc/75/35/76/468753576.db2.gz SRNJSULUYZWLDD-LBPRGKRZSA-N 0 3 336.392 2.457 20 5 EEBDHN CCCN1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000598342438 468837025 /nfs/dbraw/zinc/83/70/25/468837025.db2.gz NJVXVWLILAFQLR-AWEZNQCLSA-N 0 3 330.388 2.150 20 5 EEBDHN COC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593128551 468881151 /nfs/dbraw/zinc/88/11/51/468881151.db2.gz HELXIBDLPZZOQU-JKSUJKDBSA-N 0 3 334.372 2.105 20 5 EEBDHN Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000598716209 468970816 /nfs/dbraw/zinc/97/08/16/468970816.db2.gz AKTMBCIYVATBNG-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN COCC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602674762 469003186 /nfs/dbraw/zinc/00/31/86/469003186.db2.gz ZABOZQLGKMDEAE-UHFFFAOYSA-N 0 3 335.360 2.269 20 5 EEBDHN COC1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587993707 469100078 /nfs/dbraw/zinc/10/00/78/469100078.db2.gz DYLJYSSZTQFDRC-UHFFFAOYSA-N 0 3 337.405 2.122 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611092504 469159658 /nfs/dbraw/zinc/15/96/58/469159658.db2.gz WJPQXKDNFIBCAI-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000611208166 469192918 /nfs/dbraw/zinc/19/29/18/469192918.db2.gz HLWREOIXTRZRRG-AWEZNQCLSA-N 0 3 343.387 2.275 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000602299507 469275518 /nfs/dbraw/zinc/27/55/18/469275518.db2.gz DWNPCIQTZBRISI-UHFFFAOYSA-N 0 3 348.334 2.322 20 5 EEBDHN Cc1noc(C)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521420 469348789 /nfs/dbraw/zinc/34/87/89/469348789.db2.gz OBUTXDWPDZFBHT-UHFFFAOYSA-N 0 3 331.376 2.353 20 5 EEBDHN COc1ccc(CC(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000609347932 469921809 /nfs/dbraw/zinc/92/18/09/469921809.db2.gz GTXMVITYLAVPNU-HNNXBMFYSA-N 0 3 347.415 2.233 20 5 EEBDHN CS(=O)(=O)Nc1cccc(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000610271381 469997788 /nfs/dbraw/zinc/99/77/88/469997788.db2.gz PTCYWLNAHXBCKB-UHFFFAOYSA-N 0 3 349.412 2.299 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000110490618 519356419 /nfs/dbraw/zinc/35/64/19/519356419.db2.gz ROWZSQBFKGWUAB-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411430994 527930310 /nfs/dbraw/zinc/93/03/10/527930310.db2.gz UEJUTJIHPKYGGN-UONOGXRCSA-N 0 3 334.420 2.338 20 5 EEBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000264297110 535903796 /nfs/dbraw/zinc/90/37/96/535903796.db2.gz WTQZXUNJQWSANI-UHFFFAOYSA-N 0 3 347.371 2.101 20 5 EEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771507755 577216221 /nfs/dbraw/zinc/21/62/21/577216221.db2.gz AETIOYQOAIGUSS-LLVKDONJSA-N 0 3 349.416 2.156 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000765424136 577500759 /nfs/dbraw/zinc/50/07/59/577500759.db2.gz BSDKRQDNEUYHAN-OLZOCXBDSA-N 0 3 341.408 2.160 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCN1C ZINC000742413112 577872688 /nfs/dbraw/zinc/87/26/88/577872688.db2.gz ZWCHZQZIYAXUEH-YPMHNXCESA-N 0 3 332.404 2.382 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821581488 606474020 /nfs/dbraw/zinc/47/40/20/606474020.db2.gz MONWXCBXQCHASO-RYUDHWBXSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821581488 606474022 /nfs/dbraw/zinc/47/40/22/606474022.db2.gz MONWXCBXQCHASO-RYUDHWBXSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCN1C ZINC000895245030 684368950 /nfs/dbraw/zinc/36/89/50/684368950.db2.gz CKDYKRYVCHNNFP-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CN(C)CCN1C ZINC000895249732 684376904 /nfs/dbraw/zinc/37/69/04/684376904.db2.gz XBWUQAOZCWXERS-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1CN(C)CCN1C ZINC000895247920 684384122 /nfs/dbraw/zinc/38/41/22/684384122.db2.gz KERLVWXXPVJWGR-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072634402 1192767604 /nfs/dbraw/zinc/76/76/04/1192767604.db2.gz DWWMDWZUKZVWPY-UHFFFAOYSA-N 0 3 332.404 2.021 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072634392 1192767659 /nfs/dbraw/zinc/76/76/59/1192767659.db2.gz BITXHELHDFHENR-UHFFFAOYSA-N 0 3 346.431 2.411 20 5 EEBDHN COc1csc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001132245454 1199495379 /nfs/dbraw/zinc/49/53/79/1199495379.db2.gz GFOKMTSZTIVTGV-UHFFFAOYSA-N 0 3 335.385 2.185 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877345761 1199909548 /nfs/dbraw/zinc/90/95/48/1199909548.db2.gz BITRMOOXBDTCEC-INIZCTEOSA-N 0 3 325.368 2.348 20 5 EEBDHN CC(COC(=O)c1cnc2ncc(Br)cc2c1)[N+](=O)[O-] ZINC000813107972 1201117388 /nfs/dbraw/zinc/11/73/88/1201117388.db2.gz SJLUZEMLUPGNGR-ZETCQYMHSA-N 0 3 340.133 2.214 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000868607109 1201844880 /nfs/dbraw/zinc/84/48/80/1201844880.db2.gz MOOBCBVVJXUWAW-LBPRGKRZSA-N 0 3 335.379 2.219 20 5 EEBDHN COCCN1[C@H](C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000129748807 1201900693 /nfs/dbraw/zinc/90/06/93/1201900693.db2.gz QZAJQEUXYZZOJO-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN Cn1cc(CN[C@H](CO)CC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883103835 1202013145 /nfs/dbraw/zinc/01/31/45/1202013145.db2.gz HDUBKWPHBUCSOZ-LBPRGKRZSA-N 0 3 340.330 2.101 20 5 EEBDHN Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020118395 1229493028 /nfs/dbraw/zinc/49/30/28/1229493028.db2.gz OXWDTFHFEZQSLA-HDJSIYSDSA-N 0 3 328.372 2.282 20 5 EEBDHN C/C=C(/C)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048754816 1238528107 /nfs/dbraw/zinc/52/81/07/1238528107.db2.gz VVUZMVSAHPTGGZ-BWEGZWNPSA-N 0 3 329.400 2.451 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001097073959 1243659580 /nfs/dbraw/zinc/65/95/80/1243659580.db2.gz FHRSMBPQVOEZRT-JOCQHMNTSA-N 0 3 332.404 2.138 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC001135211732 1278249259 /nfs/dbraw/zinc/24/92/59/1278249259.db2.gz BZZVHYDWPZHXME-UHFFFAOYSA-N 0 3 341.367 2.145 20 5 EEBDHN CC(COC(=O)[C@@]1(C)CC1(Br)Br)[N+](=O)[O-] ZINC000851036223 1277447355 /nfs/dbraw/zinc/44/73/55/1277447355.db2.gz GOMLOVOAFFJMOP-CAHLUQPWSA-N 0 3 344.987 2.091 20 5 EEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855287298 1293154922 /nfs/dbraw/zinc/15/49/22/1293154922.db2.gz KYMMGMSZFYJMHB-NSHDSACASA-N 0 3 336.348 2.106 20 5 EEBDHN CC([C@H](OC(=O)c1cn(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000860854448 1295142863 /nfs/dbraw/zinc/14/28/63/1295142863.db2.gz AERCCFQIMINKNF-OTYXRUKQSA-N 0 3 334.307 2.315 20 5 EEBDHN CC(C)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102196725 1300545832 /nfs/dbraw/zinc/54/58/32/1300545832.db2.gz WLNHYETXTXNOAF-GASCZTMLSA-N 0 3 346.431 2.115 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4CNCCO4)n3)nc12 ZINC001248352094 1310893805 /nfs/dbraw/zinc/89/38/05/1310893805.db2.gz IKUDVEGFPKDCJP-AWEZNQCLSA-N 0 3 347.378 2.364 20 5 EEBDHN O=C(CCc1cccs1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150577461 1316304580 /nfs/dbraw/zinc/30/45/80/1316304580.db2.gz NUUOLHRKARGILZ-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN O=C(CC(F)(F)F)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155356361 1317563683 /nfs/dbraw/zinc/56/36/83/1317563683.db2.gz OSDYPYPVAIJUFB-UHFFFAOYSA-N 0 3 325.312 2.205 20 5 EEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC001254583628 1318130752 /nfs/dbraw/zinc/13/07/52/1318130752.db2.gz NLSAAYHHTRAFMF-INIZCTEOSA-N 0 3 337.379 2.241 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001254603738 1318140063 /nfs/dbraw/zinc/14/00/63/1318140063.db2.gz QNLJRJJSKNCHML-KRWDZBQOSA-N 0 3 339.399 2.064 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001254611325 1318143838 /nfs/dbraw/zinc/14/38/38/1318143838.db2.gz PNRHOCUYABTKQK-SJORKVTESA-N 0 3 340.383 2.395 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@H]1N(C)C ZINC001318389273 1332522180 /nfs/dbraw/zinc/52/21/80/1332522180.db2.gz FBHSCBFBBICQMW-CHWSQXEVSA-N 0 3 341.433 2.054 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC001318433219 1332533225 /nfs/dbraw/zinc/53/32/25/1332533225.db2.gz GIOGJVDBRNXBKS-UONOGXRCSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC001609602210 1352031471 /nfs/dbraw/zinc/03/14/71/1352031471.db2.gz REOASVNNSUJVIR-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC001609602210 1352031476 /nfs/dbraw/zinc/03/14/76/1352031476.db2.gz REOASVNNSUJVIR-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H](N3CC=CC3)C2)c1 ZINC000848479559 1338705887 /nfs/dbraw/zinc/70/58/87/1338705887.db2.gz FHPXUZRAQQBBGF-MRXNPFEDSA-N 0 3 339.399 2.362 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590513158 1349361737 /nfs/dbraw/zinc/36/17/37/1349361737.db2.gz ONKAZCFDVSLKFM-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590513158 1349361740 /nfs/dbraw/zinc/36/17/40/1349361740.db2.gz ONKAZCFDVSLKFM-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590513158 1349361746 /nfs/dbraw/zinc/36/17/46/1349361746.db2.gz ONKAZCFDVSLKFM-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590513158 1349361752 /nfs/dbraw/zinc/36/17/52/1349361752.db2.gz ONKAZCFDVSLKFM-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+]1CCCC[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591187691 1349448096 /nfs/dbraw/zinc/44/80/96/1349448096.db2.gz WTWJZPIRJYCVBT-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCCC[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591187691 1349448097 /nfs/dbraw/zinc/44/80/97/1349448097.db2.gz WTWJZPIRJYCVBT-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@@H+]1CCCC[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591187691 1349448102 /nfs/dbraw/zinc/44/81/02/1349448102.db2.gz WTWJZPIRJYCVBT-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCCC[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591187691 1349448105 /nfs/dbraw/zinc/44/81/05/1349448105.db2.gz WTWJZPIRJYCVBT-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC001111811545 1371259430 /nfs/dbraw/zinc/25/94/30/1371259430.db2.gz ZFBVKBSIYONSAK-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CN1CCC(NC(=S)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000840790035 782991467 /nfs/dbraw/zinc/99/14/67/782991467.db2.gz SSQRNICMBLYRHM-UHFFFAOYSA-N 0 3 343.840 2.133 20 5 EEBDHN CCCN(C)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091358765 790430126 /nfs/dbraw/zinc/43/01/26/790430126.db2.gz LGBIFLALLRONBJ-OKILXGFUSA-N 0 3 334.420 2.243 20 5 EEBDHN CN1Cc2ccccc2[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190871 785456107 /nfs/dbraw/zinc/45/61/07/785456107.db2.gz LMOLEUDGVGIDTB-QZTJIDSGSA-N 0 3 327.384 2.405 20 5 EEBDHN Cc1ccc(NC/C=C\CNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001107233162 786548867 /nfs/dbraw/zinc/54/88/67/786548867.db2.gz LPJLRNPYNQQDHS-WAYWQWQTSA-N 0 3 334.420 2.328 20 5 EEBDHN COc1ccc(NC(=O)CCN2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000844451876 789109539 /nfs/dbraw/zinc/10/95/39/789109539.db2.gz AKSWVAIDMXDTSN-PHIMTYICSA-N 0 3 341.314 2.129 20 5 EEBDHN CC([C@@H](OC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845882628 789973826 /nfs/dbraw/zinc/97/38/26/789973826.db2.gz PGAVILPKDDOJAL-OHUAYANFSA-N 0 3 338.335 2.134 20 5 EEBDHN CC(C)N(C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089944252 795115858 /nfs/dbraw/zinc/11/58/58/795115858.db2.gz UIMVSAFXJFDWFF-UHFFFAOYSA-N 0 3 349.435 2.028 20 5 EEBDHN CCCN(C)CC(=O)N(CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001106809183 796667233 /nfs/dbraw/zinc/66/72/33/796667233.db2.gz DWQJKJQDRKWIKM-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN O=C(COc1ccccc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001171890768 796784630 /nfs/dbraw/zinc/78/46/30/796784630.db2.gz QABLXAKRLKBHIV-UHFFFAOYSA-N 0 3 343.383 2.270 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H](O)C(F)(F)F)c1F ZINC001173178148 797277792 /nfs/dbraw/zinc/27/77/92/797277792.db2.gz AIUFIFSLHOVXQC-WRWORJQWSA-N 0 3 340.273 2.186 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001086324645 802743075 /nfs/dbraw/zinc/74/30/75/802743075.db2.gz HKWUYPWRAOYIID-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035955 803579926 /nfs/dbraw/zinc/57/99/26/803579926.db2.gz MIHLKVRDVIHEOO-LSDHHAIUSA-N 0 3 347.415 2.025 20 5 EEBDHN COc1ccc(CN2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022457 803589040 /nfs/dbraw/zinc/58/90/40/803589040.db2.gz BSEJHXABJPSRLJ-IRXDYDNUSA-N 0 3 333.432 2.258 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109452613 805489211 /nfs/dbraw/zinc/48/92/11/805489211.db2.gz XVGTZCDXRYPICJ-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328388 809892991 /nfs/dbraw/zinc/89/29/91/809892991.db2.gz KHKBWMPLEWUEHD-PJODQICGSA-N 0 3 326.368 2.329 20 5 EEBDHN CC[C@@](C)(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000189718925 529508291 /nfs/dbraw/zinc/50/82/91/529508291.db2.gz ILDHLTHQWTYNSY-QGZVFWFLSA-N 0 3 332.404 2.455 20 5 EEBDHN CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144042 529654224 /nfs/dbraw/zinc/65/42/24/529654224.db2.gz HNTXAQWFVADXDW-HOTGVXAUSA-N 0 3 335.404 2.273 20 5 EEBDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186776073 529902815 /nfs/dbraw/zinc/90/28/15/529902815.db2.gz FRNRTJMRWYDRAU-UHFFFAOYSA-N 0 3 340.811 2.213 20 5 EEBDHN CN(C(=O)CN[C@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132629098 223349509 /nfs/dbraw/zinc/34/95/09/223349509.db2.gz OUGGKUCJQACKAB-AWEZNQCLSA-N 0 3 335.404 2.493 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513612 242282805 /nfs/dbraw/zinc/28/28/05/242282805.db2.gz XPLTWUUCGFKABZ-HUUCEWRRSA-N 0 3 343.387 2.164 20 5 EEBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600815 243173961 /nfs/dbraw/zinc/17/39/61/243173961.db2.gz SWDQUYJYFHEAHV-GUYCJALGSA-N 0 3 337.420 2.412 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452172922 243364632 /nfs/dbraw/zinc/36/46/32/243364632.db2.gz LMXAKDIPVWXRFG-GFCCVEGCSA-N 0 3 335.379 2.219 20 5 EEBDHN CNc1nc(C(=O)Nc2ccccc2CCN(C)C)ccc1[N+](=O)[O-] ZINC000456031003 244135861 /nfs/dbraw/zinc/13/58/61/244135861.db2.gz SCGJTKUNCAZYEJ-UHFFFAOYSA-N 0 3 343.387 2.388 20 5 EEBDHN C[C@@H](CCO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000093303512 218212242 /nfs/dbraw/zinc/21/22/42/218212242.db2.gz MGINKPHYBGJIPJ-HNNXBMFYSA-N 0 3 345.399 2.030 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN1C1CC1 ZINC000267991567 256103203 /nfs/dbraw/zinc/10/32/03/256103203.db2.gz QDSILANTCNOITP-QWRGUYRKSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497413 256141525 /nfs/dbraw/zinc/14/15/25/256141525.db2.gz JXWBTEDZZWRKRQ-BBRMVZONSA-N 0 3 334.420 2.119 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159198 256121009 /nfs/dbraw/zinc/12/10/09/256121009.db2.gz HTJOETVBCLAZPW-NHYWBVRUSA-N 0 3 335.429 2.286 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000107263232 159329304 /nfs/dbraw/zinc/32/93/04/159329304.db2.gz KYWNUVVONTXAKQ-UHFFFAOYSA-N 0 3 346.362 2.333 20 5 EEBDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390211 161131295 /nfs/dbraw/zinc/13/12/95/161131295.db2.gz MAOVGGTVIWHZCC-CZUORRHYSA-N 0 3 346.387 2.440 20 5 EEBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000355786364 163301629 /nfs/dbraw/zinc/30/16/29/163301629.db2.gz NQCMJFMUQMNTLL-UHFFFAOYSA-N 0 3 349.478 2.396 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356145860 163349232 /nfs/dbraw/zinc/34/92/32/163349232.db2.gz OTVQEOCMBXAOOR-HNNXBMFYSA-N 0 3 345.403 2.141 20 5 EEBDHN CCN(CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000360004163 164212755 /nfs/dbraw/zinc/21/27/55/164212755.db2.gz BNYBWFMIRNDEFD-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1ccc([C@@]2(C)CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028263 166380354 /nfs/dbraw/zinc/38/03/54/166380354.db2.gz CJUPNDZJLRLKRE-ROUUACIJSA-N 0 3 344.415 2.124 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375902073 167222894 /nfs/dbraw/zinc/22/28/94/167222894.db2.gz MCKIKVCSSHBDKQ-IBGZPJMESA-N 0 3 346.475 2.238 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000272702720 269011437 /nfs/dbraw/zinc/01/14/37/269011437.db2.gz ZAKMHQMCZLYDGZ-MEDUHNTESA-N 0 3 328.372 2.242 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2cnc(C3OCCO3)s2)cc1 ZINC000279273973 269265793 /nfs/dbraw/zinc/26/57/93/269265793.db2.gz NSTXRJMTRPPRMP-UHFFFAOYSA-N 0 3 335.385 2.429 20 5 EEBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000272554457 274175275 /nfs/dbraw/zinc/17/52/75/274175275.db2.gz RYANZAOGAUAXQF-SUMWQHHRSA-N 0 3 343.431 2.490 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000449295237 274231124 /nfs/dbraw/zinc/23/11/24/274231124.db2.gz QUQZBGGXTOUXJQ-LBPRGKRZSA-N 0 3 326.418 2.083 20 5 EEBDHN COC1C2CC3CN(C(=O)CCOc4ccccc4[N+](=O)[O-])C1C3C2 ZINC000288629224 275077758 /nfs/dbraw/zinc/07/77/58/275077758.db2.gz YKJHMMCBQZJCDC-NUTGUDPMSA-N 0 3 346.383 2.246 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000291686211 275330086 /nfs/dbraw/zinc/33/00/86/275330086.db2.gz HDXBISFJGSPWGD-HNNXBMFYSA-N 0 3 343.387 2.375 20 5 EEBDHN COc1cc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301618186 294875460 /nfs/dbraw/zinc/87/54/60/294875460.db2.gz KWNWZTLKDVQBCV-LBPRGKRZSA-N 0 3 341.383 2.247 20 5 EEBDHN CCCN1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332408875 312003077 /nfs/dbraw/zinc/00/30/77/312003077.db2.gz DZHFPOHYDXHJGO-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN CS(=O)(=O)c1ccc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000414357401 313004095 /nfs/dbraw/zinc/00/40/95/313004095.db2.gz JDOMRBYEXCKYSC-UHFFFAOYSA-N 0 3 340.426 2.392 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999327 313683658 /nfs/dbraw/zinc/68/36/58/313683658.db2.gz WEJKGVIEYDDUOC-WDEREUQCSA-N 0 3 340.811 2.183 20 5 EEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420456196 313964662 /nfs/dbraw/zinc/96/46/62/313964662.db2.gz GSJZPNGSJITFMD-MRXNPFEDSA-N 0 3 349.412 2.136 20 5 EEBDHN CN1CCC(O)(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514728766 316417427 /nfs/dbraw/zinc/41/74/27/316417427.db2.gz HSUVINIHTGTVMD-ZDUSSCGKSA-N 0 3 347.337 2.245 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000524720894 317023747 /nfs/dbraw/zinc/02/37/47/317023747.db2.gz LBXADZGSNNWPDK-GFCCVEGCSA-N 0 3 332.404 2.241 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543452853 318158730 /nfs/dbraw/zinc/15/87/30/318158730.db2.gz XEWFTYLGRKEZQM-CYBMUJFWSA-N 0 3 329.784 2.447 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CCSCC2)cc1 ZINC000573596299 319949626 /nfs/dbraw/zinc/94/96/26/319949626.db2.gz MCHCFGGKAKYVJW-UHFFFAOYSA-N 0 3 344.458 2.101 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)c(F)c1N1CCOCC1 ZINC000577004874 320223825 /nfs/dbraw/zinc/22/38/25/320223825.db2.gz NJOSWOCMYNGWSQ-UHFFFAOYSA-N 0 3 338.383 2.078 20 5 EEBDHN COc1c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591028 465040819 /nfs/dbraw/zinc/04/08/19/465040819.db2.gz BMLBQRIRDATVSB-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354624241 465060330 /nfs/dbraw/zinc/06/03/30/465060330.db2.gz NZMLITBGNIWISM-ZDUSSCGKSA-N 0 3 334.420 2.417 20 5 EEBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341269558 465085190 /nfs/dbraw/zinc/08/51/90/465085190.db2.gz NNGOHPNHUFDOES-UHFFFAOYSA-N 0 3 344.415 3.037 20 5 EEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162082 465118120 /nfs/dbraw/zinc/11/81/20/465118120.db2.gz QDFUVRQWDXVFOE-JTQLQIEISA-N 0 3 349.357 2.081 20 5 EEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000296282088 465142134 /nfs/dbraw/zinc/14/21/34/465142134.db2.gz HHIOKQOGWOQMSS-ZDUSSCGKSA-N 0 3 334.376 2.448 20 5 EEBDHN COc1cc(CN[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533024 465219458 /nfs/dbraw/zinc/21/94/58/465219458.db2.gz PSMKGCQSGHVOIM-VHSXEESVSA-N 0 3 348.346 2.496 20 5 EEBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000351679807 465288947 /nfs/dbraw/zinc/28/89/47/465288947.db2.gz YFZJRSIYJJYWDR-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN COc1ccc(OCCN2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152950592 462598089 /nfs/dbraw/zinc/59/80/89/462598089.db2.gz AYTHYULRWZLPCM-CZUORRHYSA-N 0 3 336.388 2.483 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046379278 462674898 /nfs/dbraw/zinc/67/48/98/462674898.db2.gz MCJJHPBFTGYHCN-AWEZNQCLSA-N 0 3 334.420 2.468 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCN1CCOCC1 ZINC000076897607 462919633 /nfs/dbraw/zinc/91/96/33/462919633.db2.gz RNGNEKOUGQOLBC-AWEZNQCLSA-N 0 3 337.420 2.194 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000055403233 463316322 /nfs/dbraw/zinc/31/63/22/463316322.db2.gz YEGMYAFYIYJWFS-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000071893351 463458470 /nfs/dbraw/zinc/45/84/70/463458470.db2.gz KSXWWMPHRKLDPT-UHFFFAOYSA-N 0 3 347.415 2.360 20 5 EEBDHN CN(CCn1cccn1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000125240317 463520438 /nfs/dbraw/zinc/52/04/38/463520438.db2.gz KEHRKURYXVGRQA-UHFFFAOYSA-N 0 3 340.387 2.324 20 5 EEBDHN NC(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152433795 463690328 /nfs/dbraw/zinc/69/03/28/463690328.db2.gz WEGCALDCUNLYHR-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000170684609 463695347 /nfs/dbraw/zinc/69/53/47/463695347.db2.gz NBGISOASYDOIRZ-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276912951 463803999 /nfs/dbraw/zinc/80/39/99/463803999.db2.gz FZFUABNUTADLSY-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171744469 463917774 /nfs/dbraw/zinc/91/77/74/463917774.db2.gz NTRVBGHOEBVHHL-UHFFFAOYSA-N 0 3 334.420 2.121 20 5 EEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCCC1 ZINC000172269307 464033910 /nfs/dbraw/zinc/03/39/10/464033910.db2.gz UPWNEBCLFJESIX-UHFFFAOYSA-N 0 3 341.795 2.229 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000270271757 464242365 /nfs/dbraw/zinc/24/23/65/464242365.db2.gz GSQMYGMBOJFLDW-KRWDZBQOSA-N 0 3 346.431 2.407 20 5 EEBDHN O=C(C[C@@H]1CSCCN1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000238052256 464424770 /nfs/dbraw/zinc/42/47/70/464424770.db2.gz ADTDXDXOGLBRDV-CQSZACIVSA-N 0 3 337.445 2.129 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000281448091 464459095 /nfs/dbraw/zinc/45/90/95/464459095.db2.gz FBKQJKCXUZQNCL-ZBFHGGJFSA-N 0 3 347.415 2.225 20 5 EEBDHN CC(C)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294495485 464516953 /nfs/dbraw/zinc/51/69/53/464516953.db2.gz VBWGLGBDXIDSSI-UHFFFAOYSA-N 0 3 343.387 2.151 20 5 EEBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285346951 464532639 /nfs/dbraw/zinc/53/26/39/464532639.db2.gz YYBJPNSUCANAOZ-NSHDSACASA-N 0 3 349.416 2.021 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000182190942 464595418 /nfs/dbraw/zinc/59/54/18/464595418.db2.gz SGXMHNNHUDYDPI-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936150 464740483 /nfs/dbraw/zinc/74/04/83/464740483.db2.gz FAQUPTMWRLQFMO-QOWREQOWSA-N 0 3 333.388 2.325 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997415 464769192 /nfs/dbraw/zinc/76/91/92/464769192.db2.gz YCOWWKNLXLZZRF-DZGCQCFKSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000248884417 464814839 /nfs/dbraw/zinc/81/48/39/464814839.db2.gz UEVVBNDIAKBMBD-GXTWGEPZSA-N 0 3 333.388 2.160 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCC1 ZINC000276157146 464828444 /nfs/dbraw/zinc/82/84/44/464828444.db2.gz FQRQXUCIPWQYMC-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)s1 ZINC000192526194 464941332 /nfs/dbraw/zinc/94/13/32/464941332.db2.gz LYYYQDMZLIVLDK-CYBMUJFWSA-N 0 3 334.401 2.230 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177178093 464950879 /nfs/dbraw/zinc/95/08/79/464950879.db2.gz GGUUFIAQVLUBEQ-NEPJUHHUSA-N 0 3 335.429 2.428 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239293 464988355 /nfs/dbraw/zinc/98/83/55/464988355.db2.gz UNPHWEFNTAXVTL-LKFCYVNXSA-N 0 3 348.359 2.024 20 5 EEBDHN CN(CCCN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccco1 ZINC000286644767 464990077 /nfs/dbraw/zinc/99/00/77/464990077.db2.gz WCLNQSUQLMRDBW-UHFFFAOYSA-N 0 3 346.387 2.245 20 5 EEBDHN Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000351898142 465428337 /nfs/dbraw/zinc/42/83/37/465428337.db2.gz QIWIPDCSUHZVKH-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551117 465449187 /nfs/dbraw/zinc/44/91/87/465449187.db2.gz ZHNSVABFAOXTAG-NWDGAFQWSA-N 0 3 334.376 2.386 20 5 EEBDHN COc1cccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000298692923 465473470 /nfs/dbraw/zinc/47/34/70/465473470.db2.gz RUFRIPJZJLNHEG-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN CCN(C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360648625 465590543 /nfs/dbraw/zinc/59/05/43/465590543.db2.gz SCGCVFCWXGZOAS-UHFFFAOYSA-N 0 3 330.388 2.932 20 5 EEBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC=CCC1 ZINC000362262761 465614742 /nfs/dbraw/zinc/61/47/42/465614742.db2.gz QBBFLRYMEUDANB-OAHLLOKOSA-N 0 3 335.404 2.061 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000357018542 465705065 /nfs/dbraw/zinc/70/50/65/465705065.db2.gz ABHHUXKGBNRRRS-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346216006 465999456 /nfs/dbraw/zinc/99/94/56/465999456.db2.gz ZPOMTPTVYVLVGT-JTQLQIEISA-N 0 3 334.401 2.398 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346229323 466011596 /nfs/dbraw/zinc/01/15/96/466011596.db2.gz LUSUMMVUSKATDC-XHBSWPGZSA-N 0 3 332.404 2.101 20 5 EEBDHN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CC(C)(C)O ZINC000302493766 466146933 /nfs/dbraw/zinc/14/69/33/466146933.db2.gz LCOUQWVRWDHCPB-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000346798014 466161362 /nfs/dbraw/zinc/16/13/62/466161362.db2.gz PDNIGLBZVDBVQS-ZFWWWQNUSA-N 0 3 340.445 2.473 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c1C ZINC000349784312 466239085 /nfs/dbraw/zinc/23/90/85/466239085.db2.gz PTGBYBMWSQTXER-GFCCVEGCSA-N 0 3 343.449 2.219 20 5 EEBDHN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376213720 466899387 /nfs/dbraw/zinc/89/93/87/466899387.db2.gz YVXUXDSUSMDBPM-ZFWWWQNUSA-N 0 3 336.411 2.196 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969287 /nfs/dbraw/zinc/96/92/87/466969287.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969293 /nfs/dbraw/zinc/96/92/93/466969293.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969297 /nfs/dbraw/zinc/96/92/97/466969297.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN Cc1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709880 466974988 /nfs/dbraw/zinc/97/49/88/466974988.db2.gz RVTGAQBOCIGCGN-WMZOPIPTSA-N 0 3 346.475 2.361 20 5 EEBDHN C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000413110188 467171937 /nfs/dbraw/zinc/17/19/37/467171937.db2.gz HGVGVEASWIXZHN-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000450949166 467212955 /nfs/dbraw/zinc/21/29/55/467212955.db2.gz AAJPFCONTAJDPZ-GFCCVEGCSA-N 0 3 336.392 2.085 20 5 EEBDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318364 467325065 /nfs/dbraw/zinc/32/50/65/467325065.db2.gz NGZXBJBCXCJYJT-YPMHNXCESA-N 0 3 341.367 2.384 20 5 EEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000452344378 467351650 /nfs/dbraw/zinc/35/16/50/467351650.db2.gz NRTOJFGFAWVGNE-ZDUSSCGKSA-N 0 3 334.420 2.417 20 5 EEBDHN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414321581 467402321 /nfs/dbraw/zinc/40/23/21/467402321.db2.gz CTXPUMBPBPPKQN-LBPRGKRZSA-N 0 3 326.418 2.460 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCc2ccccc21 ZINC000392689603 467427876 /nfs/dbraw/zinc/42/78/76/467427876.db2.gz RUOLZTDBSRBWIP-QGZVFWFLSA-N 0 3 325.368 2.141 20 5 EEBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000449145628 467620682 /nfs/dbraw/zinc/62/06/82/467620682.db2.gz YOXSOBLWHNEVEI-ZDUSSCGKSA-N 0 3 341.433 2.041 20 5 EEBDHN COc1cc(C(=O)NCCN2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000457047243 467739117 /nfs/dbraw/zinc/73/91/17/467739117.db2.gz CKESZFQAMZKPLW-UHFFFAOYSA-N 0 3 339.367 2.347 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000449939121 467747717 /nfs/dbraw/zinc/74/77/17/467747717.db2.gz IDRHNMQJOXTJTD-TZMCWYRMSA-N 0 3 333.388 2.157 20 5 EEBDHN C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000450303922 467822071 /nfs/dbraw/zinc/82/20/71/467822071.db2.gz KFPRLRBEMHQAHW-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000493304070 467882192 /nfs/dbraw/zinc/88/21/92/467882192.db2.gz QLINFIUCEIFCMB-AJHXJQRKSA-N 0 3 347.415 2.225 20 5 EEBDHN CN(C)CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000530954096 468019759 /nfs/dbraw/zinc/01/97/59/468019759.db2.gz NYMJDWXKZCVGIR-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN O=C(CNc1ccsc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000590062603 468210642 /nfs/dbraw/zinc/21/06/42/468210642.db2.gz YGAZMWFIQJWEIA-UHFFFAOYSA-N 0 3 326.422 2.060 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961903 468732309 /nfs/dbraw/zinc/73/23/09/468732309.db2.gz PAGJSYFJEPQWLS-GPAUDHNESA-N 0 3 326.418 2.383 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1CCS(=O)(=O)CC1 ZINC000595036307 468747379 /nfs/dbraw/zinc/74/73/79/468747379.db2.gz QSXQJEOWQJSDPQ-LLVKDONJSA-N 0 3 342.417 2.079 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598265342 468811774 /nfs/dbraw/zinc/81/17/74/468811774.db2.gz SEBRTOIEDUSIIH-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688590 468824100 /nfs/dbraw/zinc/82/41/00/468824100.db2.gz XESSEBNXMFPXPG-BXUZGUMPSA-N 0 3 339.392 2.191 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN1CCCCC1 ZINC000593111053 468874906 /nfs/dbraw/zinc/87/49/06/468874906.db2.gz BYYZJPGDPPEMRD-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536928 468892797 /nfs/dbraw/zinc/89/27/97/468892797.db2.gz XTBIWLXNKDEAGF-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN CN(C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000602655953 468991400 /nfs/dbraw/zinc/99/14/00/468991400.db2.gz IVJQJRDLFPETPK-AWEZNQCLSA-N 0 3 348.403 2.279 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCCn2ccnc2)CC1 ZINC000602804771 469087399 /nfs/dbraw/zinc/08/73/99/469087399.db2.gz KGRVLSQWXSIFPJ-UHFFFAOYSA-N 0 3 346.435 2.489 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)C(C)(C)CO ZINC000602820187 469097824 /nfs/dbraw/zinc/09/78/24/469097824.db2.gz XSGMIVISQGGLND-MRXNPFEDSA-N 0 3 332.404 2.449 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000602961046 469192027 /nfs/dbraw/zinc/19/20/27/469192027.db2.gz SWFJIMSYDGSLDO-LBPRGKRZSA-N 0 3 347.419 2.058 20 5 EEBDHN C[C@]1(CCCO)CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199676 469212382 /nfs/dbraw/zinc/21/23/82/469212382.db2.gz DNYQYJSVWAXXIJ-QGZVFWFLSA-N 0 3 336.388 2.493 20 5 EEBDHN C[C@@H]1CN(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602544496 469355494 /nfs/dbraw/zinc/35/54/94/469355494.db2.gz KBBIZFDAIKUUPL-LLVKDONJSA-N 0 3 347.337 2.424 20 5 EEBDHN Nc1c(Cl)cc(Cl)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000602569644 469364738 /nfs/dbraw/zinc/36/47/38/469364738.db2.gz QDPRDFRISPQPPR-UHFFFAOYSA-N 0 3 330.175 2.470 20 5 EEBDHN Cc1c(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000616240109 469403789 /nfs/dbraw/zinc/40/37/89/469403789.db2.gz FEPQHXIFRIBUSF-HNNXBMFYSA-N 0 3 332.404 2.187 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(NC3CCN([C@@H]4CCOC4)CC3)c21 ZINC000612449053 469468977 /nfs/dbraw/zinc/46/89/77/469468977.db2.gz RGBKJIUBPKUUAT-CYBMUJFWSA-N 0 3 343.387 2.203 20 5 EEBDHN COc1cc(OC[C@H](O)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000619506719 469628577 /nfs/dbraw/zinc/62/85/77/469628577.db2.gz YEIYRXWSOWWXKH-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609833421 469963919 /nfs/dbraw/zinc/96/39/19/469963919.db2.gz IGIKRGJHOJRKKW-NSHDSACASA-N 0 3 331.376 2.075 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594202833 485603271 /nfs/dbraw/zinc/60/32/71/485603271.db2.gz SKKAWRUVFIOXOA-UONOGXRCSA-N 0 3 333.388 2.107 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000776592282 577463683 /nfs/dbraw/zinc/46/36/83/577463683.db2.gz WIQDVQURSBJGGR-QZTJIDSGSA-N 0 3 328.368 2.220 20 5 EEBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1CCOC ZINC000766427232 577519186 /nfs/dbraw/zinc/51/91/86/577519186.db2.gz FAVOBYBTFVLPHJ-GFCCVEGCSA-N 0 3 349.391 2.068 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000754383998 577805590 /nfs/dbraw/zinc/80/55/90/577805590.db2.gz MCIDKJLWPFDKIW-LBPRGKRZSA-N 0 3 329.784 2.447 20 5 EEBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539710 577808325 /nfs/dbraw/zinc/80/83/25/577808325.db2.gz LQHVKQCWTRCQTG-RISCZKNCSA-N 0 3 349.387 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000749802567 577982104 /nfs/dbraw/zinc/98/21/04/577982104.db2.gz YFGMHXXSBCCKAJ-GJZGRUSLSA-N 0 3 343.387 2.169 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001021876277 676532292 /nfs/dbraw/zinc/53/22/92/676532292.db2.gz ZUENTQCCLDRAKL-TXEJJXNPSA-N 0 3 332.385 2.102 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000894395294 682801873 /nfs/dbraw/zinc/80/18/73/682801873.db2.gz CNVRHWBNYQHTJI-JKSUJKDBSA-N 0 3 332.404 2.281 20 5 EEBDHN COc1c([O-])ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000894413325 682867459 /nfs/dbraw/zinc/86/74/59/682867459.db2.gz LVZJVOHGVVXISE-TZMCWYRMSA-N 0 3 335.404 2.368 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CN(C)CCN1C ZINC000895249733 684376715 /nfs/dbraw/zinc/37/67/15/684376715.db2.gz XBWUQAOZCWXERS-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN CN(C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3N)n2)cc1 ZINC000904623341 694432895 /nfs/dbraw/zinc/43/28/95/694432895.db2.gz BDUQSFQLZLMGST-UHFFFAOYSA-N 0 3 340.343 2.351 20 5 EEBDHN O=C(c1ccon1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000990030286 692597000 /nfs/dbraw/zinc/59/70/00/692597000.db2.gz WHYHBDBHAAOGHU-UHFFFAOYSA-N 0 3 336.373 2.039 20 5 EEBDHN Cc1c(CN[C@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095924 1198498372 /nfs/dbraw/zinc/49/83/72/1198498372.db2.gz RLZGGTWSJDQPPR-FUHWJXTLSA-N 0 3 330.384 2.477 20 5 EEBDHN CCOC(=O)Cc1ccc(N2CCCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000825727703 1198879706 /nfs/dbraw/zinc/87/97/06/1198879706.db2.gz IIVGTHRGCKKQEN-UHFFFAOYSA-N 0 3 335.404 2.232 20 5 EEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[N+](=O)[O-] ZINC000813102428 1201096772 /nfs/dbraw/zinc/09/67/72/1201096772.db2.gz RJMOQWDDQRJHCY-STQMWFEESA-N 0 3 335.360 2.139 20 5 EEBDHN Cc1nc2ccc(Br)cn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102223 1201097720 /nfs/dbraw/zinc/09/77/20/1201097720.db2.gz PLPKXWBKHJTXCZ-SSDOTTSWSA-N 0 3 342.149 2.227 20 5 EEBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813106705 1201117443 /nfs/dbraw/zinc/11/74/43/1201117443.db2.gz GQNWXTZVMGGWNU-VIFPVBQESA-N 0 3 338.751 2.305 20 5 EEBDHN CC(C)c1ccc(N2CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813113550 1201124867 /nfs/dbraw/zinc/12/48/67/1201124867.db2.gz RLAWAHWFQYDBCD-WFASDCNBSA-N 0 3 334.372 2.371 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[N+](=O)[O-] ZINC000813115637 1201126180 /nfs/dbraw/zinc/12/61/80/1201126180.db2.gz WULHPQOBTOHAQM-BDAKNGLRSA-N 0 3 344.726 2.040 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)CC1CC1 ZINC000866305924 1201489042 /nfs/dbraw/zinc/48/90/42/1201489042.db2.gz NTMBPJHLFCDHFD-LLVKDONJSA-N 0 3 344.408 2.079 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000882075492 1201812278 /nfs/dbraw/zinc/81/22/78/1201812278.db2.gz WIPOIEGQODKCOT-TXEJJXNPSA-N 0 3 326.372 2.430 20 5 EEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119413490 1229508053 /nfs/dbraw/zinc/50/80/53/1229508053.db2.gz WPPLSJRRPKPCTF-UHFFFAOYSA-N 0 3 347.462 2.150 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097077814 1243673679 /nfs/dbraw/zinc/67/36/79/1243673679.db2.gz AXVNCTWWEQLUNM-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN O=C(CN1CCCC1)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001057501423 1244013714 /nfs/dbraw/zinc/01/37/14/1244013714.db2.gz HWMQGDPIAVCBAU-UHFFFAOYSA-N 0 3 346.431 2.341 20 5 EEBDHN CCCN(C)CC(=O)NCCN(c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC001101370166 1245727320 /nfs/dbraw/zinc/72/73/20/1245727320.db2.gz JAAKZPUOMGUICO-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CC(C)OCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199603463 1285730869 /nfs/dbraw/zinc/73/08/69/1285730869.db2.gz HJOJNBISFMUIKU-UHFFFAOYSA-N 0 3 341.433 2.162 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC001111827959 1303956529 /nfs/dbraw/zinc/95/65/29/1303956529.db2.gz KIUZBZSMPKBUCM-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000798141759 1304926661 /nfs/dbraw/zinc/92/66/61/1304926661.db2.gz RBSZWSRIBALDKO-GFCCVEGCSA-N 0 3 336.348 2.059 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000839635742 1315224415 /nfs/dbraw/zinc/22/44/15/1315224415.db2.gz JSPQXIOIKUHHMX-OKZBNKHCSA-N 0 3 328.368 2.436 20 5 EEBDHN CC(=O)CCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154575178 1317213100 /nfs/dbraw/zinc/21/31/00/1317213100.db2.gz DVDIXQWBTOKGST-UHFFFAOYSA-N 0 3 327.406 2.012 20 5 EEBDHN Cc1ncc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)s1 ZINC001155473751 1317611900 /nfs/dbraw/zinc/61/19/00/1317611900.db2.gz FXZXDHPYHYEKFS-UHFFFAOYSA-N 0 3 340.430 2.331 20 5 EEBDHN O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCCC[C@@]34CNCCO4)nc21 ZINC001155826391 1317751274 /nfs/dbraw/zinc/75/12/74/1317751274.db2.gz IRQVQJWYJZHOIB-XJKSGUPXSA-N 0 3 331.376 2.184 20 5 EEBDHN COCCOc1nccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254549812 1318118772 /nfs/dbraw/zinc/11/87/72/1318118772.db2.gz WUPCMJQKEMVVMR-ZDUSSCGKSA-N 0 3 346.387 2.131 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cnccn2)C1 ZINC001254570120 1318124822 /nfs/dbraw/zinc/12/48/22/1318124822.db2.gz MYINMTSYFYFDSW-UKRRQHHQSA-N 0 3 328.372 2.469 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001156922355 1318290716 /nfs/dbraw/zinc/29/07/16/1318290716.db2.gz GQCSAHWBHZWPAL-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN CCc1ccnc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001158690787 1319381128 /nfs/dbraw/zinc/38/11/28/1319381128.db2.gz ISWQQMFPPNNVJM-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN CCOC(=O)C1=C(Nc2nccc3cc([N+](=O)[O-])ccc32)CCNC1 ZINC001159459563 1319818030 /nfs/dbraw/zinc/81/80/30/1319818030.db2.gz NXVKEQCTENSPHB-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160338380 1320138689 /nfs/dbraw/zinc/13/86/89/1320138689.db2.gz ZOJWUKNMNQRNQJ-UHFFFAOYSA-N 0 3 347.338 2.244 20 5 EEBDHN CCOc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c([N+](=O)[O-])c1 ZINC001163646528 1321180092 /nfs/dbraw/zinc/18/00/92/1321180092.db2.gz RYEAEQMWTSMYRI-GOEBONIOSA-N 0 3 336.392 2.102 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163649714 1321181122 /nfs/dbraw/zinc/18/11/22/1321181122.db2.gz FKXGLUJZXTYLQE-SMDDNHRTSA-N 0 3 326.784 2.356 20 5 EEBDHN CC(C)(O)CC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001164366062 1321362288 /nfs/dbraw/zinc/36/22/88/1321362288.db2.gz ADLGNNJJXAWLSA-UHFFFAOYSA-N 0 3 349.431 2.132 20 5 EEBDHN CCc1[nH]nc(C(=O)Nc2cnccc2-n2ccnc2C)c1[N+](=O)[O-] ZINC001320935127 1332982601 /nfs/dbraw/zinc/98/26/01/1332982601.db2.gz OIVAQUZEAWJFJM-UHFFFAOYSA-N 0 3 341.331 2.022 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001326395003 1334082985 /nfs/dbraw/zinc/08/29/85/1334082985.db2.gz UYRGFTYFSUHNFU-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN CCN(CCC[NH+](CC)CC)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609223085 1351900810 /nfs/dbraw/zinc/90/08/10/1351900810.db2.gz QWBLSVMGGZZTAZ-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCN(CCC[NH+](CC)CC)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609223085 1351900811 /nfs/dbraw/zinc/90/08/11/1351900811.db2.gz QWBLSVMGGZZTAZ-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN Cc1cccnc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724200 1336585969 /nfs/dbraw/zinc/58/59/69/1336585969.db2.gz ZXIAOMBNPHTDGN-UONOGXRCSA-N 0 3 331.372 2.389 20 5 EEBDHN CC([C@@H](OC(=O)[C@@H]1CCCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC001346536068 1337485914 /nfs/dbraw/zinc/48/59/14/1337485914.db2.gz VEXXFHLJTZLXGU-RIEGTJTDSA-N 0 3 338.335 2.086 20 5 EEBDHN CC[NH+](CC)C1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001604281545 1350908210 /nfs/dbraw/zinc/90/82/10/1350908210.db2.gz VGWGWBRSVJZHDD-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC[NH+](CC)C1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001604281545 1350908214 /nfs/dbraw/zinc/90/82/14/1350908214.db2.gz VGWGWBRSVJZHDD-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846611131 790279093 /nfs/dbraw/zinc/27/90/93/790279093.db2.gz AMGDWJJXLLIWJB-UHFFFAOYSA-N 0 3 339.367 2.057 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(C2CC2)no1 ZINC001167465450 759687069 /nfs/dbraw/zinc/68/70/69/759687069.db2.gz LRDQYPBTHGZEOX-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846973891 790754534 /nfs/dbraw/zinc/75/45/34/790754534.db2.gz QTYOMPSYIJMUOJ-GFCCVEGCSA-N 0 3 339.367 2.055 20 5 EEBDHN COC(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819375352 785538634 /nfs/dbraw/zinc/53/86/34/785538634.db2.gz SXCGUBAQYKEHMM-CYBMUJFWSA-N 0 3 336.369 2.266 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107279714 786697971 /nfs/dbraw/zinc/69/79/71/786697971.db2.gz AYYJYOSGXVTBCY-SNAWJCMRSA-N 0 3 338.383 2.160 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001093185236 794791976 /nfs/dbraw/zinc/79/19/76/794791976.db2.gz GJXFNHFNVGNEMU-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000916967667 798003282 /nfs/dbraw/zinc/00/32/82/798003282.db2.gz UJSISICWUXFHTI-GJZGRUSLSA-N 0 3 338.310 2.230 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110193827 798369066 /nfs/dbraw/zinc/36/90/66/798369066.db2.gz ZNYLZTWLVHNESI-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001086012052 801928181 /nfs/dbraw/zinc/92/81/81/801928181.db2.gz FOTFQOLZCOUFEH-OTVXOJSOSA-N 0 3 340.383 2.288 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)no1 ZINC001086023778 801962834 /nfs/dbraw/zinc/96/28/34/801962834.db2.gz PMEGPXXFKFCASX-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025912 803591218 /nfs/dbraw/zinc/59/12/18/803591218.db2.gz JVHKDBWEUXCHQJ-SJORKVTESA-N 0 3 333.432 2.128 20 5 EEBDHN C[C@@H](N)c1ccn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC001169233871 803659123 /nfs/dbraw/zinc/65/91/23/803659123.db2.gz TUJANHVDRJTMGR-SNVBAGLBSA-N 0 3 326.316 2.383 20 5 EEBDHN COc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000051959976 214109923 /nfs/dbraw/zinc/10/99/23/214109923.db2.gz OMJVRLUAXOPEQJ-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049969825 214038620 /nfs/dbraw/zinc/03/86/20/214038620.db2.gz MLPVKFOKVWIELO-CQSZACIVSA-N 0 3 334.420 2.195 20 5 EEBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130609806 282204767 /nfs/dbraw/zinc/20/47/67/282204767.db2.gz AELZOTIDODXZKO-CYBMUJFWSA-N 0 3 345.403 2.449 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000178481385 232189265 /nfs/dbraw/zinc/18/92/65/232189265.db2.gz CXBDEQWSARVTRY-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN COc1ccc(OCCN[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183636508 235176060 /nfs/dbraw/zinc/17/60/60/235176060.db2.gz LRCSCGJIHLMMKI-OAHLLOKOSA-N 0 3 332.356 2.305 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1(N(C)C)CCC1 ZINC000186972255 236082777 /nfs/dbraw/zinc/08/27/77/236082777.db2.gz MZVCFGMTKDSIJR-CYBMUJFWSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000420468531 239828427 /nfs/dbraw/zinc/82/84/27/239828427.db2.gz OFGNBCMOJNFCQX-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000438471443 242022547 /nfs/dbraw/zinc/02/25/47/242022547.db2.gz SONYDCAZAUBWOH-UHFFFAOYSA-N 0 3 336.417 2.199 20 5 EEBDHN COC(=O)c1cnc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447815832 242319699 /nfs/dbraw/zinc/31/96/99/242319699.db2.gz HXGYISWOBYSBJK-CYBMUJFWSA-N 0 3 336.392 2.309 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499640 243135956 /nfs/dbraw/zinc/13/59/56/243135956.db2.gz MKBOMFLSJWVVNZ-IUIKQTSFSA-N 0 3 335.404 2.491 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780567 245245125 /nfs/dbraw/zinc/24/51/25/245245125.db2.gz XYLRGTAIXKFSKT-KCPJHIHWSA-N 0 3 333.388 2.469 20 5 EEBDHN CCC[C@@H](NCCN1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268818076 252268377 /nfs/dbraw/zinc/26/83/77/252268377.db2.gz NARGDLISYXZACO-GOSISDBHSA-N 0 3 348.447 2.190 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267472823 256062709 /nfs/dbraw/zinc/06/27/09/256062709.db2.gz PBDFYZODOUQZGR-SNVBAGLBSA-N 0 3 342.193 2.181 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268140435 256117945 /nfs/dbraw/zinc/11/79/45/256117945.db2.gz KEKSSDATBGCSBG-GWCFXTLKSA-N 0 3 334.376 2.061 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1N(C)C ZINC000271122447 256210515 /nfs/dbraw/zinc/21/05/15/256210515.db2.gz LAIFHQNAIMXQSZ-UONOGXRCSA-N 0 3 348.428 2.194 20 5 EEBDHN O=[N+]([O-])c1cccnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273233432 256278570 /nfs/dbraw/zinc/27/85/70/256278570.db2.gz SAGKNBCRDZDLOL-HNNXBMFYSA-N 0 3 328.372 2.169 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389125 154176051 /nfs/dbraw/zinc/17/60/51/154176051.db2.gz FULRDBAIAFUYAK-RHSMWYFYSA-N 0 3 349.387 2.089 20 5 EEBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784886 160416794 /nfs/dbraw/zinc/41/67/94/160416794.db2.gz YFEQBIZJKOAJBS-PBHICJAKSA-N 0 3 335.404 2.052 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245200341 160229887 /nfs/dbraw/zinc/22/98/87/160229887.db2.gz AGKKRPXZQDQJEM-FRRDWIJNSA-N 0 3 335.404 2.481 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000341943926 161026139 /nfs/dbraw/zinc/02/61/39/161026139.db2.gz OMRSDAZXEZHKOY-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343483843 161140257 /nfs/dbraw/zinc/14/02/57/161140257.db2.gz FDHYRIHVJSVGQI-IINYFYTJSA-N 0 3 325.796 2.390 20 5 EEBDHN CN(CC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000344700170 161237430 /nfs/dbraw/zinc/23/74/30/161237430.db2.gz HCOWEAFHLCOCBL-INIZCTEOSA-N 0 3 348.447 2.268 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C(N)=O)nc1 ZINC000345044812 161266451 /nfs/dbraw/zinc/26/64/51/161266451.db2.gz RCVAIUXHTAEIOG-KPKJPENVSA-N 0 3 326.356 2.282 20 5 EEBDHN Cc1cc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000345306895 161290527 /nfs/dbraw/zinc/29/05/27/161290527.db2.gz REMBVQMSHLDVCW-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000352051456 162047227 /nfs/dbraw/zinc/04/72/27/162047227.db2.gz BTMKNDRBPAXUMM-ZDUSSCGKSA-N 0 3 330.388 2.300 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccco1 ZINC000352543398 162180293 /nfs/dbraw/zinc/18/02/93/162180293.db2.gz DXZCWXIJCLGTBY-OAHLLOKOSA-N 0 3 334.372 2.240 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCCO[C@H](C)C1 ZINC000358916328 164014967 /nfs/dbraw/zinc/01/49/67/164014967.db2.gz SKQNIZOIBVFYQQ-GFCCVEGCSA-N 0 3 325.413 2.032 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210890 164083598 /nfs/dbraw/zinc/08/35/98/164083598.db2.gz DVDSLTUHXRRQNW-SMDDNHRTSA-N 0 3 332.404 2.328 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCN(C)C)CC2)c1 ZINC000359277890 164100729 /nfs/dbraw/zinc/10/07/29/164100729.db2.gz ABHNOQKVSRFYSD-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)C ZINC000359593720 164132951 /nfs/dbraw/zinc/13/29/51/164132951.db2.gz TUQWWOSPOZKYQG-JTQLQIEISA-N 0 3 329.784 2.036 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000376407554 167319606 /nfs/dbraw/zinc/31/96/06/167319606.db2.gz MQFLUGTZCIVDBY-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000277243439 269144827 /nfs/dbraw/zinc/14/48/27/269144827.db2.gz YRECZUCRPIQESR-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCCC1 ZINC000277537872 269161081 /nfs/dbraw/zinc/16/10/81/269161081.db2.gz AYXATUDQBCIXBM-GFCCVEGCSA-N 0 3 345.403 2.352 20 5 EEBDHN COc1ccc(CN[C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278512385 269235313 /nfs/dbraw/zinc/23/53/13/269235313.db2.gz QCDRTFXAYTWQRG-CQSZACIVSA-N 0 3 345.403 2.096 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000279673206 269299283 /nfs/dbraw/zinc/29/92/83/269299283.db2.gz NQJVPJSOSCQNNG-LBPRGKRZSA-N 0 3 326.418 2.083 20 5 EEBDHN CCC(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000280016965 269322152 /nfs/dbraw/zinc/32/21/52/269322152.db2.gz JNSDXGXILBTMKY-CQSZACIVSA-N 0 3 335.404 2.446 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000282882615 269520043 /nfs/dbraw/zinc/52/00/43/269520043.db2.gz RHIMRILIVIKAIR-SWLSCSKDSA-N 0 3 335.404 2.452 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269101306 274109883 /nfs/dbraw/zinc/10/98/83/274109883.db2.gz RVOMCYGHAIEDEW-WBVHZDCISA-N 0 3 342.399 2.285 20 5 EEBDHN COCCOCCOCCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000274448144 274197636 /nfs/dbraw/zinc/19/76/36/274197636.db2.gz VVOZPIUTUFHVEU-UHFFFAOYSA-N 0 3 326.393 2.063 20 5 EEBDHN CCN(CC)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000287984624 275012240 /nfs/dbraw/zinc/01/22/40/275012240.db2.gz ARYVVHUMRTYEON-GFCCVEGCSA-N 0 3 331.376 2.164 20 5 EEBDHN COc1ccc(C[C@@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc1O ZINC000289574079 275128918 /nfs/dbraw/zinc/12/89/18/275128918.db2.gz ZYCLABJOOUTJKE-OAHLLOKOSA-N 0 3 346.383 2.250 20 5 EEBDHN CN(C[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000290805357 275241811 /nfs/dbraw/zinc/24/18/11/275241811.db2.gz QKIJCJTVAAFXQQ-SNVBAGLBSA-N 0 3 345.193 2.191 20 5 EEBDHN COc1ccncc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402043 278068524 /nfs/dbraw/zinc/06/85/24/278068524.db2.gz BDYDPIQVXVIBOC-KGLIPLIRSA-N 0 3 331.376 2.468 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570424 293241489 /nfs/dbraw/zinc/24/14/89/293241489.db2.gz DMMPVEHQGAVVLU-BXUZGUMPSA-N 0 3 349.362 2.407 20 5 EEBDHN CC1(C)C[C@@H](NCCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000295908606 293845588 /nfs/dbraw/zinc/84/55/88/293845588.db2.gz JADQNTNTWRPOPP-QGZVFWFLSA-N 0 3 333.432 2.364 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](O)[C@@H](CO)C3)s2)cc1 ZINC000414551435 313039073 /nfs/dbraw/zinc/03/90/73/313039073.db2.gz BDAJAAMZVUNXOI-CZUORRHYSA-N 0 3 348.424 2.498 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301156 313477543 /nfs/dbraw/zinc/47/75/43/313477543.db2.gz ACNKWJMVETUMAH-BLLLJJGKSA-N 0 3 338.429 2.387 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425041446 314327004 /nfs/dbraw/zinc/32/70/04/314327004.db2.gz BXVUHQPQUCADGY-WMLDXEAASA-N 0 3 346.431 2.340 20 5 EEBDHN O=C(CCNCc1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000519708906 316814975 /nfs/dbraw/zinc/81/49/75/316814975.db2.gz LXBYGXFYPLJWSE-UHFFFAOYSA-N 0 3 343.339 2.442 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000543792475 318174345 /nfs/dbraw/zinc/17/43/45/318174345.db2.gz VKXCBVNIFFWABX-MRXNPFEDSA-N 0 3 347.463 2.211 20 5 EEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086183 318353362 /nfs/dbraw/zinc/35/33/62/318353362.db2.gz WUTDQNAXQPTLSB-LBPRGKRZSA-N 0 3 343.387 2.273 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCSC2)cc1 ZINC000577172821 320237952 /nfs/dbraw/zinc/23/79/52/320237952.db2.gz FOUXRURIQLRFCL-GFCCVEGCSA-N 0 3 344.458 2.101 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3sccc3c2)c1 ZINC000578642627 323675011 /nfs/dbraw/zinc/67/50/11/323675011.db2.gz UVDLIDYPEOTZDS-CQSZACIVSA-N 0 3 332.385 2.157 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000582919450 324557320 /nfs/dbraw/zinc/55/73/20/324557320.db2.gz AGJGEJHYDCFCIY-CQSZACIVSA-N 0 3 332.356 2.133 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120573390 463013572 /nfs/dbraw/zinc/01/35/72/463013572.db2.gz CZVHBHGRMHNPEG-CQSZACIVSA-N 0 3 334.420 2.311 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c2ncccc12 ZINC000325775399 465029992 /nfs/dbraw/zinc/02/99/92/465029992.db2.gz DDGBFLXLIFWIAZ-OLZOCXBDSA-N 0 3 328.372 2.418 20 5 EEBDHN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCN1CCCCC1 ZINC000341545062 465226234 /nfs/dbraw/zinc/22/62/34/465226234.db2.gz KUEWCHWALFWHPE-UHFFFAOYSA-N 0 3 332.360 2.288 20 5 EEBDHN C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN(C2CC2)C1 ZINC000590654451 468297123 /nfs/dbraw/zinc/29/71/23/468297123.db2.gz AESMNUCZHPYXTK-ZDUSSCGKSA-N 0 3 347.415 2.282 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000046954259 462725528 /nfs/dbraw/zinc/72/55/28/462725528.db2.gz HWHIWHCIVIAXEK-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN[C@]2(CO)CCc3ccccc32)cc1 ZINC000132354417 462850459 /nfs/dbraw/zinc/85/04/59/462850459.db2.gz TWEGATQUSXMSNV-SFHVURJKSA-N 0 3 328.368 2.397 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120056788 462957633 /nfs/dbraw/zinc/95/76/33/462957633.db2.gz XSJHNTVYTXNUSS-UHFFFAOYSA-N 0 3 338.408 2.254 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068341659 463123300 /nfs/dbraw/zinc/12/33/00/463123300.db2.gz UKRIVKVGTNMDRY-MRXNPFEDSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000026936724 463177913 /nfs/dbraw/zinc/17/79/13/463177913.db2.gz MYSIDMSFIXCEAU-UHFFFAOYSA-N 0 3 349.387 2.071 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC000029620761 463265438 /nfs/dbraw/zinc/26/54/38/463265438.db2.gz DPMLHXUWHMUIRD-UHFFFAOYSA-N 0 3 325.438 2.102 20 5 EEBDHN Nc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000069708450 463309199 /nfs/dbraw/zinc/30/91/99/463309199.db2.gz GSQIRWJHPFVBEY-LBPRGKRZSA-N 0 3 336.367 2.017 20 5 EEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160239295 463324111 /nfs/dbraw/zinc/32/41/11/463324111.db2.gz LQACQEQFDNGLKD-LBPRGKRZSA-N 0 3 343.387 2.273 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCn1ccnc1 ZINC000124316422 463408662 /nfs/dbraw/zinc/40/86/62/463408662.db2.gz HXJJKEOGEQEJKJ-ZDUSSCGKSA-N 0 3 331.376 2.140 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCn1ccnc1 ZINC000124384481 463416534 /nfs/dbraw/zinc/41/65/34/463416534.db2.gz DDTHJFXRBYSLGL-ZDUSSCGKSA-N 0 3 331.376 2.140 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755214 463421484 /nfs/dbraw/zinc/42/14/84/463421484.db2.gz AJQGSSSGMSKXAN-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125093969 463502450 /nfs/dbraw/zinc/50/24/50/463502450.db2.gz BVDUIURYKBIULW-QWRGUYRKSA-N 0 3 347.462 2.116 20 5 EEBDHN COc1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000125292505 463526519 /nfs/dbraw/zinc/52/65/19/463526519.db2.gz IGNQWLHVMKOKBE-ZIAGYGMSSA-N 0 3 333.388 2.094 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125309535 463529641 /nfs/dbraw/zinc/52/96/41/463529641.db2.gz WKFLXHAQISXLLM-JTQLQIEISA-N 0 3 349.478 2.219 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1CN1CCOCC1 ZINC000255897264 463752655 /nfs/dbraw/zinc/75/26/55/463752655.db2.gz VNDUMGOMTHETNG-SVEBXFOSSA-N 0 3 331.416 2.405 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000177795979 463794186 /nfs/dbraw/zinc/79/41/86/463794186.db2.gz LYCYZYFBDJOFFN-HIFRSBDPSA-N 0 3 333.388 2.059 20 5 EEBDHN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCN1CCCCC1 ZINC000185755993 463873302 /nfs/dbraw/zinc/87/33/02/463873302.db2.gz KIZHFFRMDFVEHP-UHFFFAOYSA-N 0 3 348.428 2.420 20 5 EEBDHN CNC(=O)[C@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292696015 464311380 /nfs/dbraw/zinc/31/13/80/464311380.db2.gz CVUQGPDZZCOKEQ-SECBINFHSA-N 0 3 333.310 2.428 20 5 EEBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778593 464381260 /nfs/dbraw/zinc/38/12/60/464381260.db2.gz LDINLXZOLYSUEH-WFASDCNBSA-N 0 3 340.330 2.171 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264582431 464383104 /nfs/dbraw/zinc/38/31/04/464383104.db2.gz JVVNHCJYENREDT-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264620842 464398132 /nfs/dbraw/zinc/39/81/32/464398132.db2.gz RMGLWSREPOGXQH-LSDHHAIUSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281716870 464558217 /nfs/dbraw/zinc/55/82/17/464558217.db2.gz QKTPGGGUCJPJBD-UKRRQHHQSA-N 0 3 335.404 2.081 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000281754857 464573162 /nfs/dbraw/zinc/57/31/62/464573162.db2.gz RFOPWZRRSSIOOI-OALUTQOASA-N 0 3 342.395 2.442 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000591144268 468414708 /nfs/dbraw/zinc/41/47/08/468414708.db2.gz DPRMRHNQWCOHOP-IRXDYDNUSA-N 0 3 342.399 2.178 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593895 464672865 /nfs/dbraw/zinc/67/28/65/464672865.db2.gz OJQUXSMLGLXOKA-HZPDHXFCSA-N 0 3 346.431 2.263 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285755298 464683941 /nfs/dbraw/zinc/68/39/41/464683941.db2.gz ZBFJFIDAYYDZGC-CKEIUWERSA-N 0 3 346.431 2.480 20 5 EEBDHN CCOC(CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])OCC ZINC000276272622 464872764 /nfs/dbraw/zinc/87/27/64/464872764.db2.gz WCHQYRHTICCXMO-UHFFFAOYSA-N 0 3 328.365 2.188 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCN1C ZINC000343572173 465530467 /nfs/dbraw/zinc/53/04/67/465530467.db2.gz VGJGCFHFWXWKRO-FZMZJTMJSA-N 0 3 328.372 2.356 20 5 EEBDHN COc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000362392844 465701410 /nfs/dbraw/zinc/70/14/10/465701410.db2.gz UKTWRRFAFBCYLP-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN CS(=O)(=O)CC1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000340282533 465949297 /nfs/dbraw/zinc/94/92/97/465949297.db2.gz YCZSQTKRPQJXRU-UHFFFAOYSA-N 0 3 326.418 2.288 20 5 EEBDHN CN(C)C1(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000346248600 466027622 /nfs/dbraw/zinc/02/76/22/466027622.db2.gz OMOFGXRYBBZYOA-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000302147945 466105413 /nfs/dbraw/zinc/10/54/13/466105413.db2.gz IYDHUMVULJXTOB-ZIAGYGMSSA-N 0 3 349.435 2.101 20 5 EEBDHN CCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000361702143 466218462 /nfs/dbraw/zinc/21/84/62/466218462.db2.gz UGTPQMQOTACDKR-UHFFFAOYSA-N 0 3 342.355 2.287 20 5 EEBDHN CC(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000338587788 466240356 /nfs/dbraw/zinc/24/03/56/466240356.db2.gz NHSUSTFDRLLFNU-UHFFFAOYSA-N 0 3 337.445 2.429 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c1 ZINC000349786225 466240826 /nfs/dbraw/zinc/24/08/26/466240826.db2.gz XFYRTHUDRRABQK-LBPRGKRZSA-N 0 3 343.449 2.219 20 5 EEBDHN CN(C)Cc1ccc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000346977389 466294144 /nfs/dbraw/zinc/29/41/44/466294144.db2.gz NAFICDILWDBBNJ-UHFFFAOYSA-N 0 3 328.332 2.107 20 5 EEBDHN CC[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027434 466396405 /nfs/dbraw/zinc/39/64/05/466396405.db2.gz RLHQVZPDKSCICX-UKRRQHHQSA-N 0 3 341.433 2.060 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000368095886 466578183 /nfs/dbraw/zinc/57/81/83/466578183.db2.gz UFFWMKQSJRLBDD-KRWDZBQOSA-N 0 3 328.372 2.261 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808888 466597146 /nfs/dbraw/zinc/59/71/46/466597146.db2.gz VNHYWPXDSMRJGU-HZUKXOBISA-N 0 3 333.388 2.387 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)[C@H]2CCCOC2)c1 ZINC000411990736 466960101 /nfs/dbraw/zinc/96/01/01/466960101.db2.gz RTZVYRZPTOGRGL-IINYFYTJSA-N 0 3 348.321 2.491 20 5 EEBDHN O=C1CCCN1[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058703 466988235 /nfs/dbraw/zinc/98/82/35/466988235.db2.gz VODYNRUKNPCFPL-OAHLLOKOSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449658590 467680040 /nfs/dbraw/zinc/68/00/40/467680040.db2.gz BEJFGDMBWSCGIU-CABZTGNLSA-N 0 3 345.371 2.189 20 5 EEBDHN CC[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(CC)CC ZINC000487118963 468023558 /nfs/dbraw/zinc/02/35/58/468023558.db2.gz REVYUPVXMIUSCT-AWEZNQCLSA-N 0 3 337.424 2.075 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594200398 468510319 /nfs/dbraw/zinc/51/03/19/468510319.db2.gz LSDWZZMCLQUUMR-LSDHHAIUSA-N 0 3 347.415 2.497 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594420557 468580154 /nfs/dbraw/zinc/58/01/54/468580154.db2.gz WRMWTDJPGJLLRJ-HUUCEWRRSA-N 0 3 332.404 2.383 20 5 EEBDHN CCC(C)(C)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000594594207 468629807 /nfs/dbraw/zinc/62/98/07/468629807.db2.gz LUQWCXDPBXKIPY-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CNC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594596944 468631074 /nfs/dbraw/zinc/63/10/74/468631074.db2.gz BJSOGHUFGDXHPP-UKRRQHHQSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000584391444 468858985 /nfs/dbraw/zinc/85/89/85/468858985.db2.gz CSRWLILEOFFTSC-LBPRGKRZSA-N 0 3 343.387 2.057 20 5 EEBDHN CNc1nccc(C(=O)Nc2ccc(C)cc2CN(C)C)c1[N+](=O)[O-] ZINC000561248050 468881504 /nfs/dbraw/zinc/88/15/04/468881504.db2.gz CRYQOYXFKLCCPA-UHFFFAOYSA-N 0 3 343.387 2.654 20 5 EEBDHN COc1ccc(C2(NCCn3cc([N+](=O)[O-])cn3)CCOCC2)cc1 ZINC000610447940 468972211 /nfs/dbraw/zinc/97/22/11/468972211.db2.gz OFNKZLSBKQSEOT-UHFFFAOYSA-N 0 3 346.387 2.095 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599126924 469128832 /nfs/dbraw/zinc/12/88/32/469128832.db2.gz PGMYDDZHDVUWST-VIFPVBQESA-N 0 3 342.193 2.039 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611155063 469175758 /nfs/dbraw/zinc/17/57/58/469175758.db2.gz SYSMPWOMAWSXNC-OAHLLOKOSA-N 0 3 334.420 2.311 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC(F)(F)CC2)c1 ZINC000599551030 469290231 /nfs/dbraw/zinc/29/02/31/469290231.db2.gz FIFSRFVVZDWMNE-ZDUSSCGKSA-N 0 3 330.331 2.456 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(NC3CCN([C@H]4CCOC4)CC3)c21 ZINC000612449054 469468885 /nfs/dbraw/zinc/46/88/85/469468885.db2.gz RGBKJIUBPKUUAT-ZDUSSCGKSA-N 0 3 343.387 2.203 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000609449042 469928521 /nfs/dbraw/zinc/92/85/21/469928521.db2.gz MMMRJHQTCVIVIY-UHFFFAOYSA-N 0 3 326.422 2.011 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000183622664 534422593 /nfs/dbraw/zinc/42/25/93/534422593.db2.gz FJKPKPXDILGBHD-GZBFAFLISA-N 0 3 345.403 2.328 20 5 EEBDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682776 528242669 /nfs/dbraw/zinc/24/26/69/528242669.db2.gz VNHMHJRPDLJEKI-BBRMVZONSA-N 0 3 348.403 2.290 20 5 EEBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000183330728 529152608 /nfs/dbraw/zinc/15/26/08/529152608.db2.gz YOAKQRWELATFQE-SFHVURJKSA-N 0 3 332.448 2.115 20 5 EEBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063633 535521214 /nfs/dbraw/zinc/52/12/14/535521214.db2.gz WJHNSPNSHIIXFG-DLBZAZTESA-N 0 3 334.416 2.389 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451770263 535546942 /nfs/dbraw/zinc/54/69/42/535546942.db2.gz CNHCVLWHQBXNMV-XQQFMLRXSA-N 0 3 349.387 2.243 20 5 EEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459782275 535948001 /nfs/dbraw/zinc/94/80/01/535948001.db2.gz TVASBDHEXLKLLO-QKCSRTOESA-N 0 3 337.376 2.088 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425060101 536487739 /nfs/dbraw/zinc/48/77/39/536487739.db2.gz UKKJARSXGXILKQ-XJKSGUPXSA-N 0 3 331.416 2.425 20 5 EEBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000759611830 577646428 /nfs/dbraw/zinc/64/64/28/577646428.db2.gz HPGFGEJSUZNDLF-UHFFFAOYSA-N 0 3 346.431 2.265 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@@H](C)O1 ZINC000759696288 577648010 /nfs/dbraw/zinc/64/80/10/577648010.db2.gz GIQMKPNMDZYQOR-VXGBXAGGSA-N 0 3 349.391 2.432 20 5 EEBDHN CN1CCC(NC(=S)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751918920 577762317 /nfs/dbraw/zinc/76/23/17/577762317.db2.gz SVAHTHBEFQVBMH-UHFFFAOYSA-N 0 3 336.461 2.388 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000754381067 577805388 /nfs/dbraw/zinc/80/53/88/577805388.db2.gz HZNAXXVIRIWGOK-GFCCVEGCSA-N 0 3 329.784 2.447 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744414607 577897485 /nfs/dbraw/zinc/89/74/85/577897485.db2.gz SLPFWQAYNAGANS-OAHLLOKOSA-N 0 3 332.404 2.252 20 5 EEBDHN CN(C)C(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749675253 577979704 /nfs/dbraw/zinc/97/97/04/577979704.db2.gz XYMDOGZCCGQCRM-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933056643 676422633 /nfs/dbraw/zinc/42/26/33/676422633.db2.gz UBHVYTHXLUOBKR-HNNXBMFYSA-N 0 3 336.388 2.109 20 5 EEBDHN Cc1ncccc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022629034 678030493 /nfs/dbraw/zinc/03/04/93/678030493.db2.gz XXRMOVATHAWYAT-GASCZTMLSA-N 0 3 340.383 2.349 20 5 EEBDHN Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001023083538 679117839 /nfs/dbraw/zinc/11/78/39/679117839.db2.gz NBDNIYVPEFHLSH-OKILXGFUSA-N 0 3 328.372 2.282 20 5 EEBDHN CC(C)(C)[C@H]1CSCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931595947 693752292 /nfs/dbraw/zinc/75/22/92/693752292.db2.gz FFUBOCDYEZVFNU-CYBMUJFWSA-N 0 3 325.434 2.220 20 5 EEBDHN C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895245607 684372179 /nfs/dbraw/zinc/37/21/79/684372179.db2.gz GVYYFUCJRCWUQB-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN CC(COC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[N+](=O)[O-] ZINC000813106020 1201098706 /nfs/dbraw/zinc/09/87/06/1201098706.db2.gz XPPHONORVXTHNM-HTQZYQBOSA-N 0 3 349.170 2.320 20 5 EEBDHN CC(COC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813111131 1201123511 /nfs/dbraw/zinc/12/35/11/1201123511.db2.gz OGPKCLWNZAARCG-VIFPVBQESA-N 0 3 326.736 2.289 20 5 EEBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000867832227 1201689887 /nfs/dbraw/zinc/68/98/87/1201689887.db2.gz JVTVZPWXRULRHK-AWEZNQCLSA-N 0 3 335.379 2.410 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC(C)(C)C1 ZINC000890072308 1204777298 /nfs/dbraw/zinc/77/72/98/1204777298.db2.gz QRIFOLNLPUAXKM-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095574726 1205878611 /nfs/dbraw/zinc/87/86/11/1205878611.db2.gz LEYJKUZRLGNTRH-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN CCN(CCCNC(=O)C1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095929351 1226452887 /nfs/dbraw/zinc/45/28/87/1226452887.db2.gz HQIGGOXVZHFVAK-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000801965834 1236550454 /nfs/dbraw/zinc/55/04/54/1236550454.db2.gz YXKDZEXZQWLNQU-LLVKDONJSA-N 0 3 336.367 2.063 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001097228195 1243852484 /nfs/dbraw/zinc/85/24/84/1243852484.db2.gz YHFZGVGPNXDPJM-OKILXGFUSA-N 0 3 332.404 2.138 20 5 EEBDHN CCc1cc(NCCN2CC=CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001116138650 1305858339 /nfs/dbraw/zinc/85/83/39/1305858339.db2.gz MZMMJJBVQLHSBF-UHFFFAOYSA-N 0 3 339.399 2.320 20 5 EEBDHN CC(C)(CO)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109625 1315844996 /nfs/dbraw/zinc/84/49/96/1315844996.db2.gz WJSHMIKLUCIEDR-DLBZAZTESA-N 0 3 345.399 2.373 20 5 EEBDHN O=C(COc1ccc(F)cc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150685686 1316342783 /nfs/dbraw/zinc/34/27/83/1316342783.db2.gz QIPUFIVMVUJICW-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN O=C(Cc1ccsc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154320380 1317071894 /nfs/dbraw/zinc/07/18/94/1317071894.db2.gz LJMYHTURPIRMRR-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155826187 1317750580 /nfs/dbraw/zinc/75/05/80/1317750580.db2.gz BDRNIAQUYKQLEN-DOTOQJQBSA-N 0 3 343.387 2.251 20 5 EEBDHN Cc1cnccc1CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001158112037 1319021826 /nfs/dbraw/zinc/02/18/26/1319021826.db2.gz ZLINIWKEBBSRQQ-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN O=C(CCc1cccnc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161930677 1320680832 /nfs/dbraw/zinc/68/08/32/1320680832.db2.gz ALVCNENMTJJVEK-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CN(C)CCN1C ZINC001262705881 1322354782 /nfs/dbraw/zinc/35/47/82/1322354782.db2.gz WFJFWWHORVWXNN-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609099667 1351842751 /nfs/dbraw/zinc/84/27/51/1351842751.db2.gz TWSSDQLXROSYNG-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609099667 1351842754 /nfs/dbraw/zinc/84/27/54/1351842754.db2.gz TWSSDQLXROSYNG-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001589830195 1349053026 /nfs/dbraw/zinc/05/30/26/1349053026.db2.gz JNAZJYGDARKLHE-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118787 780749733 /nfs/dbraw/zinc/74/97/33/780749733.db2.gz DYTFEAZPMPAENL-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118787 780749740 /nfs/dbraw/zinc/74/97/40/780749740.db2.gz DYTFEAZPMPAENL-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001109547805 805649704 /nfs/dbraw/zinc/64/97/04/805649704.db2.gz WBQZTWKMWNGBFR-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1c[nH]nc1C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996383245 786338925 /nfs/dbraw/zinc/33/89/25/786338925.db2.gz IANXXTXMEBXQAK-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453718 789111289 /nfs/dbraw/zinc/11/12/89/789111289.db2.gz HCGOTLBARHRDDB-TXEJJXNPSA-N 0 3 325.315 2.429 20 5 EEBDHN Cc1[nH]nc(C(C)C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147108866 791706245 /nfs/dbraw/zinc/70/62/45/791706245.db2.gz DYKCWVXZTSTYIC-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147108866 791706250 /nfs/dbraw/zinc/70/62/50/791706250.db2.gz DYKCWVXZTSTYIC-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)s1 ZINC001148602462 792555378 /nfs/dbraw/zinc/55/53/78/792555378.db2.gz CANLLCNZWJWNCZ-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ncc3c2CCNC3)c1F ZINC001173180695 797278531 /nfs/dbraw/zinc/27/85/31/797278531.db2.gz LZLHVYGZASAFOX-JTQLQIEISA-N 0 3 334.351 2.388 20 5 EEBDHN CCNC(=O)CO[C@@H]1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235735 797313663 /nfs/dbraw/zinc/31/36/63/797313663.db2.gz YXEMZRXAWBQZQX-WMLDXEAASA-N 0 3 349.431 2.143 20 5 EEBDHN O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002790037 798599733 /nfs/dbraw/zinc/59/97/33/798599733.db2.gz BBQKBTYMDUGIQP-HUUCEWRRSA-N 0 3 337.807 2.086 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001110266083 801086110 /nfs/dbraw/zinc/08/61/10/801086110.db2.gz KSNGYTJUIJAONK-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN CC(C)(C)OCC(=N)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789592978 808092686 /nfs/dbraw/zinc/09/26/86/808092686.db2.gz SXENNWFVMLIQLZ-UHFFFAOYSA-N 0 3 326.309 2.317 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808354024 812616118 /nfs/dbraw/zinc/61/61/18/812616118.db2.gz GXFMTKCXMKAOOF-JTQLQIEISA-N 0 3 335.451 2.055 20 5 EEBDHN Cc1cc(NC(=O)NCCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC001520384069 1119153646 /nfs/dbraw/zinc/15/36/46/1119153646.db2.gz ABXQQWJGVNWSBX-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049969823 214038566 /nfs/dbraw/zinc/03/85/66/214038566.db2.gz MLPVKFOKVWIELO-AWEZNQCLSA-N 0 3 334.420 2.195 20 5 EEBDHN CCc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171911406 529467811 /nfs/dbraw/zinc/46/78/11/529467811.db2.gz OWBWYGMTEOFYRB-GFCCVEGCSA-N 0 3 347.375 2.040 20 5 EEBDHN O=C(CN[C@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000181493313 234206456 /nfs/dbraw/zinc/20/64/56/234206456.db2.gz PDVPHJSUQYQNHE-CQSZACIVSA-N 0 3 335.404 2.454 20 5 EEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000236848503 535193450 /nfs/dbraw/zinc/19/34/50/535193450.db2.gz FZOFKBQANRSFGW-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108037 240023776 /nfs/dbraw/zinc/02/37/76/240023776.db2.gz VMODNAPMPOQPCL-WBVHZDCISA-N 0 3 348.399 2.484 20 5 EEBDHN COc1ccc(OCCN2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425490852 241148399 /nfs/dbraw/zinc/14/83/99/241148399.db2.gz ZGWAVVCZLFWHJM-MRXNPFEDSA-N 0 3 337.420 2.254 20 5 EEBDHN CCN1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447801309 242317319 /nfs/dbraw/zinc/31/73/19/242317319.db2.gz BQDMCMPDCARIPA-UHFFFAOYSA-N 0 3 348.447 2.323 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451498301 243134020 /nfs/dbraw/zinc/13/40/20/243134020.db2.gz XFOHPLKPLDCWNZ-KBRIMQKVSA-N 0 3 345.399 2.389 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615590 243178579 /nfs/dbraw/zinc/17/85/79/243178579.db2.gz QCUVIHNHRBNADS-CXAGYDPISA-N 0 3 330.388 2.358 20 5 EEBDHN NC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000459769974 245242232 /nfs/dbraw/zinc/24/22/32/245242232.db2.gz GRMLHJVQNGIMNW-UHFFFAOYSA-N 0 3 329.400 2.365 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCCO)[C@H]2CCc3ccccc32)n1 ZINC000176242728 285167962 /nfs/dbraw/zinc/16/79/62/285167962.db2.gz IZIJGMURXRZLEC-INIZCTEOSA-N 0 3 330.388 2.163 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000271216618 256221039 /nfs/dbraw/zinc/22/10/39/256221039.db2.gz IZSJPDVFOPQCQD-XYPHTWIQSA-N 0 3 330.388 2.408 20 5 EEBDHN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272855231 256244160 /nfs/dbraw/zinc/24/41/60/256244160.db2.gz HTYWUMXUEHGYLX-LLVKDONJSA-N 0 3 339.417 2.061 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273483861 256300338 /nfs/dbraw/zinc/30/03/38/256300338.db2.gz JJSDGLYYQIHTJO-CABCVRRESA-N 0 3 335.429 2.247 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119367091 221305031 /nfs/dbraw/zinc/30/50/31/221305031.db2.gz JBUPGYGERHLDCX-MRXNPFEDSA-N 0 3 332.404 2.363 20 5 EEBDHN COc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356636553 141029573 /nfs/dbraw/zinc/02/95/73/141029573.db2.gz RQCJLMCOYCUUDT-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000249747204 160384576 /nfs/dbraw/zinc/38/45/76/160384576.db2.gz ODKBNDBWDZUCLX-MGPQQGTHSA-N 0 3 334.420 2.384 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(C[C@H]2CCOC2)CC1 ZINC000255676386 160397795 /nfs/dbraw/zinc/39/77/95/160397795.db2.gz XTCLUBNPTCDQMB-OICCZTGUSA-N 0 3 331.416 2.262 20 5 EEBDHN CCN(C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000066949222 159005535 /nfs/dbraw/zinc/00/55/35/159005535.db2.gz CYZHAESVWWTMAU-UHFFFAOYSA-N 0 3 349.309 2.217 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081996384 159159375 /nfs/dbraw/zinc/15/93/75/159159375.db2.gz WLEAYWOPPKIDSK-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000089924579 159188849 /nfs/dbraw/zinc/18/88/49/159188849.db2.gz YOOZPQVJGMADPG-UHFFFAOYSA-N 0 3 335.404 2.325 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCC(NC(C)=O)CC1 ZINC000344102185 161198477 /nfs/dbraw/zinc/19/84/77/161198477.db2.gz DZJVUSZIWFNEFB-UHFFFAOYSA-N 0 3 335.404 2.483 20 5 EEBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000344120497 161200267 /nfs/dbraw/zinc/20/02/67/161200267.db2.gz ZVBMAORTWBLIKR-HFBAOOFYSA-N 0 3 333.388 2.327 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000344864181 161251820 /nfs/dbraw/zinc/25/18/20/161251820.db2.gz LQGVKORNUZISHI-QQGHQYIOSA-N 0 3 347.415 2.224 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352574659 162195055 /nfs/dbraw/zinc/19/50/55/162195055.db2.gz IORNMOVYOKYPPF-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365073184 165370150 /nfs/dbraw/zinc/37/01/50/165370150.db2.gz QUVQYLKCELLONL-KGLIPLIRSA-N 0 3 348.403 2.196 20 5 EEBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898003 166148381 /nfs/dbraw/zinc/14/83/81/166148381.db2.gz VSNWCUNFUDWKDI-UKRRQHHQSA-N 0 3 339.779 2.344 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000369626553 166299482 /nfs/dbraw/zinc/29/94/82/166299482.db2.gz BNNYYZIPQPQUFS-HNNXBMFYSA-N 0 3 333.432 2.322 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000376297302 167299632 /nfs/dbraw/zinc/29/96/32/167299632.db2.gz YPWZCCCTMXKKQK-VXGBXAGGSA-N 0 3 334.397 2.251 20 5 EEBDHN Cc1cc(C(=O)NCCCN2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000278652124 269239418 /nfs/dbraw/zinc/23/94/18/269239418.db2.gz SRJVKQKKTFDZTQ-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281138978 269407957 /nfs/dbraw/zinc/40/79/57/269407957.db2.gz UZFYWKIVUZHQLJ-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000274131193 274186610 /nfs/dbraw/zinc/18/66/10/274186610.db2.gz YKCNWRSLUSFZAN-UWVGGRQHSA-N 0 3 327.768 2.201 20 5 EEBDHN Cc1c(NC(=O)CCN2CC[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275423966 274246877 /nfs/dbraw/zinc/24/68/77/274246877.db2.gz HZKXEBGIUYKNEO-OAHLLOKOSA-N 0 3 335.404 2.325 20 5 EEBDHN CCN1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000286797626 274907247 /nfs/dbraw/zinc/90/72/47/274907247.db2.gz VRMHPJOEILGLHX-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCN(C)CC1 ZINC000291334702 275295380 /nfs/dbraw/zinc/29/53/80/275295380.db2.gz WOHOQEIYRGPSCB-UHFFFAOYSA-N 0 3 341.433 2.229 20 5 EEBDHN CC(C)[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000291675554 275328874 /nfs/dbraw/zinc/32/88/74/275328874.db2.gz BUQAOCBBKGRKDT-GFCCVEGCSA-N 0 3 348.325 2.125 20 5 EEBDHN CN1CCC[C@@]2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000338747794 277073103 /nfs/dbraw/zinc/07/31/03/277073103.db2.gz VBFGCCHGVGYNNS-QGZVFWFLSA-N 0 3 327.388 2.460 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229260 278239380 /nfs/dbraw/zinc/23/93/80/278239380.db2.gz SCXKHEZBCWLCFP-UWVGGRQHSA-N 0 3 329.784 2.082 20 5 EEBDHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721560 279828745 /nfs/dbraw/zinc/82/87/45/279828745.db2.gz PADQDORAOJOSRA-RHSMWYFYSA-N 0 3 335.404 2.086 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000282157630 292815473 /nfs/dbraw/zinc/81/54/73/292815473.db2.gz TZRBFPFBSWWNSN-HNNXBMFYSA-N 0 3 333.388 2.133 20 5 EEBDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234344 293158119 /nfs/dbraw/zinc/15/81/19/293158119.db2.gz SJBYXHMKVKBOAC-WMLDXEAASA-N 0 3 338.404 2.081 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000297158072 294166759 /nfs/dbraw/zinc/16/67/59/294166759.db2.gz MLVRPTLPGSIOLG-UHFFFAOYSA-N 0 3 335.408 2.017 20 5 EEBDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025491 314029287 /nfs/dbraw/zinc/02/92/87/314029287.db2.gz QXZLJVCZDCRGRN-QWHCGFSZSA-N 0 3 338.408 2.091 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N(C)C)n1 ZINC000439136138 315069985 /nfs/dbraw/zinc/06/99/85/315069985.db2.gz RJEPKPBMTWOLSE-OAHLLOKOSA-N 0 3 344.371 2.491 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000444401275 315299673 /nfs/dbraw/zinc/29/96/73/315299673.db2.gz BHVXFPREKUCTMY-ZDUSSCGKSA-N 0 3 333.388 2.350 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444621018 315311522 /nfs/dbraw/zinc/31/15/22/315311522.db2.gz XUCZSMADWBHVKU-UHFFFAOYSA-N 0 3 337.424 2.122 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448881522 315396645 /nfs/dbraw/zinc/39/66/45/315396645.db2.gz MBSXQPCLOZQQRO-CQSZACIVSA-N 0 3 343.387 2.151 20 5 EEBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000449225836 315435258 /nfs/dbraw/zinc/43/52/58/315435258.db2.gz PIERYZUPTKLEJG-QWHCGFSZSA-N 0 3 331.372 2.413 20 5 EEBDHN C[C@H](CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141118 318071099 /nfs/dbraw/zinc/07/10/99/318071099.db2.gz CTZBLXWHIODAQO-IPYPFGDCSA-N 0 3 340.445 2.329 20 5 EEBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004833 319234369 /nfs/dbraw/zinc/23/43/69/319234369.db2.gz FZKYDROBDJRJHY-HUUCEWRRSA-N 0 3 331.372 2.470 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2csc3ccccc23)c1 ZINC000578210937 320301154 /nfs/dbraw/zinc/30/11/54/320301154.db2.gz XBBQXQWXUZOEIG-ZDUSSCGKSA-N 0 3 332.385 2.157 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000181963193 323360913 /nfs/dbraw/zinc/36/09/13/323360913.db2.gz GNFSBXOFELEJSS-LRDDRELGSA-N 0 3 335.404 2.224 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000181963169 323361062 /nfs/dbraw/zinc/36/10/62/323361062.db2.gz GNFSBXOFELEJSS-WBMJQRKESA-N 0 3 335.404 2.224 20 5 EEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182298106 323371680 /nfs/dbraw/zinc/37/16/80/323371680.db2.gz RPKBAWGBJPURPM-TZMCWYRMSA-N 0 3 337.376 2.089 20 5 EEBDHN CC(C)N1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000580873739 324143307 /nfs/dbraw/zinc/14/33/07/324143307.db2.gz FPTCLKSWFBSILF-CQSZACIVSA-N 0 3 347.415 2.404 20 5 EEBDHN CCC(CC)Nc1ccncc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000581516468 324268165 /nfs/dbraw/zinc/26/81/65/324268165.db2.gz LOQYVOAGRCXDRI-UHFFFAOYSA-N 0 3 346.391 2.238 20 5 EEBDHN Cc1c(CNC(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358549644 465187114 /nfs/dbraw/zinc/18/71/14/465187114.db2.gz ZHIHERJCWMQRRU-CYBMUJFWSA-N 0 3 334.420 2.434 20 5 EEBDHN CN(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688174 462667657 /nfs/dbraw/zinc/66/76/57/462667657.db2.gz QSIWZLHMPOYWQD-INIZCTEOSA-N 0 3 328.372 2.409 20 5 EEBDHN Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000008097890 462767105 /nfs/dbraw/zinc/76/71/05/462767105.db2.gz ZSNNTSBRDGAXJW-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CCN(C2CC2)CC1 ZINC000065841962 462833194 /nfs/dbraw/zinc/83/31/94/462833194.db2.gz GYIPLIZAGKPBTE-UHFFFAOYSA-N 0 3 342.399 2.293 20 5 EEBDHN Cc1c(CC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000133652829 462955487 /nfs/dbraw/zinc/95/54/87/462955487.db2.gz FIJMYIUHYLETNY-WBVHZDCISA-N 0 3 331.416 2.388 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c2ncccc12 ZINC000092620536 462966008 /nfs/dbraw/zinc/96/60/08/462966008.db2.gz QMJVKOYAZCVFDZ-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133131 463097352 /nfs/dbraw/zinc/09/73/52/463097352.db2.gz ANGLADIVWUHWNC-MRXNPFEDSA-N 0 3 347.415 2.451 20 5 EEBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000070928429 463394696 /nfs/dbraw/zinc/39/46/96/463394696.db2.gz PRRQZYFVEASBFI-UHFFFAOYSA-N 0 3 330.344 2.229 20 5 EEBDHN CCN(CC)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000124285072 463405379 /nfs/dbraw/zinc/40/53/79/463405379.db2.gz BVOSFWHNWNHZCV-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN CN(C)CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000033901285 463425759 /nfs/dbraw/zinc/42/57/59/463425759.db2.gz GNHJCPGGHGYXHT-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126231926 463618412 /nfs/dbraw/zinc/61/84/12/463618412.db2.gz AQYRGLVOMDKKAE-BZNIZROVSA-N 0 3 330.388 2.488 20 5 EEBDHN CCCCN(C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112308910 463697183 /nfs/dbraw/zinc/69/71/83/463697183.db2.gz VENBHXTXFNTGQT-UHFFFAOYSA-N 0 3 339.392 2.074 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178199801 463860256 /nfs/dbraw/zinc/86/02/56/463860256.db2.gz KTOIJCHIEYRAIM-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000287565588 463929914 /nfs/dbraw/zinc/92/99/14/463929914.db2.gz QJNJJVNGMBWIAO-OCCSQVGLSA-N 0 3 343.387 2.101 20 5 EEBDHN Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000262110830 463949768 /nfs/dbraw/zinc/94/97/68/463949768.db2.gz AXMWZVVHNXSXFB-JKSUJKDBSA-N 0 3 325.368 2.470 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](N)c1ccccc1 ZINC000237608881 464348290 /nfs/dbraw/zinc/34/82/90/464348290.db2.gz OHCTYJWHCAGOAX-CXAGYDPISA-N 0 3 342.399 2.459 20 5 EEBDHN COCCN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000264653165 464410439 /nfs/dbraw/zinc/41/04/39/464410439.db2.gz XIRYZMUACJERKZ-LBPRGKRZSA-N 0 3 345.346 2.007 20 5 EEBDHN Cc1cc(NC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000285315143 464521372 /nfs/dbraw/zinc/52/13/72/464521372.db2.gz MKGHEFMOPDXXFV-UHFFFAOYSA-N 0 3 332.360 2.394 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294737187 464590745 /nfs/dbraw/zinc/59/07/45/464590745.db2.gz WFQCEXQQALRQGA-NSHDSACASA-N 0 3 339.367 2.347 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000182218235 464602509 /nfs/dbraw/zinc/60/25/09/464602509.db2.gz PJLGDFNQLUTVOC-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN CC[C@@H](O)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272515914 464641247 /nfs/dbraw/zinc/64/12/47/464641247.db2.gz XOALKPUZUPAMJF-LLVKDONJSA-N 0 3 348.346 2.498 20 5 EEBDHN COc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838678 464705333 /nfs/dbraw/zinc/70/53/33/464705333.db2.gz FTJDWMUPVSYPCG-STQMWFEESA-N 0 3 342.417 2.049 20 5 EEBDHN CCN1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000265863784 464713210 /nfs/dbraw/zinc/71/32/10/464713210.db2.gz TTZKSGVYKFBXSZ-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850678 464717742 /nfs/dbraw/zinc/71/77/42/464717742.db2.gz PHRCQEDLPXSCRC-HIFRSBDPSA-N 0 3 333.388 2.059 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000191158496 464787255 /nfs/dbraw/zinc/78/72/55/464787255.db2.gz ARHOUZORVGQTSI-UHFFFAOYSA-N 0 3 330.388 2.198 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192131296 464871280 /nfs/dbraw/zinc/87/12/80/464871280.db2.gz FEUKSIMVLJSMCD-CABCVRRESA-N 0 3 338.314 2.189 20 5 EEBDHN Cc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183892840 464923341 /nfs/dbraw/zinc/92/33/41/464923341.db2.gz VVLQRNOJCODXGJ-AWEZNQCLSA-N 0 3 349.435 2.051 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000554641045 468435376 /nfs/dbraw/zinc/43/53/76/468435376.db2.gz FNCRWOULHWLTJR-XJKSGUPXSA-N 0 3 342.399 2.326 20 5 EEBDHN Cc1cc(N2C[C@@H](N(C)C)[C@@H](O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954150 465510537 /nfs/dbraw/zinc/51/05/37/465510537.db2.gz JTOHWOIPXOPIKH-OLZOCXBDSA-N 0 3 333.310 2.033 20 5 EEBDHN O=C(CCN1CC[C@@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000353029193 465586865 /nfs/dbraw/zinc/58/68/65/465586865.db2.gz PIYXCFCRKARSKU-LLVKDONJSA-N 0 3 343.330 2.485 20 5 EEBDHN COC(=O)C1CCN(CCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299127679 465614531 /nfs/dbraw/zinc/61/45/31/465614531.db2.gz CDMMPABCEXZHEC-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000344592811 465703421 /nfs/dbraw/zinc/70/34/21/465703421.db2.gz BUGUJCVSILOQEW-CQSZACIVSA-N 0 3 345.403 2.321 20 5 EEBDHN C[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000361064259 465740604 /nfs/dbraw/zinc/74/06/04/465740604.db2.gz BQSLFIOXFLGCBW-SMDDNHRTSA-N 0 3 332.404 2.382 20 5 EEBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011021 468450099 /nfs/dbraw/zinc/45/00/99/468450099.db2.gz UDAXVAUZEBONKP-RDJZCZTQSA-N 0 3 331.372 2.470 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(CC(F)F)CC1 ZINC000361326366 465910938 /nfs/dbraw/zinc/91/09/38/465910938.db2.gz YEZZCTMYTLNPNV-UHFFFAOYSA-N 0 3 329.347 2.423 20 5 EEBDHN O=c1[nH]cnc2cc(N3CCC[C@H](N4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000301296153 465937153 /nfs/dbraw/zinc/93/71/53/465937153.db2.gz YGFLPPBFDNISBF-LBPRGKRZSA-N 0 3 343.387 2.308 20 5 EEBDHN CN1CCC[C@H](N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301775621 466028953 /nfs/dbraw/zinc/02/89/53/466028953.db2.gz HHOZKZTYJRCWNE-LBPRGKRZSA-N 0 3 340.374 2.089 20 5 EEBDHN CC(C)C[C@@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000362828537 466055118 /nfs/dbraw/zinc/05/51/18/466055118.db2.gz UWJLMGUMJJVVIK-AWEZNQCLSA-N 0 3 333.392 3.033 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](N2CCCC2)C1 ZINC000362963506 466147862 /nfs/dbraw/zinc/14/78/62/466147862.db2.gz AHUYHPBTWCKSST-ZDUSSCGKSA-N 0 3 343.387 2.172 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1N(C)C ZINC000331669040 466189250 /nfs/dbraw/zinc/18/92/50/466189250.db2.gz YKQOCNGPPMLKAJ-KGLIPLIRSA-N 0 3 348.428 2.194 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155568 466191944 /nfs/dbraw/zinc/19/19/44/466191944.db2.gz GFSSXXGEAMNCGL-STQMWFEESA-N 0 3 334.372 2.320 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000358036203 466402617 /nfs/dbraw/zinc/40/26/17/466402617.db2.gz KOGSMNUTWDHLFH-TZMCWYRMSA-N 0 3 326.418 2.083 20 5 EEBDHN CC(C)(CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000308646635 466499408 /nfs/dbraw/zinc/49/94/08/466499408.db2.gz GOKCLMQOKBWHAH-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000374796348 466746438 /nfs/dbraw/zinc/74/64/38/466746438.db2.gz UXNKYPNARQWONI-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000373975961 466987626 /nfs/dbraw/zinc/98/76/26/466987626.db2.gz JCOSHHGJCINBOG-DLBZAZTESA-N 0 3 349.431 2.336 20 5 EEBDHN C[C@@H]1NCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000417997901 467016798 /nfs/dbraw/zinc/01/67/98/467016798.db2.gz UQLDXGZXIYWWHW-QWRGUYRKSA-N 0 3 340.811 2.183 20 5 EEBDHN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374309105 467038689 /nfs/dbraw/zinc/03/86/89/467038689.db2.gz IHDOQMNNHBKJBF-HIFRSBDPSA-N 0 3 336.411 2.196 20 5 EEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CC(C)C)n1 ZINC000427613198 467167005 /nfs/dbraw/zinc/16/70/05/467167005.db2.gz BRFUHOYPHKLTGK-ZDUSSCGKSA-N 0 3 337.424 2.052 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCN1C1CC1 ZINC000433804200 467354370 /nfs/dbraw/zinc/35/43/70/467354370.db2.gz XVPMDAHUVRWPDT-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN CN(C)C1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000420624901 467436658 /nfs/dbraw/zinc/43/66/58/467436658.db2.gz JRQSPRZRJMCAAW-UHFFFAOYSA-N 0 3 347.462 2.345 20 5 EEBDHN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000453289762 467477834 /nfs/dbraw/zinc/47/78/34/467477834.db2.gz MOIDYBFWYYYXGH-VXGBXAGGSA-N 0 3 333.396 2.306 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNCc2ccccc21 ZINC000430955000 467481929 /nfs/dbraw/zinc/48/19/29/467481929.db2.gz GZLFFWNDUZAGKD-UHFFFAOYSA-N 0 3 340.383 2.452 20 5 EEBDHN CC(C)(NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431674651 467532907 /nfs/dbraw/zinc/53/29/07/467532907.db2.gz FHKXSUXIOOLLLJ-CYBMUJFWSA-N 0 3 332.404 2.366 20 5 EEBDHN CNc1nc(C(=O)Nc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000454656759 467607945 /nfs/dbraw/zinc/60/79/45/467607945.db2.gz DUHLVJJBVNVKAX-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000457081383 467748369 /nfs/dbraw/zinc/74/83/69/467748369.db2.gz CUTQWDIDNXTDMR-AWEZNQCLSA-N 0 3 335.404 2.467 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000493465609 467916903 /nfs/dbraw/zinc/91/69/03/467916903.db2.gz MOUKNGPLLGWXEO-WHLNPGIBSA-N 0 3 347.415 2.225 20 5 EEBDHN COc1cc(C)cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000567688260 468184230 /nfs/dbraw/zinc/18/42/30/468184230.db2.gz MGBVCSRGJSNNRJ-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691980 468185011 /nfs/dbraw/zinc/18/50/11/468185011.db2.gz LGCGDKABPFZTLD-CABCVRRESA-N 0 3 346.383 2.392 20 5 EEBDHN N[C@@H](CC1CCCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520564893 468257687 /nfs/dbraw/zinc/25/76/87/468257687.db2.gz JIYYGZDGONDKSB-INIZCTEOSA-N 0 3 335.404 2.388 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201016 468510261 /nfs/dbraw/zinc/51/02/61/468510261.db2.gz MOTKSTSFMQSKMI-ZBFHGGJFSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2COCCN2)s1 ZINC000600771851 468653123 /nfs/dbraw/zinc/65/31/23/468653123.db2.gz BPWOFWNXBBGCBE-GFCCVEGCSA-N 0 3 333.413 2.401 20 5 EEBDHN CN(C)Cc1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000600849939 468670001 /nfs/dbraw/zinc/67/00/01/468670001.db2.gz RBHOLWJTJXOFBB-UHFFFAOYSA-N 0 3 328.372 2.367 20 5 EEBDHN CN(C)CCn1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000601289996 468812054 /nfs/dbraw/zinc/81/20/54/468812054.db2.gz YSBVYTAJUFYTCF-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN CC(C)O[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053202 468852172 /nfs/dbraw/zinc/85/21/72/468852172.db2.gz QENYCUQXQWEFGN-DOTOQJQBSA-N 0 3 338.404 2.224 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CC[C@H](O)C2)o1 ZINC000599018139 469089500 /nfs/dbraw/zinc/08/95/00/469089500.db2.gz FGOMXZXDANDQLJ-ZDUSSCGKSA-N 0 3 331.372 2.011 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336910 469230233 /nfs/dbraw/zinc/23/02/33/469230233.db2.gz DYGNFFOAFUCVJV-OGHNNQOOSA-N 0 3 337.420 2.363 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619578442 469644257 /nfs/dbraw/zinc/64/42/57/469644257.db2.gz IDECMKQOCOEZMI-LLVKDONJSA-N 0 3 331.376 2.027 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609920456 469970557 /nfs/dbraw/zinc/97/05/57/469970557.db2.gz NFKWNGPJJCMAPG-HNNXBMFYSA-N 0 3 332.404 2.221 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173714696 529143180 /nfs/dbraw/zinc/14/31/80/529143180.db2.gz YIIWYMWNEIELEH-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000733165326 577206162 /nfs/dbraw/zinc/20/61/62/577206162.db2.gz BUPILZMGWURCSF-INIZCTEOSA-N 0 3 336.436 2.489 20 5 EEBDHN COc1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000771815691 577232341 /nfs/dbraw/zinc/23/23/41/577232341.db2.gz CEEHEFOHTAIYLJ-NSHDSACASA-N 0 3 346.330 2.108 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCc3ccc(O)cc3CC2)cc1 ZINC000776587836 577463433 /nfs/dbraw/zinc/46/34/33/577463433.db2.gz PCDYTDUDCOQQNI-GOSISDBHSA-N 0 3 328.368 2.435 20 5 EEBDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754209011 577802429 /nfs/dbraw/zinc/80/24/29/577802429.db2.gz IVPCVCDSQXGVIK-LBPRGKRZSA-N 0 3 327.768 2.201 20 5 EEBDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826282877 608554040 /nfs/dbraw/zinc/55/40/40/608554040.db2.gz DVWNPUAUUVVHQE-LLVKDONJSA-N 0 3 339.359 2.329 20 5 EEBDHN CCc1ocnc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021919002 676548903 /nfs/dbraw/zinc/54/89/03/676548903.db2.gz JYPPCGUENAHQHP-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)ns1 ZINC001022013357 676583642 /nfs/dbraw/zinc/58/36/42/676583642.db2.gz JKLFMYYQMBFRBU-BETUJISGSA-N 0 3 346.412 2.410 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000103119343 682331487 /nfs/dbraw/zinc/33/14/87/682331487.db2.gz PGYLZFAEWYKBMZ-UHFFFAOYSA-N 0 3 346.431 2.363 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001019933016 683493784 /nfs/dbraw/zinc/49/37/84/683493784.db2.gz VOLRYPULNLEOGQ-SHTZXODSSA-N 0 3 326.356 2.040 20 5 EEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914850714 683990092 /nfs/dbraw/zinc/99/00/92/683990092.db2.gz QKNUOMMVZMSRNY-UHFFFAOYSA-N 0 3 344.371 2.500 20 5 EEBDHN CC1(C)CCN(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000898034968 691857401 /nfs/dbraw/zinc/85/74/01/691857401.db2.gz DWLOEAZNJRVQPT-UHFFFAOYSA-N 0 3 335.404 2.188 20 5 EEBDHN CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001112195445 1186745455 /nfs/dbraw/zinc/74/54/55/1186745455.db2.gz BHQWMCKAJAHREM-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN COc1ccccc1OCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000877984701 1200199924 /nfs/dbraw/zinc/19/99/24/1200199924.db2.gz LZGPCNRUIJPZAK-UHFFFAOYSA-N 0 3 334.376 2.119 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[N+](=O)[O-] ZINC000813102427 1201097287 /nfs/dbraw/zinc/09/72/87/1201097287.db2.gz RJMOQWDDQRJHCY-QWHCGFSZSA-N 0 3 335.360 2.139 20 5 EEBDHN CC(COC(=O)COc1ccc(Oc2ccccn2)cc1)[N+](=O)[O-] ZINC000813109262 1201121531 /nfs/dbraw/zinc/12/15/31/1201121531.db2.gz HMUFWMOREQUQKN-GFCCVEGCSA-N 0 3 332.312 2.461 20 5 EEBDHN CN1CCN(C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866214077 1201467839 /nfs/dbraw/zinc/46/78/39/1201467839.db2.gz HTXLQKSRYXGMDX-UHFFFAOYSA-N 0 3 338.839 2.464 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095435328 1205747798 /nfs/dbraw/zinc/74/77/98/1205747798.db2.gz FECMTLJAJJMQAW-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095605633 1205889060 /nfs/dbraw/zinc/88/90/60/1205889060.db2.gz VDRIFENFDBRRQD-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1C ZINC001019987254 1229429977 /nfs/dbraw/zinc/42/99/77/1229429977.db2.gz UAENWMRFQUXBPI-SHTZXODSSA-N 0 3 342.399 2.292 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097054118 1243633139 /nfs/dbraw/zinc/63/31/39/1243633139.db2.gz KOJPCQHOKRWCLN-SHTZXODSSA-N 0 3 334.420 2.304 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097054468 1243633479 /nfs/dbraw/zinc/63/34/79/1243633479.db2.gz YHOMQJOBALVEBC-HAQNSBGRSA-N 0 3 338.383 2.135 20 5 EEBDHN CCCOCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222563887 1299686774 /nfs/dbraw/zinc/68/67/74/1299686774.db2.gz IBKIPLDUMRVQRR-UHFFFAOYSA-N 0 3 349.431 2.350 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096897 1301685965 /nfs/dbraw/zinc/68/59/65/1301685965.db2.gz VKGUHXVMFUZKAO-GFCCVEGCSA-N 0 3 332.360 2.495 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096897 1301685976 /nfs/dbraw/zinc/68/59/76/1301685976.db2.gz VKGUHXVMFUZKAO-GFCCVEGCSA-N 0 3 332.360 2.495 20 5 EEBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784722010 1304534312 /nfs/dbraw/zinc/53/43/12/1304534312.db2.gz VHJSGBVZILKDHG-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN COC(=O)c1ccc(OC(=O)C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000784813896 1304555028 /nfs/dbraw/zinc/55/50/28/1304555028.db2.gz YGSXJAFQZCZZDY-UHFFFAOYSA-N 0 3 348.355 2.161 20 5 EEBDHN COCCCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235338833 1305198670 /nfs/dbraw/zinc/19/86/70/1305198670.db2.gz OZKFQQUIFRDYNE-UHFFFAOYSA-N 0 3 337.420 2.350 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CNCCN4)n3)nc12 ZINC001247717693 1310696672 /nfs/dbraw/zinc/69/66/72/1310696672.db2.gz SOUAKZMXYZTKRV-AWEZNQCLSA-N 0 3 332.367 2.067 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccsn1 ZINC001160698394 1320239200 /nfs/dbraw/zinc/23/92/00/1320239200.db2.gz YZAYDZZCABLXLF-UHFFFAOYSA-N 0 3 326.403 2.023 20 5 EEBDHN Cc1nc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001150376430 1316247092 /nfs/dbraw/zinc/24/70/92/1316247092.db2.gz DHJRPSUKDIFKHY-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)N(C)C)CC1 ZINC001254571375 1318125651 /nfs/dbraw/zinc/12/56/51/1318125651.db2.gz UBSXVCYTLCGTAQ-CYBMUJFWSA-N 0 3 334.420 2.261 20 5 EEBDHN CCOC(=O)c1cccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577213 1318127793 /nfs/dbraw/zinc/12/77/93/1318127793.db2.gz CZFKLHZNAGQNQQ-OAHLLOKOSA-N 0 3 341.367 2.424 20 5 EEBDHN Cc1ccn(C)c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157110663 1318415067 /nfs/dbraw/zinc/41/50/67/1318415067.db2.gz LGYMIPXKVCQFNL-UHFFFAOYSA-N 0 3 330.388 2.151 20 5 EEBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001162296559 1320812114 /nfs/dbraw/zinc/81/21/14/1320812114.db2.gz HLSZKVWFYCIYAA-UHFFFAOYSA-N 0 3 328.785 2.185 20 5 EEBDHN CN(C)/C=C/c1cc(N2CCN(C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165091438 1321453058 /nfs/dbraw/zinc/45/30/58/1321453058.db2.gz UKJCDHNIJNORFO-VOTSOKGWSA-N 0 3 333.436 2.443 20 5 EEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1ncc2c1CCNC2 ZINC001165219840 1321475944 /nfs/dbraw/zinc/47/59/44/1321475944.db2.gz WWWIDKJCGYUUBH-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN Cc1c(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)ccn1C ZINC001166156588 1321665910 /nfs/dbraw/zinc/66/59/10/1321665910.db2.gz XGNSJICUSXQBRG-UHFFFAOYSA-N 0 3 336.417 2.213 20 5 EEBDHN CCOCC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001204356757 1322126590 /nfs/dbraw/zinc/12/65/90/1322126590.db2.gz QSUNCJKVVYQNCY-UHFFFAOYSA-N 0 3 341.433 2.021 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001262706234 1322354702 /nfs/dbraw/zinc/35/47/02/1322354702.db2.gz HKCRBSWPAHCZJB-ZDUSSCGKSA-N 0 3 346.431 2.408 20 5 EEBDHN CC(C)OCCC[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603352442 1350693383 /nfs/dbraw/zinc/69/33/83/1350693383.db2.gz WPYBXKAMGQRGAZ-UHFFFAOYSA-N 0 3 334.380 2.022 20 5 EEBDHN CC(C)OCCC[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603352442 1350693389 /nfs/dbraw/zinc/69/33/89/1350693389.db2.gz WPYBXKAMGQRGAZ-UHFFFAOYSA-N 0 3 334.380 2.022 20 5 EEBDHN CN1CCN(Cc2cccc(CNc3ncc([N+](=O)[O-])s3)c2)CC1 ZINC001321230023 1333049823 /nfs/dbraw/zinc/04/98/23/1333049823.db2.gz FGTJXUINGLLGPB-UHFFFAOYSA-N 0 3 347.444 2.411 20 5 EEBDHN CC(C)(C)N1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC001329581425 1334678558 /nfs/dbraw/zinc/67/85/58/1334678558.db2.gz GVPCETKCRDBINK-UHFFFAOYSA-N 0 3 344.419 2.227 20 5 EEBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001335460115 1336378643 /nfs/dbraw/zinc/37/86/43/1336378643.db2.gz LHUNDKBDWQKWOO-AWEZNQCLSA-N 0 3 344.433 2.019 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001337536714 1336712069 /nfs/dbraw/zinc/71/20/69/1336712069.db2.gz XARHRLDJPXVGPW-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575693065 1343857005 /nfs/dbraw/zinc/85/70/05/1343857005.db2.gz KVIYOJWUMCUYPG-UHFFFAOYSA-N 0 3 349.370 2.200 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575693065 1343857009 /nfs/dbraw/zinc/85/70/09/1343857009.db2.gz KVIYOJWUMCUYPG-UHFFFAOYSA-N 0 3 349.370 2.200 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575693065 1343857013 /nfs/dbraw/zinc/85/70/13/1343857013.db2.gz KVIYOJWUMCUYPG-UHFFFAOYSA-N 0 3 349.370 2.200 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575693065 1343857015 /nfs/dbraw/zinc/85/70/15/1343857015.db2.gz KVIYOJWUMCUYPG-UHFFFAOYSA-N 0 3 349.370 2.200 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1F ZINC001579642413 1344402486 /nfs/dbraw/zinc/40/24/86/1344402486.db2.gz FACQPBAEVNOCFK-BDAKNGLRSA-N 0 3 343.330 2.024 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603904707 1350798719 /nfs/dbraw/zinc/79/87/19/1350798719.db2.gz AWIHORYKEOVJTJ-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603904707 1350798721 /nfs/dbraw/zinc/79/87/21/1350798721.db2.gz AWIHORYKEOVJTJ-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001100346924 1410550684 /nfs/dbraw/zinc/55/06/84/1410550684.db2.gz KBSXRTFRGNFKHZ-UHFFFAOYSA-N 0 3 348.447 2.188 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(CN)c3ccccc32)c1 ZINC001167697851 761858022 /nfs/dbraw/zinc/85/80/22/761858022.db2.gz FZIXFCZYTMYNEZ-UHFFFAOYSA-N 0 3 326.312 2.179 20 5 EEBDHN CC1CCN(CC(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107300845 786765607 /nfs/dbraw/zinc/76/56/07/786765607.db2.gz YPDXNQJRUXSFEJ-IHWYPQMZSA-N 0 3 346.431 2.411 20 5 EEBDHN CN(C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825510708 788660044 /nfs/dbraw/zinc/66/00/44/788660044.db2.gz FHLNPKBEAHIDJN-KRWDZBQOSA-N 0 3 343.383 2.223 20 5 EEBDHN CCCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000171681517 791439445 /nfs/dbraw/zinc/43/94/45/791439445.db2.gz PQKCRWUVSLFTCG-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CN(C)C(C)C ZINC001106779029 796521928 /nfs/dbraw/zinc/52/19/28/796521928.db2.gz RLWDKIICCYULHS-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H]3C[C@H](CO)C[C@H]31)CC2 ZINC001172903918 797131045 /nfs/dbraw/zinc/13/10/45/797131045.db2.gz JPBWNKYBVUSKMW-ZQNRLITLSA-N 0 3 346.427 2.314 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cnccn2)C1 ZINC001173238544 797324676 /nfs/dbraw/zinc/32/46/76/797324676.db2.gz VEDZVOPOPPXQSA-XJKSGUPXSA-N 0 3 328.372 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c(OC(F)F)c1 ZINC000785802541 806605065 /nfs/dbraw/zinc/60/50/65/806605065.db2.gz VRROXYLROFBVSY-RYUDHWBXSA-N 0 3 343.330 2.471 20 5 EEBDHN C/C=C(/C)C(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001178149259 799301065 /nfs/dbraw/zinc/30/10/65/799301065.db2.gz KMGCRKLDVBQINO-PQMHYQBVSA-N 0 3 337.424 2.061 20 5 EEBDHN COc1ccc(C[C@@H](C)N[C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329235 809893797 /nfs/dbraw/zinc/89/37/97/809893797.db2.gz YBHZRMSMMWFOAD-MLGOLLRUSA-N 0 3 331.372 2.253 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000055757384 214341019 /nfs/dbraw/zinc/34/10/19/214341019.db2.gz ZQFXNNLMCIWZFI-RWMBFGLXSA-N 0 3 334.420 2.394 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183473579 235098218 /nfs/dbraw/zinc/09/82/18/235098218.db2.gz ICSUYOGSBCUPEE-LBPRGKRZSA-N 0 3 327.768 2.201 20 5 EEBDHN CSc1cccc(C(=O)Nc2ccnn2CCN(C)C)c1[N+](=O)[O-] ZINC000411004515 238331131 /nfs/dbraw/zinc/33/11/31/238331131.db2.gz WJTTWNVBNRSMDA-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN C[C@H](N[C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597821 243171321 /nfs/dbraw/zinc/17/13/21/243171321.db2.gz DLUPKRYTQYNYTO-PZSREKOKSA-N 0 3 347.415 2.309 20 5 EEBDHN CC(COC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000496143219 247344820 /nfs/dbraw/zinc/34/48/20/247344820.db2.gz RAKPFEHPWUBAOJ-SECBINFHSA-N 0 3 328.321 2.126 20 5 EEBDHN COc1ccc(OCCN2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266561144 248360360 /nfs/dbraw/zinc/36/03/60/248360360.db2.gz NADLJHCNICHOAD-UHFFFAOYSA-N 0 3 336.388 2.485 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000270453840 256137017 /nfs/dbraw/zinc/13/70/17/256137017.db2.gz LHRDMXWJCUQDLB-CQSZACIVSA-N 0 3 340.387 2.306 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272825959 256242404 /nfs/dbraw/zinc/24/24/04/256242404.db2.gz MAZWBOGXTPUJHQ-FZMZJTMJSA-N 0 3 334.376 2.161 20 5 EEBDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273066687 256261957 /nfs/dbraw/zinc/26/19/57/256261957.db2.gz YYXPFJBXNMDFHU-LLVKDONJSA-N 0 3 348.359 2.192 20 5 EEBDHN CCOC(=O)CCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665239 292168233 /nfs/dbraw/zinc/16/82/33/292168233.db2.gz GATNLZRRIXAJHL-CYBMUJFWSA-N 0 3 336.392 2.209 20 5 EEBDHN CSc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000359493274 153398569 /nfs/dbraw/zinc/39/85/69/153398569.db2.gz MFELUTPYDGGYKJ-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN CN1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000131302647 292385778 /nfs/dbraw/zinc/38/57/78/292385778.db2.gz KIRFHGXGBVHZMU-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN CN(C)Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000073067701 159049669 /nfs/dbraw/zinc/04/96/69/159049669.db2.gz IJWVEEQDPHZKMZ-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000344120499 161200083 /nfs/dbraw/zinc/20/00/83/161200083.db2.gz ZVBMAORTWBLIKR-LYRGGWFBSA-N 0 3 333.388 2.327 20 5 EEBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352709887 162253666 /nfs/dbraw/zinc/25/36/66/162253666.db2.gz OKITWJFBGFSNDH-CYBMUJFWSA-N 0 3 341.795 2.327 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356288511 163394377 /nfs/dbraw/zinc/39/43/77/163394377.db2.gz KZCIATAJYOFFQG-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN Cc1cc(N(C)CCN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272805847 269021956 /nfs/dbraw/zinc/02/19/56/269021956.db2.gz FSMXRZXLUDFQMT-UHFFFAOYSA-N 0 3 330.388 2.220 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000277623248 269164281 /nfs/dbraw/zinc/16/42/81/269164281.db2.gz WNJURGFUKAXUAB-OAHLLOKOSA-N 0 3 347.415 2.497 20 5 EEBDHN O=c1ccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278510297 269235336 /nfs/dbraw/zinc/23/53/36/269235336.db2.gz DZOYRFIMMNRSLN-INIZCTEOSA-N 0 3 343.383 2.048 20 5 EEBDHN CN(CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000280210583 269338684 /nfs/dbraw/zinc/33/86/84/269338684.db2.gz QBTYHUQUYSLDRP-UHFFFAOYSA-N 0 3 329.759 2.140 20 5 EEBDHN CC[C@H](NC[C@@H](O)CO[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342701 274349175 /nfs/dbraw/zinc/34/91/75/274349175.db2.gz MACRONZMNWLQOA-WQVCFCJDSA-N 0 3 326.393 2.048 20 5 EEBDHN CCOc1ccc([C@H](C)NCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287146539 274938992 /nfs/dbraw/zinc/93/89/92/274938992.db2.gz AZGFNPAHUBCLAP-LBPRGKRZSA-N 0 3 326.393 2.432 20 5 EEBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000288276848 275041750 /nfs/dbraw/zinc/04/17/50/275041750.db2.gz QXDPEGVJQPSBNW-WCQYABFASA-N 0 3 328.376 2.042 20 5 EEBDHN O=[N+]([O-])c1cnn(CCNCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000289624798 275133686 /nfs/dbraw/zinc/13/36/86/275133686.db2.gz WPRFKYQRKRREMR-UHFFFAOYSA-N 0 3 330.266 2.306 20 5 EEBDHN C[C@H]1CCCN(C(C)(C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290532912 275215847 /nfs/dbraw/zinc/21/58/47/275215847.db2.gz HOAXVULSQNWICO-NSHDSACASA-N 0 3 335.408 2.011 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133514626 276300876 /nfs/dbraw/zinc/30/08/76/276300876.db2.gz LHYDLEBOCGWBNR-GHMZBOCLSA-N 0 3 334.376 2.204 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1N(C)C ZINC000270501367 278165171 /nfs/dbraw/zinc/16/51/71/278165171.db2.gz PTYBHDNWQNLNIX-PWSUYJOCSA-N 0 3 329.447 2.082 20 5 EEBDHN Cn1ccnc1[C@@H](NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353455386 279375526 /nfs/dbraw/zinc/37/55/26/279375526.db2.gz PSOGXMKXSGVZFY-INIZCTEOSA-N 0 3 329.404 2.102 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000297567165 294282031 /nfs/dbraw/zinc/28/20/31/294282031.db2.gz RWOWKYCCPBHQEN-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000332262930 311979489 /nfs/dbraw/zinc/97/94/89/311979489.db2.gz FVLHUHUOJSARPI-OAHLLOKOSA-N 0 3 346.431 2.402 20 5 EEBDHN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1=CCN(C)CC1 ZINC000332500391 312016138 /nfs/dbraw/zinc/01/61/38/312016138.db2.gz QZVNAKNBDPHNID-ZDUSSCGKSA-N 0 3 344.415 2.313 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000332511032 312017628 /nfs/dbraw/zinc/01/76/28/312017628.db2.gz UWBOGXDQGVIJTL-LSDHHAIUSA-N 0 3 346.431 2.400 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](O)[C@H](CO)C3)s2)cc1 ZINC000414551436 313039174 /nfs/dbraw/zinc/03/91/74/313039174.db2.gz BDAJAAMZVUNXOI-XJKSGUPXSA-N 0 3 348.424 2.498 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](O)[C@H](CO)C2)s1 ZINC000414552299 313039835 /nfs/dbraw/zinc/03/98/35/313039835.db2.gz DEGKWRRNWQSBAC-LRDDRELGSA-N 0 3 348.424 2.498 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000421709460 314148060 /nfs/dbraw/zinc/14/80/60/314148060.db2.gz FJFWKBIMHNWEEP-GFCCVEGCSA-N 0 3 328.372 2.309 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342610 315243036 /nfs/dbraw/zinc/24/30/36/315243036.db2.gz FFAXWRMWUKVJAS-YDHLFZDLSA-N 0 3 338.404 2.464 20 5 EEBDHN CNc1nc(C(=O)N(CC(C)C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455662710 315679598 /nfs/dbraw/zinc/67/95/98/315679598.db2.gz KNBNAVNYSVXUIS-UHFFFAOYSA-N 0 3 349.435 2.224 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC000516598163 316573673 /nfs/dbraw/zinc/57/36/73/316573673.db2.gz NUXSLRBCSHVGTK-AWEZNQCLSA-N 0 3 338.310 2.403 20 5 EEBDHN CCC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000540972598 318089270 /nfs/dbraw/zinc/08/92/70/318089270.db2.gz KDBHPOAOLADYIY-UHFFFAOYSA-N 0 3 334.420 2.319 20 5 EEBDHN Cn1cc2c(n1)CCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576031069 320134985 /nfs/dbraw/zinc/13/49/85/320134985.db2.gz ACRDWCRASVBJKX-CYBMUJFWSA-N 0 3 343.387 2.324 20 5 EEBDHN Cc1ccccc1CN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000576808510 320205797 /nfs/dbraw/zinc/20/57/97/320205797.db2.gz MBDSJHHLWLKDTP-UHFFFAOYSA-N 0 3 343.387 2.021 20 5 EEBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000580733701 324120430 /nfs/dbraw/zinc/12/04/30/324120430.db2.gz UCNHZDXVZBFFEL-CYBMUJFWSA-N 0 3 345.403 2.418 20 5 EEBDHN CN(C)[C@@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706890 449389593 /nfs/dbraw/zinc/38/95/93/449389593.db2.gz HMWHECOJPMAKCX-OAHLLOKOSA-N 0 3 333.417 2.387 20 5 EEBDHN CC[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(CC)CC ZINC000347461594 465036231 /nfs/dbraw/zinc/03/62/31/465036231.db2.gz GIUCYLNOIAZLEP-INIZCTEOSA-N 0 3 335.404 2.305 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000341309142 465103940 /nfs/dbraw/zinc/10/39/40/465103940.db2.gz UXOULEREWFIQFY-UHFFFAOYSA-N 0 3 341.433 2.276 20 5 EEBDHN O=C(c1ccncc1)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000337077328 465181333 /nfs/dbraw/zinc/18/13/33/465181333.db2.gz RPEJDMJKBCXZSV-UHFFFAOYSA-N 0 3 340.383 2.384 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520854828 468276324 /nfs/dbraw/zinc/27/63/24/468276324.db2.gz FRZUHQFJDSOQOI-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000590688533 468306757 /nfs/dbraw/zinc/30/67/57/468306757.db2.gz IZTIRSTUDIECCE-IAGOWNOFSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@@H](C(C)C)N(C)C)c([N+](=O)[O-])c1 ZINC000128356983 462632471 /nfs/dbraw/zinc/63/24/71/462632471.db2.gz LITLBHJOUYJYNO-MRXNPFEDSA-N 0 3 336.436 2.408 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCCCC1 ZINC000153651455 462675628 /nfs/dbraw/zinc/67/56/28/462675628.db2.gz IBPUYNONLXUPMS-UHFFFAOYSA-N 0 3 330.388 2.221 20 5 EEBDHN O=C(CN1CCN(C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000075633747 462742017 /nfs/dbraw/zinc/74/20/17/462742017.db2.gz CDSBUQBCKVPLHN-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN C[C@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015506 462766856 /nfs/dbraw/zinc/76/68/56/462766856.db2.gz ZULJWTNRZLATKX-STQMWFEESA-N 0 3 341.433 2.041 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000132354617 462852536 /nfs/dbraw/zinc/85/25/36/462852536.db2.gz TWEGATQUSXMSNV-GOSISDBHSA-N 0 3 328.368 2.397 20 5 EEBDHN Cc1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000590781316 468337497 /nfs/dbraw/zinc/33/74/97/468337497.db2.gz VUCGACUHVFDYRJ-UHFFFAOYSA-N 0 3 329.356 2.402 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079682373 463239813 /nfs/dbraw/zinc/23/98/13/463239813.db2.gz VLEGRQVQUQPUHP-SECBINFHSA-N 0 3 331.294 2.295 20 5 EEBDHN O=C(NCCN1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771259 463248810 /nfs/dbraw/zinc/24/88/10/463248810.db2.gz KHZMIGYPKXHBQP-UHFFFAOYSA-N 0 3 342.193 2.183 20 5 EEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000150292606 463412740 /nfs/dbraw/zinc/41/27/40/463412740.db2.gz NEOLTOZHDUHDOP-VIFPVBQESA-N 0 3 335.813 2.044 20 5 EEBDHN CC(C)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041894489 463519103 /nfs/dbraw/zinc/51/91/03/463519103.db2.gz LZJGBDZIKGSJFB-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000151803815 463593752 /nfs/dbraw/zinc/59/37/52/463593752.db2.gz QIFYPFONOIONBZ-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN CC(C)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834352 463632909 /nfs/dbraw/zinc/63/29/09/463632909.db2.gz OSRWGRXPOUCADN-CZUORRHYSA-N 0 3 335.404 2.129 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000170684385 463695279 /nfs/dbraw/zinc/69/52/79/463695279.db2.gz NNXLLJSMFJVJKB-ZDUSSCGKSA-N 0 3 348.359 2.203 20 5 EEBDHN Cc1c([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969927 463758444 /nfs/dbraw/zinc/75/84/44/463758444.db2.gz IJISQSBFAPIQRK-STQMWFEESA-N 0 3 326.418 2.379 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000492292757 468376279 /nfs/dbraw/zinc/37/62/79/468376279.db2.gz YVPQKMNZQZPADL-AJNJCKRNSA-N 0 3 335.429 2.112 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287205721 463832846 /nfs/dbraw/zinc/83/28/46/463832846.db2.gz POKMXMPPGXMQIZ-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1OC ZINC000276997940 463835453 /nfs/dbraw/zinc/83/54/53/463835453.db2.gz NXKPFGOFCIRZHR-GXTWGEPZSA-N 0 3 337.376 2.089 20 5 EEBDHN C[C@@](CO)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591014037 468392260 /nfs/dbraw/zinc/39/22/60/468392260.db2.gz VMBWIIODGXYPEC-SFHVURJKSA-N 0 3 343.383 2.421 20 5 EEBDHN CCC(=O)c1ccc(NCCN2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000280094313 464188243 /nfs/dbraw/zinc/18/82/43/464188243.db2.gz TUIKBLBVLOJFKQ-UHFFFAOYSA-N 0 3 334.420 2.237 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264419938 464318589 /nfs/dbraw/zinc/31/85/89/464318589.db2.gz QXLLLQYHNPKGOV-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)CNC2 ZINC000188684340 464342902 /nfs/dbraw/zinc/34/29/02/464342902.db2.gz WVPFNJNQMYHKDC-UHFFFAOYSA-N 0 3 325.368 2.447 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180890516 464415280 /nfs/dbraw/zinc/41/52/80/464415280.db2.gz HVOQUKZKIWOAGH-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153535 464498727 /nfs/dbraw/zinc/49/87/27/464498727.db2.gz CZXYXADEQDFLQJ-FZMZJTMJSA-N 0 3 341.358 2.485 20 5 EEBDHN C[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(C)C ZINC000294554222 464534821 /nfs/dbraw/zinc/53/48/21/464534821.db2.gz YRSRFPYSDREBCH-GFCCVEGCSA-N 0 3 328.372 2.337 20 5 EEBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281689806 464548668 /nfs/dbraw/zinc/54/86/68/464548668.db2.gz RROLADHXXHARFY-UHFFFAOYSA-N 0 3 327.816 2.081 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000272371081 464581519 /nfs/dbraw/zinc/58/15/19/464581519.db2.gz RYQXKRVRWBFYMJ-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285692132 464661726 /nfs/dbraw/zinc/66/17/26/464661726.db2.gz GYRXNXQODHPCGX-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1cc(OCC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285977066 464762039 /nfs/dbraw/zinc/76/20/39/464762039.db2.gz WXFWFVHZAKFOEH-GJZGRUSLSA-N 0 3 347.415 2.367 20 5 EEBDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994083 464767169 /nfs/dbraw/zinc/76/71/69/464767169.db2.gz FYULHEQVNVKPRA-WDEREUQCSA-N 0 3 335.360 2.430 20 5 EEBDHN C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000249047377 464833100 /nfs/dbraw/zinc/83/31/00/464833100.db2.gz NVDXUBGYUSHVEV-QWHCGFSZSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900510 464863871 /nfs/dbraw/zinc/86/38/71/464863871.db2.gz UBFNXMLQVGSEHZ-RHSMWYFYSA-N 0 3 348.447 2.188 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000286283521 464867284 /nfs/dbraw/zinc/86/72/84/464867284.db2.gz IGKUMRBFCHWCQL-GOSISDBHSA-N 0 3 339.399 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1F ZINC000276509694 464961590 /nfs/dbraw/zinc/96/15/90/464961590.db2.gz DPRBSSHLLNAOBI-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CC(C)(C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786440 464963622 /nfs/dbraw/zinc/96/36/22/464963622.db2.gz ZHYQCERAFXSHJX-BBRMVZONSA-N 0 3 349.431 2.242 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273682 465002314 /nfs/dbraw/zinc/00/23/14/465002314.db2.gz VTZLOWZWIKBUAL-BLLLJJGKSA-N 0 3 331.416 2.471 20 5 EEBDHN CC[C@@H](C)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295931842 465008482 /nfs/dbraw/zinc/00/84/82/465008482.db2.gz FZUCJGZBJDXDNB-CQSZACIVSA-N 0 3 337.420 2.398 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919703 465388422 /nfs/dbraw/zinc/38/84/22/465388422.db2.gz IYQCHNZCTIUWQO-LBPRGKRZSA-N 0 3 330.388 2.490 20 5 EEBDHN CC(C)[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1C ZINC000343217212 465490784 /nfs/dbraw/zinc/49/07/84/465490784.db2.gz QTZBPDSUFWNZQF-AWEZNQCLSA-N 0 3 331.376 2.020 20 5 EEBDHN CSC1(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000362331124 465659034 /nfs/dbraw/zinc/65/90/34/465659034.db2.gz BDTDTUFPKZJTKV-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C)C1 ZINC000299236334 465659791 /nfs/dbraw/zinc/65/97/91/465659791.db2.gz HEVFPKVBUFBUIW-NWDGAFQWSA-N 0 3 345.403 2.321 20 5 EEBDHN Nc1nc(NC[C@@H]2CCCN(Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000299429427 465745498 /nfs/dbraw/zinc/74/54/98/465745498.db2.gz CAICENHRGCLQRJ-NSHDSACASA-N 0 3 348.432 2.353 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(CCCn3ccnc3)CC2)n1 ZINC000361076355 465749567 /nfs/dbraw/zinc/74/95/67/465749567.db2.gz XWFGBIZSTICLRR-UHFFFAOYSA-N 0 3 332.408 2.180 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000593984599 468452325 /nfs/dbraw/zinc/45/23/25/468452325.db2.gz VMZKXJHVVKHHSU-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346216009 466000547 /nfs/dbraw/zinc/00/05/47/466000547.db2.gz ZPOMTPTVYVLVGT-SNVBAGLBSA-N 0 3 334.401 2.398 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@H]2c2ccco2)c1 ZINC000304332297 466284886 /nfs/dbraw/zinc/28/48/86/466284886.db2.gz VOJUZOJTYPXOHP-CABCVRRESA-N 0 3 334.376 2.363 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000362023590 466492017 /nfs/dbraw/zinc/49/20/17/466492017.db2.gz ONWMHWJTDGDQKB-AWEZNQCLSA-N 0 3 340.383 2.062 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205568 466728514 /nfs/dbraw/zinc/72/85/14/466728514.db2.gz UIIWRJSDYAVNFU-ZWKOTPCHSA-N 0 3 346.358 2.361 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](O)C[C@H]2CO)s1 ZINC000373587724 466857389 /nfs/dbraw/zinc/85/73/89/466857389.db2.gz YPWZCCCTMXKKQK-NWDGAFQWSA-N 0 3 334.397 2.251 20 5 EEBDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318359 467325242 /nfs/dbraw/zinc/32/52/42/467325242.db2.gz NGZXBJBCXCJYJT-AAEUAGOBSA-N 0 3 341.367 2.384 20 5 EEBDHN CN(CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496730731 467699912 /nfs/dbraw/zinc/69/99/12/467699912.db2.gz OCKGREBBGGYXHK-CQSZACIVSA-N 0 3 339.392 2.085 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457132128 467762580 /nfs/dbraw/zinc/76/25/80/467762580.db2.gz UJXZOWVXCAECBS-GFCCVEGCSA-N 0 3 331.376 2.026 20 5 EEBDHN Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458260637 467799200 /nfs/dbraw/zinc/79/92/00/467799200.db2.gz HZQWKMRZDBSTQB-UHFFFAOYSA-N 0 3 330.344 2.318 20 5 EEBDHN CO[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598677 468180541 /nfs/dbraw/zinc/18/05/41/468180541.db2.gz RTWKHNWDFZFDNA-MAUKXSAKSA-N 0 3 346.383 2.312 20 5 EEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000570228519 468608000 /nfs/dbraw/zinc/60/80/00/468608000.db2.gz NSEWKXGFMVBTJF-HNNXBMFYSA-N 0 3 345.403 2.204 20 5 EEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1F)[C@]1(O)CCCOC1 ZINC000594997362 468741133 /nfs/dbraw/zinc/74/11/33/468741133.db2.gz WPSLCNNPRNFRSE-INIZCTEOSA-N 0 3 326.368 2.391 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3ccncc3)C2)c1 ZINC000559637752 468749940 /nfs/dbraw/zinc/74/99/40/468749940.db2.gz ZQWPJBICYRGOBM-RDJZCZTQSA-N 0 3 343.383 2.219 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258668 468795764 /nfs/dbraw/zinc/79/57/64/468795764.db2.gz VUHLMUFJCUSYPW-KRWDZBQOSA-N 0 3 341.367 2.437 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598262893 468810965 /nfs/dbraw/zinc/81/09/65/468810965.db2.gz NNMQLCAJDCMYFA-LBPRGKRZSA-N 0 3 345.403 2.321 20 5 EEBDHN COC(=O)c1ccnc(NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598590464 468925101 /nfs/dbraw/zinc/92/51/01/468925101.db2.gz ZCBICAMRRXUTPQ-UHFFFAOYSA-N 0 3 344.371 2.320 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598627957 468937676 /nfs/dbraw/zinc/93/76/76/468937676.db2.gz XKOCFFCFNVHPEN-GFCCVEGCSA-N 0 3 348.403 2.087 20 5 EEBDHN C[C@@H]1CN(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635446 468979480 /nfs/dbraw/zinc/97/94/80/468979480.db2.gz YVPCPWLDIPVGJN-CYBMUJFWSA-N 0 3 348.403 2.327 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000602644932 468984368 /nfs/dbraw/zinc/98/43/68/468984368.db2.gz PJMJNACIMZTQCG-NWDGAFQWSA-N 0 3 348.321 2.348 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H](CC)CN2CCCC2)c1[N+](=O)[O-] ZINC000610575728 469006824 /nfs/dbraw/zinc/00/68/24/469006824.db2.gz FIXBCWCRPHQSGN-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000610582716 469010500 /nfs/dbraw/zinc/01/05/00/469010500.db2.gz QZTPKRYDXVPBCN-HNNXBMFYSA-N 0 3 326.360 2.019 20 5 EEBDHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000611208167 469192218 /nfs/dbraw/zinc/19/22/18/469192218.db2.gz HLWREOIXTRZRRG-CQSZACIVSA-N 0 3 343.387 2.275 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611274778 469218138 /nfs/dbraw/zinc/21/81/38/469218138.db2.gz GABUIIPTAPJLLH-STQMWFEESA-N 0 3 334.372 2.224 20 5 EEBDHN CN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC000608886375 469884505 /nfs/dbraw/zinc/88/45/05/469884505.db2.gz CPGOLMGMVNAJAI-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000610209672 469988585 /nfs/dbraw/zinc/98/85/85/469988585.db2.gz WNXASGLVSAMPCX-RISCZKNCSA-N 0 3 332.404 2.382 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000183573701 534423090 /nfs/dbraw/zinc/42/30/90/534423090.db2.gz LTVYFSITGUALFC-UHFFFAOYSA-N 0 3 333.392 2.472 20 5 EEBDHN CCN(CC)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181416381 528113765 /nfs/dbraw/zinc/11/37/65/528113765.db2.gz ZFMYPQYFZCVVMZ-UHFFFAOYSA-N 0 3 335.451 2.204 20 5 EEBDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682798 528242933 /nfs/dbraw/zinc/24/29/33/528242933.db2.gz VNHMHJRPDLJEKI-XJKSGUPXSA-N 0 3 348.403 2.290 20 5 EEBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521152 576663125 /nfs/dbraw/zinc/66/31/25/576663125.db2.gz BPJGNGUBUZGGEQ-STQMWFEESA-N 0 3 334.420 2.478 20 5 EEBDHN CN(C)CCOc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000732004614 577141887 /nfs/dbraw/zinc/14/18/87/577141887.db2.gz NTVJIYBLBVIUON-UHFFFAOYSA-N 0 3 346.387 2.150 20 5 EEBDHN Cn1nccc1[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279121 577456702 /nfs/dbraw/zinc/45/67/02/577456702.db2.gz XHSMUGWAECVNDF-YOEHRIQHSA-N 0 3 330.388 2.241 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000776590476 577463670 /nfs/dbraw/zinc/46/36/70/577463670.db2.gz GPNSQXNJSASFLF-MSOLQXFVSA-N 0 3 328.368 2.052 20 5 EEBDHN CCCNC(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592737 577463680 /nfs/dbraw/zinc/46/36/80/577463680.db2.gz YIDZAGBLJUCGNF-MRXNPFEDSA-N 0 3 349.431 2.447 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735369 577485531 /nfs/dbraw/zinc/48/55/31/577485531.db2.gz JGCJEHLSMPLUDY-ROUUACIJSA-N 0 3 346.358 2.361 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000765424140 577500779 /nfs/dbraw/zinc/50/07/79/577500779.db2.gz BSDKRQDNEUYHAN-STQMWFEESA-N 0 3 341.408 2.160 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000768843902 577563896 /nfs/dbraw/zinc/56/38/96/577563896.db2.gz XWYGQUDGXOLIDA-WDEREUQCSA-N 0 3 347.462 2.150 20 5 EEBDHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1[O-] ZINC001021843377 676518017 /nfs/dbraw/zinc/51/80/17/676518017.db2.gz JNSUAAFDXGZUQD-OKILXGFUSA-N 0 3 341.367 2.351 20 5 EEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1CN(C)CCN1C ZINC000895247921 684384451 /nfs/dbraw/zinc/38/44/51/684384451.db2.gz KERLVWXXPVJWGR-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN Cc1nn(C)c2nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c12 ZINC000813113898 1201123380 /nfs/dbraw/zinc/12/33/80/1201123380.db2.gz KKGXYEPKRIEKHZ-SECBINFHSA-N 0 3 334.376 2.035 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cs1 ZINC001212971519 1216616125 /nfs/dbraw/zinc/61/61/25/1216616125.db2.gz XCTDJPXCNZADHU-UHFFFAOYSA-N 0 3 329.341 2.414 20 5 EEBDHN CC[C@@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641176 1234597863 /nfs/dbraw/zinc/59/78/63/1234597863.db2.gz MZYRFCFZYULRLC-SNVBAGLBSA-N 0 3 340.181 2.407 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097054131 1243633949 /nfs/dbraw/zinc/63/39/49/1243633949.db2.gz LVNVFUOAMWUEIZ-HDJSIYSDSA-N 0 3 334.420 2.304 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097230882 1243855150 /nfs/dbraw/zinc/85/51/50/1243855150.db2.gz CKZKEXDYTKJOCV-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627648 1278154452 /nfs/dbraw/zinc/15/44/52/1278154452.db2.gz FRWYDLZBVAWCOA-NSHDSACASA-N 0 3 328.372 2.056 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4CNCCO4)n3)nc12 ZINC001248352098 1310894580 /nfs/dbraw/zinc/89/45/80/1310894580.db2.gz IKUDVEGFPKDCJP-CQSZACIVSA-N 0 3 347.378 2.364 20 5 EEBDHN O=C1CCC[C@@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594580 1318138037 /nfs/dbraw/zinc/13/80/37/1318138037.db2.gz GEMHRGRNYAHOEP-WMZOPIPTSA-N 0 3 329.400 2.197 20 5 EEBDHN COCC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCC1 ZINC001162690052 1320931586 /nfs/dbraw/zinc/93/15/86/1320931586.db2.gz HPKRBSBTHIJOPH-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN C[C@H](CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831442 1349052851 /nfs/dbraw/zinc/05/28/51/1349052851.db2.gz YQOFVUZGAVVDAI-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H](CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831442 1349052856 /nfs/dbraw/zinc/05/28/56/1349052856.db2.gz YQOFVUZGAVVDAI-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1F ZINC001100576427 1367065944 /nfs/dbraw/zinc/06/59/44/1367065944.db2.gz BWVQZHHXRYONIO-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111828792 1371262449 /nfs/dbraw/zinc/26/24/49/1371262449.db2.gz AUSMKGVLXTYUFS-UHFFFAOYSA-N 0 3 343.387 2.320 20 5 EEBDHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092304 1371273846 /nfs/dbraw/zinc/27/38/46/1371273846.db2.gz UGULNNOYZWEEES-PXAZEXFGSA-N 0 3 332.356 2.172 20 5 EEBDHN O=C(Nc1cnc2c(c1)CNCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117959558 1371768524 /nfs/dbraw/zinc/76/85/24/1371768524.db2.gz JWJNBXIIGYBCIZ-UHFFFAOYSA-N 0 3 339.355 2.183 20 5 EEBDHN CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091350413 790345907 /nfs/dbraw/zinc/34/59/07/790345907.db2.gz REILMVJZOVYLIC-OKILXGFUSA-N 0 3 334.420 2.242 20 5 EEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC000893942219 780323435 /nfs/dbraw/zinc/32/34/35/780323435.db2.gz ZVSBRZTXKHJEHQ-SNVBAGLBSA-N 0 3 338.282 2.366 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000809769004 783340089 /nfs/dbraw/zinc/34/00/89/783340089.db2.gz ACBLROFBYKKVEI-NSHDSACASA-N 0 3 332.809 2.163 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000823305593 787664266 /nfs/dbraw/zinc/66/42/66/787664266.db2.gz KHFHSRSYTNXAJT-HNNXBMFYSA-N 0 3 335.404 2.260 20 5 EEBDHN CC([C@H](OC(=O)CCc1ccncn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875657 789972115 /nfs/dbraw/zinc/97/21/15/789972115.db2.gz AXXSQDGINMRLDB-ZBEGNZNMSA-N 0 3 333.319 2.498 20 5 EEBDHN CC([C@H](OC(=O)c1cnn2c1OCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884573 789974794 /nfs/dbraw/zinc/97/47/94/789974794.db2.gz ZXIBOVGALNUYCF-HZMBPMFUSA-N 0 3 349.318 2.368 20 5 EEBDHN CCOC(=O)CC1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172899747 797129131 /nfs/dbraw/zinc/12/91/31/797129131.db2.gz CECBXAVEWKSAAM-OAHLLOKOSA-N 0 3 348.399 2.154 20 5 EEBDHN CN(C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@H]1CCOC1 ZINC001172913786 797148282 /nfs/dbraw/zinc/14/82/82/797148282.db2.gz VBOVTWSWTAIVLC-WMZOPIPTSA-N 0 3 345.443 2.247 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001095241322 797577645 /nfs/dbraw/zinc/57/76/45/797577645.db2.gz BFPXBTBUFKLYEP-UHFFFAOYSA-N 0 3 349.435 2.123 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(N2CCCc3ccc(CN)nc32)c1 ZINC001169591380 803864740 /nfs/dbraw/zinc/86/47/40/803864740.db2.gz VSLZGXJSNFIXIE-UHFFFAOYSA-N 0 3 342.355 2.319 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCCCO)CC1 ZINC000787406488 807118900 /nfs/dbraw/zinc/11/89/00/807118900.db2.gz ODAJASLSVANGHK-DTQAZKPQSA-N 0 3 333.432 2.388 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170353428 809902083 /nfs/dbraw/zinc/90/20/83/809902083.db2.gz YAVBVBZZPCPUFT-LBPRGKRZSA-N 0 3 349.387 2.109 20 5 EEBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])ccc2Cl)CCNC1 ZINC001170515743 812045742 /nfs/dbraw/zinc/04/57/42/812045742.db2.gz NJNVCQMRHOUBSZ-UHFFFAOYSA-N 0 3 325.752 2.471 20 5 EEBDHN CC(COC(=O)c1cc2cc(Br)cnc2n1C)[N+](=O)[O-] ZINC001525758702 1120353113 /nfs/dbraw/zinc/35/31/13/1120353113.db2.gz ANDPWLKRMVZRDD-SSDOTTSWSA-N 0 3 342.149 2.158 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000426888673 241353098 /nfs/dbraw/zinc/35/30/98/241353098.db2.gz IZEKJVCLQPNHLN-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN CCN1CCN(CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074014 220239592 /nfs/dbraw/zinc/23/95/92/220239592.db2.gz NHOCWJOWGBGFJW-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521102 248343083 /nfs/dbraw/zinc/34/30/83/248343083.db2.gz CPNGUUVVCUEBIG-ABAIWWIYSA-N 0 3 338.795 2.499 20 5 EEBDHN COC(=O)CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000266523901 248344714 /nfs/dbraw/zinc/34/47/14/248344714.db2.gz JNSBSWBFRAEMDD-UHFFFAOYSA-N 0 3 340.376 2.256 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000186783206 533140422 /nfs/dbraw/zinc/14/04/22/533140422.db2.gz NANNISJBUABXIG-BXUZGUMPSA-N 0 3 334.376 2.161 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268140441 256118389 /nfs/dbraw/zinc/11/83/89/256118389.db2.gz KEKSSDATBGCSBG-ZWNOBZJWSA-N 0 3 334.376 2.061 20 5 EEBDHN C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272876996 256245670 /nfs/dbraw/zinc/24/56/70/256245670.db2.gz XMSKHSSIXHGKAG-CYBMUJFWSA-N 0 3 332.404 2.087 20 5 EEBDHN CCOc1cccc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000273872891 256334277 /nfs/dbraw/zinc/33/42/77/256334277.db2.gz OYDOTWVCTRHZNE-GXTWGEPZSA-N 0 3 325.434 2.475 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000068132025 159015883 /nfs/dbraw/zinc/01/58/83/159015883.db2.gz YOOOJLQQXTWTEA-OAHLLOKOSA-N 0 3 346.431 2.484 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087057039 159171526 /nfs/dbraw/zinc/17/15/26/159171526.db2.gz ZDWPNYWLMJQWKL-AWEZNQCLSA-N 0 3 346.431 2.394 20 5 EEBDHN NC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000178156146 159894917 /nfs/dbraw/zinc/89/49/17/159894917.db2.gz AWPGFBGEYLTABT-UHFFFAOYSA-N 0 3 333.388 2.236 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000245393480 160231090 /nfs/dbraw/zinc/23/10/90/160231090.db2.gz DAHQWHLJYLVXQQ-XJKSGUPXSA-N 0 3 332.404 2.092 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245901458 160256767 /nfs/dbraw/zinc/25/67/67/160256767.db2.gz DRXDLWFXIFABQO-DOTOQJQBSA-N 0 3 346.431 2.263 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccn1 ZINC000345314676 161291220 /nfs/dbraw/zinc/29/12/20/161291220.db2.gz NCYZEAYOSNSGRW-UHFFFAOYSA-N 0 3 348.334 2.322 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000345371990 161296248 /nfs/dbraw/zinc/29/62/48/161296248.db2.gz CRDKLHSRISXKJK-DZGCQCFKSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000346316934 161362586 /nfs/dbraw/zinc/36/25/86/161362586.db2.gz IHWRBOKUQWPBAQ-SFHVURJKSA-N 0 3 347.415 2.226 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000352584478 162199763 /nfs/dbraw/zinc/19/97/63/162199763.db2.gz UEUJDFQLOPSAGL-NSHDSACASA-N 0 3 331.376 2.177 20 5 EEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccccc1)N(C)C ZINC000356254662 163381475 /nfs/dbraw/zinc/38/14/75/163381475.db2.gz PLKGJZGQRDSJCP-MLGOLLRUSA-N 0 3 330.388 2.355 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](n3ncc4ccccc43)C2)n1 ZINC000367983518 166031442 /nfs/dbraw/zinc/03/14/42/166031442.db2.gz POHSYFRGYKGHML-CQSZACIVSA-N 0 3 326.360 2.088 20 5 EEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274559189 269039475 /nfs/dbraw/zinc/03/94/75/269039475.db2.gz YXOLNTZXOFTOFT-LBPRGKRZSA-N 0 3 336.348 2.106 20 5 EEBDHN C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCCC1 ZINC000277537881 269160962 /nfs/dbraw/zinc/16/09/62/269160962.db2.gz AYXATUDQBCIXBM-LBPRGKRZSA-N 0 3 345.403 2.352 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000371349668 274364680 /nfs/dbraw/zinc/36/46/80/274364680.db2.gz LCLUPJQNMGKYAP-CZUORRHYSA-N 0 3 336.411 2.196 20 5 EEBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289591219 275130590 /nfs/dbraw/zinc/13/05/90/275130590.db2.gz QWBUJPGWMPJVCC-CYBMUJFWSA-N 0 3 341.795 2.327 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000291607342 275322275 /nfs/dbraw/zinc/32/22/75/275322275.db2.gz CDLLIUXMVLZPJN-GOSISDBHSA-N 0 3 344.415 2.109 20 5 EEBDHN O=C(CN1CCC[C@@H]1CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000069078720 279768340 /nfs/dbraw/zinc/76/83/40/279768340.db2.gz QXYZBOJZRZBXEU-OAHLLOKOSA-N 0 3 346.431 2.484 20 5 EEBDHN CC1CCN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000176388710 281838403 /nfs/dbraw/zinc/83/84/03/281838403.db2.gz CARXWXSMLVRYNV-UHFFFAOYSA-N 0 3 348.447 2.465 20 5 EEBDHN CNC(=O)[C@@H](CCSC)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475968 290537169 /nfs/dbraw/zinc/53/71/69/290537169.db2.gz FVZKMSQKUNEWTC-GXTWGEPZSA-N 0 3 339.461 2.373 20 5 EEBDHN Cc1ccc2c(c1)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000293523837 293229651 /nfs/dbraw/zinc/22/96/51/293229651.db2.gz WIWKJRPSMNOTBJ-KRWDZBQOSA-N 0 3 344.415 2.298 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3O)c1 ZINC000296726130 294050862 /nfs/dbraw/zinc/05/08/62/294050862.db2.gz NSYWZULWNGFFJJ-CXAGYDPISA-N 0 3 344.367 2.317 20 5 EEBDHN Cn1ccnc1[C@H]1CNCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261852015 303010085 /nfs/dbraw/zinc/01/00/85/303010085.db2.gz YDFZOTIXKZPBHP-CQSZACIVSA-N 0 3 335.795 2.128 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000170949976 311398770 /nfs/dbraw/zinc/39/87/70/311398770.db2.gz GEBGJTLCMKCBOU-UHFFFAOYSA-N 0 3 334.401 2.255 20 5 EEBDHN CC[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414519904 313036139 /nfs/dbraw/zinc/03/61/39/313036139.db2.gz CRLDIXJFNYKYJJ-BLLLJJGKSA-N 0 3 326.393 2.497 20 5 EEBDHN CCN1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448825696 315388202 /nfs/dbraw/zinc/38/82/02/315388202.db2.gz XFIBRAHRGUJGEA-AWEZNQCLSA-N 0 3 347.415 2.406 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536628051 318005312 /nfs/dbraw/zinc/00/53/12/318005312.db2.gz WZEHZSPZDSIFLM-UONOGXRCSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1ccc(CC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000537590134 318021038 /nfs/dbraw/zinc/02/10/38/318021038.db2.gz FFJJSIXGYMPWEV-CYBMUJFWSA-N 0 3 349.431 2.335 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000564280568 319075229 /nfs/dbraw/zinc/07/52/29/319075229.db2.gz HYHPZAVWCBSLAW-DUVNUKRYSA-N 0 3 332.404 2.090 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565481847 319186593 /nfs/dbraw/zinc/18/65/93/319186593.db2.gz IAURUDRTXOBHCN-UONOGXRCSA-N 0 3 346.431 2.020 20 5 EEBDHN CC(C)Oc1cc(C(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000574380917 320019798 /nfs/dbraw/zinc/01/97/98/320019798.db2.gz KOTAGHDEGXZFKW-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN N[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000577630637 320267421 /nfs/dbraw/zinc/26/74/21/320267421.db2.gz QZSUGVIPIQGZHL-HNNXBMFYSA-N 0 3 343.387 2.045 20 5 EEBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181663677 323352084 /nfs/dbraw/zinc/35/20/84/323352084.db2.gz YJOJBPSILNGLIZ-SNVBAGLBSA-N 0 3 343.330 2.268 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032833 465057549 /nfs/dbraw/zinc/05/75/49/465057549.db2.gz ZUVRIFKRBFPZEM-CJNGLKHVSA-N 0 3 347.415 2.356 20 5 EEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354624233 465060462 /nfs/dbraw/zinc/06/04/62/465060462.db2.gz NZMLITBGNIWISM-CYBMUJFWSA-N 0 3 334.420 2.417 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)C2CCOCC2)c1 ZINC000339081549 465072567 /nfs/dbraw/zinc/07/25/67/465072567.db2.gz KHIOASFYXKAVKD-AWEZNQCLSA-N 0 3 348.321 2.491 20 5 EEBDHN CO[C@@]1(C)C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419848 465188170 /nfs/dbraw/zinc/18/81/70/465188170.db2.gz VMVCSKRGLDXCPR-YJBOKZPZSA-N 0 3 347.415 2.277 20 5 EEBDHN COC(=O)CC1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000347814470 465243983 /nfs/dbraw/zinc/24/39/83/465243983.db2.gz RAOOBRAQVRSYRF-XQRVVYSFSA-N 0 3 334.372 2.310 20 5 EEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127516297 462560052 /nfs/dbraw/zinc/56/00/52/462560052.db2.gz YVRWNHPCYMBTOJ-MNOVXSKESA-N 0 3 331.376 2.026 20 5 EEBDHN CC1CCN(C[C@H](O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153744824 462686515 /nfs/dbraw/zinc/68/65/15/462686515.db2.gz SEPFPDPXYWEJHT-GFCCVEGCSA-N 0 3 328.800 2.148 20 5 EEBDHN CN(CC1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000155835597 462949480 /nfs/dbraw/zinc/94/94/80/462949480.db2.gz RFCGXXNVGQYGBR-INIZCTEOSA-N 0 3 333.388 2.059 20 5 EEBDHN O=c1[nH]cnc2cc(N3CC[C@H](N4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000521672051 468327906 /nfs/dbraw/zinc/32/79/06/468327906.db2.gz OKVSZAUSNOTOLY-LBPRGKRZSA-N 0 3 343.387 2.308 20 5 EEBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000178721866 463952417 /nfs/dbraw/zinc/95/24/17/463952417.db2.gz QGCHZJUJKUQEQQ-HXUWFJFHSA-N 0 3 337.423 2.430 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000287772175 463995942 /nfs/dbraw/zinc/99/59/42/463995942.db2.gz IAGWAHGMIXCDOB-WDEREUQCSA-N 0 3 334.376 2.122 20 5 EEBDHN COCCO[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179344391 464111332 /nfs/dbraw/zinc/11/13/32/464111332.db2.gz XNOWJTSBOQHVBP-KRWDZBQOSA-N 0 3 338.404 2.491 20 5 EEBDHN Cc1cc(OCC(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280696021 464233737 /nfs/dbraw/zinc/23/37/37/464233737.db2.gz ZYSNNIGDXAVBRX-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264647313 464408028 /nfs/dbraw/zinc/40/80/28/464408028.db2.gz WJLFBXGKMNNJNJ-WMLDXEAASA-N 0 3 346.431 2.482 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000264693630 464426414 /nfs/dbraw/zinc/42/64/14/464426414.db2.gz ZSVYTLJMFDUMRH-UHFFFAOYSA-N 0 3 326.828 2.322 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC2(O)CCOCC2)o1 ZINC000238144925 464435836 /nfs/dbraw/zinc/43/58/36/464435836.db2.gz FZKFVINUKGJWQD-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174703415 464438639 /nfs/dbraw/zinc/43/86/39/464438639.db2.gz IVMDIJCMKIQPEW-MFKMUULPSA-N 0 3 340.330 2.123 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281747413 464570461 /nfs/dbraw/zinc/57/04/61/464570461.db2.gz IVBWKUKECPURMC-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN CCO[C@H]1C[C@@](CO)(NCCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013693 464586800 /nfs/dbraw/zinc/58/68/00/464586800.db2.gz ORFOBWPFFFMVPS-RDJZCZTQSA-N 0 3 338.404 2.129 20 5 EEBDHN Cn1ccnc1[C@H](NC[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518827 464642279 /nfs/dbraw/zinc/64/22/79/464642279.db2.gz KSLCREBYPZMVFP-HZPDHXFCSA-N 0 3 329.404 2.102 20 5 EEBDHN CC(=O)Nc1cccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000182526245 464675112 /nfs/dbraw/zinc/67/51/12/464675112.db2.gz UJUQABVOYJUPOG-LBPRGKRZSA-N 0 3 344.371 2.066 20 5 EEBDHN COCCN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265840613 464705136 /nfs/dbraw/zinc/70/51/36/464705136.db2.gz VNTROSBLIDPAQS-UHFFFAOYSA-N 0 3 349.431 2.099 20 5 EEBDHN CN(C)C(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295112960 464710157 /nfs/dbraw/zinc/71/01/57/464710157.db2.gz ISWHDQHHJJYORA-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000176698849 464827986 /nfs/dbraw/zinc/82/79/86/464827986.db2.gz MMSKLVXFVJQZIY-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249789770 464917194 /nfs/dbraw/zinc/91/71/94/464917194.db2.gz FAXMJFOJDNLEIS-MLGOLLRUSA-N 0 3 330.388 2.198 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908672 464998300 /nfs/dbraw/zinc/99/83/00/464998300.db2.gz YKSPRMOYAHWJRT-DYVFJYSZSA-N 0 3 346.431 2.261 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934790 465399210 /nfs/dbraw/zinc/39/92/10/465399210.db2.gz OAGIZOWNWPYDAU-QMTHXVAHSA-N 0 3 328.372 2.289 20 5 EEBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000371253584 465669331 /nfs/dbraw/zinc/66/93/31/465669331.db2.gz LTROWJFCXGLQKM-PIIMJCKOSA-N 0 3 337.379 2.455 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000330919149 465859942 /nfs/dbraw/zinc/85/99/42/465859942.db2.gz YCRXKKKRJIVVQG-PWSUYJOCSA-N 0 3 325.796 2.390 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000366801659 465943686 /nfs/dbraw/zinc/94/36/86/465943686.db2.gz FBXKSIDSAXDEDN-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN CC(C)CN1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357459605 466053590 /nfs/dbraw/zinc/05/35/90/466053590.db2.gz PAPWFJWOWBYLPY-GFCCVEGCSA-N 0 3 335.408 2.011 20 5 EEBDHN COC(=O)c1cnc(N[C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761149 466179879 /nfs/dbraw/zinc/17/98/79/466179879.db2.gz KFZHVJPRMCWGLE-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN CS[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1N(C)C ZINC000340742137 466304165 /nfs/dbraw/zinc/30/41/65/466304165.db2.gz KHNMKIRQIJZANY-CHWSQXEVSA-N 0 3 349.416 2.127 20 5 EEBDHN COc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332097560 466386810 /nfs/dbraw/zinc/38/68/10/466386810.db2.gz XSUSTGKLRWHZQK-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN CCN1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000354421768 466555000 /nfs/dbraw/zinc/55/50/00/466555000.db2.gz GXYQHUBJRKZAJC-RYUDHWBXSA-N 0 3 345.403 2.416 20 5 EEBDHN CN(CC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000347324118 466565449 /nfs/dbraw/zinc/56/54/49/466565449.db2.gz SRHZTAYTXRVGAB-HNNXBMFYSA-N 0 3 346.431 2.164 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000341082812 466568882 /nfs/dbraw/zinc/56/88/82/466568882.db2.gz AEPFHBFTDYRJKC-MRXNPFEDSA-N 0 3 332.404 2.365 20 5 EEBDHN C[C@@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375697383 466865330 /nfs/dbraw/zinc/86/53/30/466865330.db2.gz LIGFULQEYDLQCM-GFCCVEGCSA-N 0 3 333.388 2.471 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000373738204 466906128 /nfs/dbraw/zinc/90/61/28/466906128.db2.gz VVHGMJPFVBMJQU-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](CN)C1CC1 ZINC000423945220 466923345 /nfs/dbraw/zinc/92/33/45/466923345.db2.gz IDOAKOJTERPXOI-IBGZPJMESA-N 0 3 349.434 2.350 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@H](C)C1 ZINC000413253571 467197032 /nfs/dbraw/zinc/19/70/32/467197032.db2.gz VLMCGCFFNALLLW-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428718864 467261907 /nfs/dbraw/zinc/26/19/07/467261907.db2.gz NYSWTIROMMZDQL-XJKSGUPXSA-N 0 3 335.379 2.219 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCCN1CCCCCC1 ZINC000431483489 467520107 /nfs/dbraw/zinc/52/01/07/467520107.db2.gz NWRAZXALDKSVIF-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN COc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449503507 467653587 /nfs/dbraw/zinc/65/35/87/467653587.db2.gz IEKOEFSHRKFBTF-SUMWQHHRSA-N 0 3 336.388 2.196 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000449558510 467661519 /nfs/dbraw/zinc/66/15/19/467661519.db2.gz WLLPUTFPXJUNIT-XNJGSVPQSA-N 0 3 348.399 2.444 20 5 EEBDHN Cn1nccc1[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585489 467666684 /nfs/dbraw/zinc/66/66/84/467666684.db2.gz FERCIIRHCYHWCB-BLLLJJGKSA-N 0 3 334.351 2.477 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486925055 468013101 /nfs/dbraw/zinc/01/31/01/468013101.db2.gz FEWIKJZYSNKGFY-LBPRGKRZSA-N 0 3 331.376 2.423 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000594629023 468639682 /nfs/dbraw/zinc/63/96/82/468639682.db2.gz WPZMKTLALIURRN-UHFFFAOYSA-N 0 3 333.388 2.108 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000558259780 468670843 /nfs/dbraw/zinc/67/08/43/468670843.db2.gz XFMBCNPOQMFFEW-OLZOCXBDSA-N 0 3 326.418 2.379 20 5 EEBDHN COc1ccc(CNCC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994124 468740254 /nfs/dbraw/zinc/74/02/54/468740254.db2.gz CBLXBQNUDZBJOE-QGZVFWFLSA-N 0 3 338.404 2.261 20 5 EEBDHN CC[C@H]1CN(C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000601188215 468775236 /nfs/dbraw/zinc/77/52/36/468775236.db2.gz DPOFIUHCIBCZNU-LBPRGKRZSA-N 0 3 336.392 2.005 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000598262505 468810223 /nfs/dbraw/zinc/81/02/23/468810223.db2.gz LQEBKHJNAMDVRF-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CC(C)O[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053755 468853411 /nfs/dbraw/zinc/85/34/11/468853411.db2.gz LPPLDVXIYYJFAS-GJZGRUSLSA-N 0 3 338.404 2.224 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598590863 468925602 /nfs/dbraw/zinc/92/56/02/468925602.db2.gz RJVGHRCURZIPEB-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H]1CN(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635449 468979127 /nfs/dbraw/zinc/97/91/27/468979127.db2.gz YVPCPWLDIPVGJN-ZDUSSCGKSA-N 0 3 348.403 2.327 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000610719180 469049717 /nfs/dbraw/zinc/04/97/17/469049717.db2.gz KEBPKLUZTHOKOY-CQSZACIVSA-N 0 3 349.435 2.180 20 5 EEBDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593673197 469088614 /nfs/dbraw/zinc/08/86/14/469088614.db2.gz BHFWTDKTKMDHAH-CHWSQXEVSA-N 0 3 332.356 2.436 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596078826 469145030 /nfs/dbraw/zinc/14/50/30/469145030.db2.gz UPDWAINPRMRKPQ-AWEZNQCLSA-N 0 3 336.436 2.350 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCC3(CCOC3)CC2)c2c(c1)COCO2 ZINC000611177542 469183044 /nfs/dbraw/zinc/18/30/44/469183044.db2.gz GVMSEXIJMIJNRP-UHFFFAOYSA-N 0 3 334.372 2.464 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000604474999 469481022 /nfs/dbraw/zinc/48/10/22/469481022.db2.gz SFYPCMWELQJKHN-GOSISDBHSA-N 0 3 349.431 2.160 20 5 EEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264416 469562943 /nfs/dbraw/zinc/56/29/43/469562943.db2.gz DQCILIBJQMBQPJ-AWEZNQCLSA-N 0 3 327.388 2.498 20 5 EEBDHN COc1ccc(OCCN[C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610369443 470008668 /nfs/dbraw/zinc/00/86/68/470008668.db2.gz OBHVTKBBNXHISY-SFHVURJKSA-N 0 3 346.383 2.480 20 5 EEBDHN Cc1ccc(NC(=O)CCNCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000591735635 485594865 /nfs/dbraw/zinc/59/48/65/485594865.db2.gz ZWIOSWUMPDCPCT-UHFFFAOYSA-N 0 3 344.371 2.295 20 5 EEBDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534436 528207945 /nfs/dbraw/zinc/20/79/45/528207945.db2.gz PYIVDVCFAQSLJT-XJKSGUPXSA-N 0 3 348.403 2.290 20 5 EEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2c(c1)OCO2 ZINC000159740248 528612805 /nfs/dbraw/zinc/61/28/05/528612805.db2.gz ZFHXCHYAAVDILO-UHFFFAOYSA-N 0 3 345.355 2.007 20 5 EEBDHN CCC[C@@H](NCCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178671804 529006768 /nfs/dbraw/zinc/00/67/68/529006768.db2.gz DFIAMMCYXHTTEZ-QGZVFWFLSA-N 0 3 348.447 2.190 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491532557 535857729 /nfs/dbraw/zinc/85/77/29/535857729.db2.gz LNDXDIKAWOFPJV-SCOAYWHSSA-N 0 3 347.415 2.177 20 5 EEBDHN CC(C)[C@@H](C)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726587123 576278471 /nfs/dbraw/zinc/27/84/71/576278471.db2.gz VFDDPRPYZHTYIF-GFCCVEGCSA-N 0 3 334.376 2.297 20 5 EEBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521148 576663058 /nfs/dbraw/zinc/66/30/58/576663058.db2.gz BPJGNGUBUZGGEQ-OLZOCXBDSA-N 0 3 334.420 2.478 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000733165316 577206112 /nfs/dbraw/zinc/20/61/12/577206112.db2.gz BQIYKNCMPOAZFA-AWEZNQCLSA-N 0 3 325.434 2.389 20 5 EEBDHN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000771780008 577229516 /nfs/dbraw/zinc/22/95/16/577229516.db2.gz IMOQLCPNZNIYCT-LBPRGKRZSA-N 0 3 347.371 2.440 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000773195984 577322170 /nfs/dbraw/zinc/32/21/70/577322170.db2.gz ZJJALALQFXPGTP-LBPRGKRZSA-N 0 3 332.404 2.383 20 5 EEBDHN COC(=O)C[C@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682048 577601643 /nfs/dbraw/zinc/60/16/43/577601643.db2.gz YPQLEOFMCDOHLT-BBOMDTFKSA-N 0 3 334.372 2.310 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000759696287 577647971 /nfs/dbraw/zinc/64/79/71/577647971.db2.gz GIQMKPNMDZYQOR-TXEJJXNPSA-N 0 3 349.391 2.432 20 5 EEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000760579779 577666203 /nfs/dbraw/zinc/66/62/03/577666203.db2.gz MJKNOFBIZXRZHI-UHFFFAOYSA-N 0 3 330.388 2.161 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCc1ccccc1)C1CC1 ZINC000761653958 577687185 /nfs/dbraw/zinc/68/71/85/577687185.db2.gz DDIYSHKZITYALZ-UHFFFAOYSA-N 0 3 327.384 2.464 20 5 EEBDHN CN1CCC(NC(=S)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756787483 577850240 /nfs/dbraw/zinc/85/02/40/577850240.db2.gz FGZFYCMKQBSBJI-UHFFFAOYSA-N 0 3 342.852 2.307 20 5 EEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCN1C ZINC000742413109 577872663 /nfs/dbraw/zinc/87/26/63/577872663.db2.gz ZWCHZQZIYAXUEH-AAEUAGOBSA-N 0 3 332.404 2.382 20 5 EEBDHN CN(C)C(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749662485 577979511 /nfs/dbraw/zinc/97/95/11/577979511.db2.gz MAXYUSQWDCJZRC-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN COc1ccc(OC)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670737 577979606 /nfs/dbraw/zinc/97/96/06/577979606.db2.gz LGGUTEVNDCUCGT-MRXNPFEDSA-N 0 3 332.356 2.435 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108459435 682741260 /nfs/dbraw/zinc/74/12/60/682741260.db2.gz LJTJAJYCGVTZAG-CYBMUJFWSA-N 0 3 348.359 2.026 20 5 EEBDHN COCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001128837742 1195807979 /nfs/dbraw/zinc/80/79/79/1195807979.db2.gz PAOFNGZAYIVAMI-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN Cc1c(C(=O)NC[C@H]2Cc3ccccc3CN2)cccc1[N+](=O)[O-] ZINC000877345994 1199909363 /nfs/dbraw/zinc/90/93/63/1199909363.db2.gz FMFCJLBFQGMRPJ-OAHLLOKOSA-N 0 3 325.368 2.348 20 5 EEBDHN Cc1cccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001133182553 1200558869 /nfs/dbraw/zinc/55/88/69/1200558869.db2.gz FQNLSLBZKMZRPO-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN CC(COC(=O)c1ccc(-n2cnc3ccccc32)nc1)[N+](=O)[O-] ZINC000813114574 1201124829 /nfs/dbraw/zinc/12/48/29/1201124829.db2.gz DACZAQAOOYIRDX-LLVKDONJSA-N 0 3 326.312 2.243 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095606641 1205889551 /nfs/dbraw/zinc/88/95/51/1205889551.db2.gz WZHWGAKTMOSPFM-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924899432 1206048216 /nfs/dbraw/zinc/04/82/16/1206048216.db2.gz FKKFDZBWNUPNOS-SWLSCSKDSA-N 0 3 346.387 2.062 20 5 EEBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000925196372 1206082275 /nfs/dbraw/zinc/08/22/75/1206082275.db2.gz FKKFDZBWNUPNOS-IUODEOHRSA-N 0 3 346.387 2.062 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000078231728 1210118073 /nfs/dbraw/zinc/11/80/73/1210118073.db2.gz CFFCAGFLMFPEAR-LLVKDONJSA-N 0 3 336.348 2.026 20 5 EEBDHN CC(C)c1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)on1 ZINC001134754539 1278018640 /nfs/dbraw/zinc/01/86/40/1278018640.db2.gz RZYIIWMPTJUGAZ-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CC(C)N(C)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103432124 1302952297 /nfs/dbraw/zinc/95/22/97/1302952297.db2.gz RUACFLSRRXKBCB-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000842802395 1315776665 /nfs/dbraw/zinc/77/66/65/1315776665.db2.gz XSQLETYTSSVBEM-VXGBXAGGSA-N 0 3 330.381 2.232 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001149630428 1316001589 /nfs/dbraw/zinc/00/15/89/1316001589.db2.gz WRLIWLJGEODXFZ-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1scnc1Cl ZINC001151213490 1316477792 /nfs/dbraw/zinc/47/77/92/1316477792.db2.gz OGRJLRJMNAVISD-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN COCC1(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001157814562 1318880593 /nfs/dbraw/zinc/88/05/93/1318880593.db2.gz NFYIYNZXUXEVDD-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CN1Cc2cc(N[C@H]3CCCC[C@@]34CNCCO4)cc([N+](=O)[O-])c2N1 ZINC001163653944 1321182314 /nfs/dbraw/zinc/18/23/14/1321182314.db2.gz TXZNEIZIFCQWEF-DOTOQJQBSA-N 0 3 347.419 2.080 20 5 EEBDHN Cc1ncccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165451277 1321528501 /nfs/dbraw/zinc/52/85/01/1321528501.db2.gz UGCCGUVTFCULDF-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](F)C2)cc1 ZINC001336841704 1336603819 /nfs/dbraw/zinc/60/38/19/1336603819.db2.gz XZQLHAZZKKBDIS-NEPJUHHUSA-N 0 3 330.381 2.239 20 5 EEBDHN CC1(C)CCN(CCNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001337744288 1336732801 /nfs/dbraw/zinc/73/28/01/1336732801.db2.gz ZNODXFLWZUZXKF-UHFFFAOYSA-N 0 3 327.331 2.335 20 5 EEBDHN C[N@@H+]1CCCC[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591187692 1349447002 /nfs/dbraw/zinc/44/70/02/1349447002.db2.gz WTWJZPIRJYCVBT-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCCC[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591187692 1349447006 /nfs/dbraw/zinc/44/70/06/1349447006.db2.gz WTWJZPIRJYCVBT-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@@H+]1CCCC[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591187692 1349447009 /nfs/dbraw/zinc/44/70/09/1349447009.db2.gz WTWJZPIRJYCVBT-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCCC[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591187692 1349447010 /nfs/dbraw/zinc/44/70/10/1349447010.db2.gz WTWJZPIRJYCVBT-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001607084440 1351410784 /nfs/dbraw/zinc/41/07/84/1351410784.db2.gz GFSBGCCXWWQGKF-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001607084440 1351410787 /nfs/dbraw/zinc/41/07/87/1351410787.db2.gz GFSBGCCXWWQGKF-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881372 1403614424 /nfs/dbraw/zinc/61/44/24/1403614424.db2.gz UDSPJIYNQLPVEO-DCAQKATOSA-N 0 3 327.331 2.284 20 5 EEBDHN CN(C)C1(C(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CCC1 ZINC001107379904 787070928 /nfs/dbraw/zinc/07/09/28/787070928.db2.gz OSCVKDOVDLTMAJ-WAYWQWQTSA-N 0 3 332.404 2.163 20 5 EEBDHN CC([C@H](OC(=O)CN1CCSC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872502 789971474 /nfs/dbraw/zinc/97/14/74/789971474.db2.gz IOOWMSDBNBNSOL-RNCFNFMXSA-N 0 3 342.348 2.244 20 5 EEBDHN CC(C)(C)c1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001127172073 790251702 /nfs/dbraw/zinc/25/17/02/790251702.db2.gz BWHVHENCZKEOSW-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc3c2CNCC3)c1F ZINC001173179335 797278702 /nfs/dbraw/zinc/27/87/02/797278702.db2.gz DQTQGHAUEPRMDP-SNVBAGLBSA-N 0 3 334.351 2.388 20 5 EEBDHN COc1ccc(C[C@@H](C)NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170295209 809869287 /nfs/dbraw/zinc/86/92/87/809869287.db2.gz BARILHNEMRCILU-GFCCVEGCSA-N 0 3 335.404 2.183 20 5 EEBDHN COC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330105 809895088 /nfs/dbraw/zinc/89/50/88/809895088.db2.gz YTAZASARYLFJAN-TZMCWYRMSA-N 0 3 336.388 2.419 20 5 EEBDHN Cc1cncc(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131295864 812621070 /nfs/dbraw/zinc/62/10/70/812621070.db2.gz CNYVFOOEWHUWFT-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174450965 231210088 /nfs/dbraw/zinc/21/00/88/231210088.db2.gz CCVIZPXGCNWKTJ-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000174255289 529831769 /nfs/dbraw/zinc/83/17/69/529831769.db2.gz NOIFKSHMVRKYFL-GOEBONIOSA-N 0 3 332.404 2.015 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129672386 529865326 /nfs/dbraw/zinc/86/53/26/529865326.db2.gz YJKKOZUJVLGMSU-UHFFFAOYSA-N 0 3 344.415 2.419 20 5 EEBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129515893 223063829 /nfs/dbraw/zinc/06/38/29/223063829.db2.gz SIZRBFXYPGPSJW-ZDUSSCGKSA-N 0 3 349.412 2.224 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)cc1C ZINC000193703134 240270605 /nfs/dbraw/zinc/27/06/05/240270605.db2.gz RYADFLZCMHPHAU-UHFFFAOYSA-N 0 3 343.449 2.078 20 5 EEBDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000229349969 242156215 /nfs/dbraw/zinc/15/62/15/242156215.db2.gz RMDHBJIHDZTSGC-KGLIPLIRSA-N 0 3 336.417 2.359 20 5 EEBDHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451600444 243172235 /nfs/dbraw/zinc/17/22/35/243172235.db2.gz RTFSPUOTAGQHBI-GOEBONIOSA-N 0 3 337.420 2.072 20 5 EEBDHN C[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000455673583 244056990 /nfs/dbraw/zinc/05/69/90/244056990.db2.gz YIHAQVPZUSVFIR-LBPRGKRZSA-N 0 3 346.391 2.236 20 5 EEBDHN CNc1nc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455778684 244077964 /nfs/dbraw/zinc/07/79/64/244077964.db2.gz WBVPZOMZTUOIBU-CYBMUJFWSA-N 0 3 347.419 2.026 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491829120 246170710 /nfs/dbraw/zinc/17/07/10/246170710.db2.gz XTOSREBWMRISNU-YVMONPNESA-N 0 3 347.415 2.177 20 5 EEBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265020582 247140458 /nfs/dbraw/zinc/14/04/58/247140458.db2.gz DXJFFOBREUTVID-JTQLQIEISA-N 0 3 337.767 2.062 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000265094662 247196426 /nfs/dbraw/zinc/19/64/26/247196426.db2.gz VEWZUXVANUAQLX-GFCCVEGCSA-N 0 3 337.424 2.265 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCSC1 ZINC000267379329 256053881 /nfs/dbraw/zinc/05/38/81/256053881.db2.gz YZSAAEAQUZPWHQ-MRXNPFEDSA-N 0 3 348.428 2.243 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118826752 221190624 /nfs/dbraw/zinc/19/06/24/221190624.db2.gz HODZBNLMWYJJPE-UHFFFAOYSA-N 0 3 340.811 2.214 20 5 EEBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146815 256212786 /nfs/dbraw/zinc/21/27/86/256212786.db2.gz RTWWLQAKDSMVHR-GOEBONIOSA-N 0 3 349.431 2.266 20 5 EEBDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559564 292219330 /nfs/dbraw/zinc/21/93/30/292219330.db2.gz FPHGMLAWTUURQA-GJZGRUSLSA-N 0 3 337.420 2.282 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173320744 152159276 /nfs/dbraw/zinc/15/92/76/152159276.db2.gz WVCSDADFMHVNLI-AWEZNQCLSA-N 0 3 334.420 2.022 20 5 EEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312061 154046414 /nfs/dbraw/zinc/04/64/14/154046414.db2.gz QLWAULYKNQNAOV-HOCLYGCPSA-N 0 3 348.447 2.066 20 5 EEBDHN CNC(=O)[C@@H](C)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000081527690 159154697 /nfs/dbraw/zinc/15/46/97/159154697.db2.gz UOKUTSQYUZNWKG-LBPRGKRZSA-N 0 3 346.387 2.106 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245901466 160256770 /nfs/dbraw/zinc/25/67/70/160256770.db2.gz DRXDLWFXIFABQO-RDJZCZTQSA-N 0 3 346.431 2.263 20 5 EEBDHN CN1CCN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000343322847 161124507 /nfs/dbraw/zinc/12/45/07/161124507.db2.gz RDRNGRMOPBLANE-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CCCN1CCC[C@@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000343934992 161182175 /nfs/dbraw/zinc/18/21/75/161182175.db2.gz WFOOZPZSHQJFAP-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(F)(F)F ZINC000344844817 161250562 /nfs/dbraw/zinc/25/05/62/161250562.db2.gz CNHKHDGSRPHKBZ-BJMVGYQFSA-N 0 3 331.294 2.266 20 5 EEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN2CCC[C@@H]2C1 ZINC000344946637 161258306 /nfs/dbraw/zinc/25/83/06/161258306.db2.gz XGOSWMOEWZLBPM-NWDGAFQWSA-N 0 3 339.417 2.037 20 5 EEBDHN CC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181695106 286912608 /nfs/dbraw/zinc/91/26/08/286912608.db2.gz SNGCLXMOECJLJB-HUUCEWRRSA-N 0 3 341.433 2.060 20 5 EEBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352709888 162253715 /nfs/dbraw/zinc/25/37/15/162253715.db2.gz OKITWJFBGFSNDH-ZDUSSCGKSA-N 0 3 341.795 2.327 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000355342064 163153070 /nfs/dbraw/zinc/15/30/70/163153070.db2.gz PBFVIMAZBLKUIJ-QGZVFWFLSA-N 0 3 341.367 2.414 20 5 EEBDHN Cc1c(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000359266431 164098540 /nfs/dbraw/zinc/09/85/40/164098540.db2.gz DXPHOMKETDPUTB-CYBMUJFWSA-N 0 3 332.404 2.353 20 5 EEBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368700454 166111318 /nfs/dbraw/zinc/11/13/18/166111318.db2.gz TVCKYMAATRVBFO-INIZCTEOSA-N 0 3 343.431 2.425 20 5 EEBDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000374932022 167070604 /nfs/dbraw/zinc/07/06/04/167070604.db2.gz UXKVZZSZHVWQBF-UHFFFAOYSA-N 0 3 332.448 2.449 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375903642 167222637 /nfs/dbraw/zinc/22/26/37/167222637.db2.gz IMISSMUPNKPMHD-SFHVURJKSA-N 0 3 332.448 2.195 20 5 EEBDHN C[C@@H](CSC(C)(C)C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448332 222279384 /nfs/dbraw/zinc/27/93/84/222279384.db2.gz NROZEUHEKJURGE-NILFDRSVSA-N 0 3 342.461 2.499 20 5 EEBDHN C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1[C@H](C)CC[C@@H]1C ZINC000277551098 269161729 /nfs/dbraw/zinc/16/17/29/269161729.db2.gz CFIDYBOERULLKJ-TUAOUCFPSA-N 0 3 345.403 2.349 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)C(F)(F)F ZINC000271540372 274140942 /nfs/dbraw/zinc/14/09/42/274140942.db2.gz QUVGSKIMHBIXBD-NOZJJQNGSA-N 0 3 349.309 2.215 20 5 EEBDHN Cn1ccnc1[C@@H](NCC1=CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557566 274175527 /nfs/dbraw/zinc/17/55/27/274175527.db2.gz SNGNJTQQYDCDIN-KRWDZBQOSA-N 0 3 341.415 2.269 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842829 274219125 /nfs/dbraw/zinc/21/91/25/274219125.db2.gz NZJPTIXKVCSAMF-KSSFIOAISA-N 0 3 332.448 2.198 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285012029 274664916 /nfs/dbraw/zinc/66/49/16/274664916.db2.gz GMSRMSDDOBYVCT-NSHDSACASA-N 0 3 337.376 2.101 20 5 EEBDHN CN(C)[C@@]1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCSC1 ZINC000288446224 275059232 /nfs/dbraw/zinc/05/92/32/275059232.db2.gz PBLRAYMHUFTPFT-CYBMUJFWSA-N 0 3 339.446 2.449 20 5 EEBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289500532 275122129 /nfs/dbraw/zinc/12/21/29/275122129.db2.gz KUIYTCQNUXLIDZ-CQSZACIVSA-N 0 3 341.795 2.327 20 5 EEBDHN O=[N+]([O-])c1ccccc1CCNCc1cnc(C2OCCO2)s1 ZINC000290556489 275217869 /nfs/dbraw/zinc/21/78/69/275217869.db2.gz ZKOBYFBDFWPHQU-UHFFFAOYSA-N 0 3 335.385 2.429 20 5 EEBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000291712546 275332741 /nfs/dbraw/zinc/33/27/41/275332741.db2.gz ZYYSGEKZBHXONB-JPQUEUOBSA-N 0 3 331.416 2.403 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281640770 292771632 /nfs/dbraw/zinc/77/16/32/292771632.db2.gz VNBWHTZPZAMRFS-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293129167 293133332 /nfs/dbraw/zinc/13/33/32/293133332.db2.gz RNHQZIMXLLWGPR-STQMWFEESA-N 0 3 333.310 2.033 20 5 EEBDHN Cc1nc(NCc2ccccc2OCCN(C)C)ncc1[N+](=O)[O-] ZINC000295579397 293759300 /nfs/dbraw/zinc/75/93/00/293759300.db2.gz RWGSLBPFMSHFID-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000296755027 294058299 /nfs/dbraw/zinc/05/82/99/294058299.db2.gz QBCZFMAOIIFUMM-ZDUSSCGKSA-N 0 3 346.431 2.258 20 5 EEBDHN CC(C)[C@@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000297310649 294208543 /nfs/dbraw/zinc/20/85/43/294208543.db2.gz BRSQXNYNZCQYSP-QGZVFWFLSA-N 0 3 346.387 2.282 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000299499561 294758249 /nfs/dbraw/zinc/75/82/49/294758249.db2.gz CIHKYBFLXUGKID-CQSZACIVSA-N 0 3 343.387 2.193 20 5 EEBDHN CC(C)C1CCC(N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000301544410 294867736 /nfs/dbraw/zinc/86/77/36/294867736.db2.gz DJYHEQUJPWUDKP-UHFFFAOYSA-N 0 3 348.451 2.304 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237553352 297113128 /nfs/dbraw/zinc/11/31/28/297113128.db2.gz JEEFNIFGFNRJHD-QWHCGFSZSA-N 0 3 332.404 2.017 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420464676 301859775 /nfs/dbraw/zinc/85/97/75/301859775.db2.gz KJKUGZDYBVASET-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000417999322 313682512 /nfs/dbraw/zinc/68/25/12/313682512.db2.gz WEJKGVIEYDDUOC-GHMZBOCLSA-N 0 3 340.811 2.183 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420993362 314017571 /nfs/dbraw/zinc/01/75/71/314017571.db2.gz MAYZZZNWERNPLQ-KBPBESRZSA-N 0 3 340.330 2.138 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(C)CC1 ZINC000520866966 316883455 /nfs/dbraw/zinc/88/34/55/316883455.db2.gz LKTOAHMDYQCBIX-GFCCVEGCSA-N 0 3 349.387 2.174 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548394548 318385018 /nfs/dbraw/zinc/38/50/18/318385018.db2.gz QVIMLVVNCVPEOW-OAHLLOKOSA-N 0 3 349.387 2.174 20 5 EEBDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000581296990 324223559 /nfs/dbraw/zinc/22/35/59/324223559.db2.gz KRTWPZXRPRINPV-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000184786987 465026291 /nfs/dbraw/zinc/02/62/91/465026291.db2.gz USNUMJVMGNFBIB-UHFFFAOYSA-N 0 3 346.431 2.361 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000590569588 468274935 /nfs/dbraw/zinc/27/49/35/468274935.db2.gz JVOGILFEJPBLFK-AWEZNQCLSA-N 0 3 344.371 2.491 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000045779328 462617419 /nfs/dbraw/zinc/61/74/19/462617419.db2.gz BEILGVFTSWMXBA-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000153865126 462701911 /nfs/dbraw/zinc/70/19/11/462701911.db2.gz OYBPBRPJYALCOM-INIZCTEOSA-N 0 3 346.383 2.475 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613741 462741228 /nfs/dbraw/zinc/74/12/28/462741228.db2.gz JSFLUJRCIAKVBY-CABCVRRESA-N 0 3 347.415 2.227 20 5 EEBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000076250186 462830567 /nfs/dbraw/zinc/83/05/67/462830567.db2.gz JPZCTWWOEFGKPZ-UHFFFAOYSA-N 0 3 336.348 2.109 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000590756121 468328661 /nfs/dbraw/zinc/32/86/61/468328661.db2.gz GSHZJHYHRPONIG-XZJROXQQSA-N 0 3 333.388 2.245 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)cc1OC(F)F ZINC000092620520 462965792 /nfs/dbraw/zinc/96/57/92/462965792.db2.gz HGKGLMVMTGCAIK-UHFFFAOYSA-N 0 3 345.346 2.455 20 5 EEBDHN CN(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599283 462982831 /nfs/dbraw/zinc/98/28/31/462982831.db2.gz WXBWGJGIZPWAEB-MRXNPFEDSA-N 0 3 343.383 2.393 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000068134417 463097444 /nfs/dbraw/zinc/09/74/44/463097444.db2.gz XCGAKAPIRAGFFW-OAHLLOKOSA-N 0 3 347.415 2.451 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068341660 463123502 /nfs/dbraw/zinc/12/35/02/463123502.db2.gz UKRIVKVGTNMDRY-INIZCTEOSA-N 0 3 334.420 2.340 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079783550 463248419 /nfs/dbraw/zinc/24/84/19/463248419.db2.gz JYEWIIHFMUHBSP-SECBINFHSA-N 0 3 342.193 2.039 20 5 EEBDHN CN(C)CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000056890514 463431258 /nfs/dbraw/zinc/43/12/58/463431258.db2.gz YUCRNJFDDMWXMB-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CN1CCN(CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000057151574 463457692 /nfs/dbraw/zinc/45/76/92/463457692.db2.gz FORSLUBZORQHNE-UHFFFAOYSA-N 0 3 336.411 2.198 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000071946053 463477314 /nfs/dbraw/zinc/47/73/14/463477314.db2.gz RDWGRCVZHHMXJR-UHFFFAOYSA-N 0 3 346.362 2.308 20 5 EEBDHN CC(C)[C@H](CCO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162181769 463490208 /nfs/dbraw/zinc/49/02/08/463490208.db2.gz VCNZPXZCLKLZBT-NSHDSACASA-N 0 3 329.784 2.183 20 5 EEBDHN CN(C)C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000041620655 463498555 /nfs/dbraw/zinc/49/85/55/463498555.db2.gz HUILEJYCTMPKDF-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000171126138 463792268 /nfs/dbraw/zinc/79/22/68/463792268.db2.gz KEDBMYPOJOGDKZ-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN CCc1[nH]nc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000171804156 463928365 /nfs/dbraw/zinc/92/83/65/463928365.db2.gz JFROLRAOAKDYHA-UHFFFAOYSA-N 0 3 349.435 2.218 20 5 EEBDHN CC(C)N(C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173635020 464297437 /nfs/dbraw/zinc/29/74/37/464297437.db2.gz OCWWJGYIBBASDC-UHFFFAOYSA-N 0 3 335.404 2.305 20 5 EEBDHN Cc1cc(OCC(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281065351 464318969 /nfs/dbraw/zinc/31/89/69/464318969.db2.gz KJYJUHCSAVOKTE-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000281507899 464483124 /nfs/dbraw/zinc/48/31/24/464483124.db2.gz IJHACHSIFNPLNE-KGLIPLIRSA-N 0 3 347.415 2.414 20 5 EEBDHN CN1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000272190813 464511915 /nfs/dbraw/zinc/51/19/15/464511915.db2.gz MIXYRZCDGHENOO-ZBEGNZNMSA-N 0 3 330.388 2.010 20 5 EEBDHN CN1CC[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208097 464517999 /nfs/dbraw/zinc/51/79/99/464517999.db2.gz PTRNUODGJDRUNL-SJKOYZFVSA-N 0 3 344.415 2.017 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281716869 464558336 /nfs/dbraw/zinc/55/83/36/464558336.db2.gz QKTPGGGUCJPJBD-HIFRSBDPSA-N 0 3 335.404 2.081 20 5 EEBDHN CCO[C@H]1C[C@@](CO)(NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981295 464579142 /nfs/dbraw/zinc/57/91/42/464579142.db2.gz LRJWMGFCEDWCFY-RDJZCZTQSA-N 0 3 338.404 2.129 20 5 EEBDHN C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000295452129 464840414 /nfs/dbraw/zinc/84/04/14/464840414.db2.gz WPQOFNPISGQDDI-LLVKDONJSA-N 0 3 343.387 2.027 20 5 EEBDHN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295538796 464874613 /nfs/dbraw/zinc/87/46/13/464874613.db2.gz KJQBQHFNJPNVLI-CQSZACIVSA-N 0 3 347.415 2.306 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN1C1CC1 ZINC000342935571 465398692 /nfs/dbraw/zinc/39/86/92/465398692.db2.gz SMINHBIDGNBJON-QWRGUYRKSA-N 0 3 328.372 2.431 20 5 EEBDHN CCN1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348201573 465487462 /nfs/dbraw/zinc/48/74/62/465487462.db2.gz QAMDVQBHBMVTSC-INIZCTEOSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1ccncc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402044 466067037 /nfs/dbraw/zinc/06/70/37/466067037.db2.gz BDYDPIQVXVIBOC-UONOGXRCSA-N 0 3 331.376 2.468 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000591509248 468478425 /nfs/dbraw/zinc/47/84/25/468478425.db2.gz XUIJIUXZQBGFAX-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN CN(Cc1ccc(Cl)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305709900 466431765 /nfs/dbraw/zinc/43/17/65/466431765.db2.gz XFJGMYJLHHEVEM-GFCCVEGCSA-N 0 3 342.758 2.077 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000374796346 466746674 /nfs/dbraw/zinc/74/66/74/466746674.db2.gz UXNKYPNARQWONI-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN N[C@H](CC1CCCCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829364 466864506 /nfs/dbraw/zinc/86/45/06/466864506.db2.gz RVWAGZRTZJVTQN-OAHLLOKOSA-N 0 3 349.435 2.253 20 5 EEBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000423975197 466934075 /nfs/dbraw/zinc/93/40/75/466934075.db2.gz LGXLJBHXMPXISY-MRXNPFEDSA-N 0 3 328.372 2.290 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186955 467034974 /nfs/dbraw/zinc/03/49/74/467034974.db2.gz TWMZBRMYOGDVBN-UQCMEYCASA-N 0 3 329.400 2.297 20 5 EEBDHN CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c3ncccc23)N(C)C1 ZINC000413282966 467205748 /nfs/dbraw/zinc/20/57/48/467205748.db2.gz RRPDUEZRPZCZIJ-STQMWFEESA-N 0 3 330.388 2.298 20 5 EEBDHN CN1CCC[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000413434358 467241671 /nfs/dbraw/zinc/24/16/71/467241671.db2.gz FXGRHVODUXYUDK-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000452116522 467329674 /nfs/dbraw/zinc/32/96/74/467329674.db2.gz NFPZANPUNAJSAB-OAHLLOKOSA-N 0 3 334.420 2.256 20 5 EEBDHN COC(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429380320 467331877 /nfs/dbraw/zinc/33/18/77/467331877.db2.gz FLPBZMMMNMNBJB-BBRMVZONSA-N 0 3 336.388 2.493 20 5 EEBDHN CCC[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116537 467455849 /nfs/dbraw/zinc/45/58/49/467455849.db2.gz IRZIZKBSONOUAL-DZGCQCFKSA-N 0 3 341.433 2.060 20 5 EEBDHN CC(C)c1nc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000453289759 467477958 /nfs/dbraw/zinc/47/79/58/467477958.db2.gz MOIDYBFWYYYXGH-NWDGAFQWSA-N 0 3 333.396 2.306 20 5 EEBDHN CNc1nc(C(=O)NC[C@H]2CCCCN2CC(C)C)ccc1[N+](=O)[O-] ZINC000456004842 467703775 /nfs/dbraw/zinc/70/37/75/467703775.db2.gz XQQLTBNJFJKBII-CYBMUJFWSA-N 0 3 349.435 2.272 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450319766 467826632 /nfs/dbraw/zinc/82/66/32/467826632.db2.gz RYFRAXRKBZEXRF-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000450804976 467911126 /nfs/dbraw/zinc/91/11/26/467911126.db2.gz BVDLOBWTGKLVDA-AWEZNQCLSA-N 0 3 327.388 2.343 20 5 EEBDHN Cc1ccccc1OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515475444 467993728 /nfs/dbraw/zinc/99/37/28/467993728.db2.gz XHUACDNBANOLCN-OAHLLOKOSA-N 0 3 346.383 2.312 20 5 EEBDHN CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000591926978 468573738 /nfs/dbraw/zinc/57/37/38/468573738.db2.gz NLALAMPPTLGPLL-INIZCTEOSA-N 0 3 334.420 2.263 20 5 EEBDHN COC(=O)c1cnc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599325 468631850 /nfs/dbraw/zinc/63/18/50/468631850.db2.gz JELZCMQHSRAJCT-CHWSQXEVSA-N 0 3 334.376 2.205 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1 ZINC000592245307 468663803 /nfs/dbraw/zinc/66/38/03/468663803.db2.gz FYXIQNXIAYAKEY-OAHLLOKOSA-N 0 3 346.431 2.265 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)CN1CCOCC1 ZINC000595007747 468742430 /nfs/dbraw/zinc/74/24/30/468742430.db2.gz JNDOURIGYFLRCQ-ZIAGYGMSSA-N 0 3 337.420 2.222 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113503 468745478 /nfs/dbraw/zinc/74/54/78/468745478.db2.gz HKFXVKFAAOZCQQ-MSOLQXFVSA-N 0 3 342.399 2.178 20 5 EEBDHN CN(CCc1nnn(C(C)(C)C)n1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477132 468869289 /nfs/dbraw/zinc/86/92/89/468869289.db2.gz QQPHOLBHZHUUCO-UHFFFAOYSA-N 0 3 332.408 2.053 20 5 EEBDHN COC(=O)c1ccnc(N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000598594190 468926130 /nfs/dbraw/zinc/92/61/30/468926130.db2.gz ZIKMKTZYVUOWJH-UHFFFAOYSA-N 0 3 336.392 2.087 20 5 EEBDHN CC(C)N[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587626229 469091677 /nfs/dbraw/zinc/09/16/77/469091677.db2.gz GPHIYFWPEKNRDJ-NSHDSACASA-N 0 3 331.376 2.210 20 5 EEBDHN Nc1ccc(NCC2CCN(Cc3cccs3)CC2)nc1[N+](=O)[O-] ZINC000596096521 469153489 /nfs/dbraw/zinc/15/34/89/469153489.db2.gz IMZBWRNBLGLHNT-UHFFFAOYSA-N 0 3 347.444 2.958 20 5 EEBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000573547304 469156609 /nfs/dbraw/zinc/15/66/09/469156609.db2.gz VBNKUDBHJMFJIJ-MRXNPFEDSA-N 0 3 347.415 2.210 20 5 EEBDHN Cc1nccn1CCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197910 469211928 /nfs/dbraw/zinc/21/19/28/469211928.db2.gz PVWOTICNOLWZKQ-UHFFFAOYSA-N 0 3 346.387 2.393 20 5 EEBDHN CN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000602320156 469281464 /nfs/dbraw/zinc/28/14/64/469281464.db2.gz GTNGADYVVVKECW-HNNXBMFYSA-N 0 3 340.383 2.475 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(C)(C)S(C)(=O)=O ZINC000615724212 469305590 /nfs/dbraw/zinc/30/55/90/469305590.db2.gz SPTGUNSKLXMQEB-WQLSENKSSA-N 0 3 326.418 2.411 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@]2(CC)CCOC2)c([N+](=O)[O-])c1 ZINC000616866054 469526603 /nfs/dbraw/zinc/52/66/03/469526603.db2.gz JWCIKYDALRMZCK-MRXNPFEDSA-N 0 3 337.376 2.091 20 5 EEBDHN C[C@@H](CN1CCOCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180696798 533856495 /nfs/dbraw/zinc/85/64/95/533856495.db2.gz ZWTSWQPCLJDIMI-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CC(C)N(CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000129726005 528906952 /nfs/dbraw/zinc/90/69/52/528906952.db2.gz AFYDZCHQPDJAPN-UHFFFAOYSA-N 0 3 343.449 2.133 20 5 EEBDHN CCC1(CC)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1OC ZINC000191359706 529108761 /nfs/dbraw/zinc/10/87/61/529108761.db2.gz DBJLIZIGXRYEID-HUUCEWRRSA-N 0 3 335.404 2.377 20 5 EEBDHN CC[C@@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727833395 576453065 /nfs/dbraw/zinc/45/30/65/576453065.db2.gz SANWBEDLXQLWQX-OAHLLOKOSA-N 0 3 346.431 2.118 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000730807378 577058603 /nfs/dbraw/zinc/05/86/03/577058603.db2.gz VIRLQRGKVMTNMC-AWEZNQCLSA-N 0 3 332.404 2.019 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757786350 577864085 /nfs/dbraw/zinc/86/40/85/577864085.db2.gz DGNZVMVBZGXMGD-HZMBPMFUSA-N 0 3 334.376 2.208 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCc3ccc(O)cc3CC2)c1 ZINC000750097897 577987060 /nfs/dbraw/zinc/98/70/60/577987060.db2.gz ZFECHLKTQGUJAA-GOSISDBHSA-N 0 3 328.368 2.435 20 5 EEBDHN C[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000736799680 578224372 /nfs/dbraw/zinc/22/43/72/578224372.db2.gz CXQIEAQFXZKFNY-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000736799680 578224373 /nfs/dbraw/zinc/22/43/73/578224373.db2.gz CXQIEAQFXZKFNY-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000736799680 578224374 /nfs/dbraw/zinc/22/43/74/578224374.db2.gz CXQIEAQFXZKFNY-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000736799680 578224375 /nfs/dbraw/zinc/22/43/75/578224375.db2.gz CXQIEAQFXZKFNY-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@@H]3COCO3)o2)c([N+](=O)[O-])c1 ZINC000894872366 683263052 /nfs/dbraw/zinc/26/30/52/683263052.db2.gz IMUVHXZYWJFBQV-CYBMUJFWSA-N 0 3 334.328 2.326 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001059689591 688158375 /nfs/dbraw/zinc/15/83/75/688158375.db2.gz SYHQDKOQMVEAON-BETUJISGSA-N 0 3 343.387 2.237 20 5 EEBDHN O=[N+]([O-])CCNCCSCCOc1cccc(Br)c1 ZINC000905102150 694529932 /nfs/dbraw/zinc/52/99/32/694529932.db2.gz AKTQUDYZKGBAFT-UHFFFAOYSA-N 0 3 349.250 2.427 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001101829582 1187676770 /nfs/dbraw/zinc/67/67/70/1187676770.db2.gz QWCMBIBCBOZVSH-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2ccccn2c1 ZINC001134700534 1199758818 /nfs/dbraw/zinc/75/88/18/1199758818.db2.gz CKPBHEOUDLHMAE-UHFFFAOYSA-N 0 3 338.367 2.367 20 5 EEBDHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105476 1201088367 /nfs/dbraw/zinc/08/83/67/1201088367.db2.gz ZTLKMOIYGKXYBH-SECBINFHSA-N 0 3 325.271 2.281 20 5 EEBDHN CN(C)C1(C(=O)NCCCN(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC001095657549 1205905035 /nfs/dbraw/zinc/90/50/35/1205905035.db2.gz BEUUKRXKZABQTJ-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001095658221 1205905325 /nfs/dbraw/zinc/90/53/25/1205905325.db2.gz PUXSLESJPXKGAQ-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CSCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000932587436 1207631946 /nfs/dbraw/zinc/63/19/46/1207631946.db2.gz KMWBGTIXAVMMTN-CQSZACIVSA-N 0 3 340.445 2.410 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2c(C)cccc2C)C1 ZINC000950052078 1209999438 /nfs/dbraw/zinc/99/94/38/1209999438.db2.gz DKSBVOWTKLHOOV-NVXWUHKLSA-N 0 3 331.416 2.001 20 5 EEBDHN O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1[O-] ZINC001019991872 1229432917 /nfs/dbraw/zinc/43/29/17/1229432917.db2.gz JNSUAAFDXGZUQD-HDJSIYSDSA-N 0 3 341.367 2.351 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC(F)(F)C1 ZINC001020058588 1229464588 /nfs/dbraw/zinc/46/45/88/1229464588.db2.gz OIXMVGOGCKCBDO-JOCQHMNTSA-N 0 3 339.342 2.377 20 5 EEBDHN CCCN(C)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096111783 1234966174 /nfs/dbraw/zinc/96/61/74/1234966174.db2.gz KEGPPWRECIJQIV-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801971535 1236567037 /nfs/dbraw/zinc/56/70/37/1236567037.db2.gz LENURUOLCQDBHR-AWEZNQCLSA-N 0 3 338.383 2.166 20 5 EEBDHN O=C(c1cc[nH]c1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048834875 1238852614 /nfs/dbraw/zinc/85/26/14/1238852614.db2.gz GUYROYRJINTEGA-IYBDPMFKSA-N 0 3 340.383 2.127 20 5 EEBDHN CCCN(CCNC(=O)C1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001101194954 1245506739 /nfs/dbraw/zinc/50/67/39/1245506739.db2.gz QUVQQLWYYQWUEL-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001156477206 1318031331 /nfs/dbraw/zinc/03/13/31/1318031331.db2.gz IOASLZTWWLRRDY-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@H](F)C[C@H](CO)C3)CC2)cc1 ZINC001254475237 1318082278 /nfs/dbraw/zinc/08/22/78/1318082278.db2.gz CUCHJLREJMCFKQ-UONOGXRCSA-N 0 3 337.395 2.216 20 5 EEBDHN Cc1nc(-n2cnc(CN)c2)c([N+](=O)[O-])c(C)c1Br ZINC001162304215 1320816105 /nfs/dbraw/zinc/81/61/05/1320816105.db2.gz NCAJVHKJWSGMQG-UHFFFAOYSA-N 0 3 326.154 2.014 20 5 EEBDHN CC(=O)c1cccc(OC[C@H](O)CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001338717654 1336898760 /nfs/dbraw/zinc/89/87/60/1336898760.db2.gz CBWVEJRGGROTLL-QGZVFWFLSA-N 0 3 344.367 2.327 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001100203902 1338157610 /nfs/dbraw/zinc/15/76/10/1338157610.db2.gz LNJVDJBCNQOEKJ-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC001593467016 1349803406 /nfs/dbraw/zinc/80/34/06/1349803406.db2.gz JXXCJVWBYIARKW-UHFFFAOYSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC001593467016 1349803413 /nfs/dbraw/zinc/80/34/13/1349803413.db2.gz JXXCJVWBYIARKW-UHFFFAOYSA-N 0 3 328.376 2.397 20 5 EEBDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-c1nnn[n-]1 ZINC001604791680 1351005732 /nfs/dbraw/zinc/00/57/32/1351005732.db2.gz DKEFBJPJEWANOE-UHFFFAOYSA-N 0 3 338.371 2.449 20 5 EEBDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-c1nnn[n-]1 ZINC001604791680 1351005733 /nfs/dbraw/zinc/00/57/33/1351005733.db2.gz DKEFBJPJEWANOE-UHFFFAOYSA-N 0 3 338.371 2.449 20 5 EEBDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-c1nn[n-]n1 ZINC001604791680 1351005734 /nfs/dbraw/zinc/00/57/34/1351005734.db2.gz DKEFBJPJEWANOE-UHFFFAOYSA-N 0 3 338.371 2.449 20 5 EEBDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-c1nn[n-]n1 ZINC001604791680 1351005736 /nfs/dbraw/zinc/00/57/36/1351005736.db2.gz DKEFBJPJEWANOE-UHFFFAOYSA-N 0 3 338.371 2.449 20 5 EEBDHN COc1cc(C[NH2+][C@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000799350823 1371647289 /nfs/dbraw/zinc/64/72/89/1371647289.db2.gz YBJJCEKGLJEMNU-OAHLLOKOSA-N 0 3 346.383 2.392 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351981 1373141151 /nfs/dbraw/zinc/14/11/51/1373141151.db2.gz IWGAJQOSAYFBMG-UONOGXRCSA-N 0 3 332.404 2.232 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC001127534356 770602668 /nfs/dbraw/zinc/60/26/68/770602668.db2.gz DEUOCZHLDJHUSK-UHFFFAOYSA-N 0 3 343.387 2.036 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000920445540 770707699 /nfs/dbraw/zinc/70/76/99/770707699.db2.gz JZWGIEVVEYYQAT-SNVBAGLBSA-N 0 3 336.348 2.026 20 5 EEBDHN CN1Cc2ccccc2[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190228 785455808 /nfs/dbraw/zinc/45/58/08/785455808.db2.gz IHTUWSGEBAEHDQ-QZTJIDSGSA-N 0 3 327.384 2.405 20 5 EEBDHN CC(C)c1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911944050 787828706 /nfs/dbraw/zinc/82/87/06/787828706.db2.gz VLRALKVGORWGKM-UHFFFAOYSA-N 0 3 349.431 2.247 20 5 EEBDHN CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001109653467 805830631 /nfs/dbraw/zinc/83/06/31/805830631.db2.gz XAMGEKQFYBRVJN-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CC([C@H](OC(=O)CNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872196 789971254 /nfs/dbraw/zinc/97/12/54/789971254.db2.gz DMXKNBRBTKNDGR-YGRLFVJLSA-N 0 3 340.351 2.238 20 5 EEBDHN CC([C@H](OC(=O)CN1CCSC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872504 789971328 /nfs/dbraw/zinc/97/13/28/789971328.db2.gz IOOWMSDBNBNSOL-ZANVPECISA-N 0 3 342.348 2.244 20 5 EEBDHN CC([C@@H](OC(=O)COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875939 789972040 /nfs/dbraw/zinc/97/20/40/789972040.db2.gz MCTXUYRLGFZNIC-BDJLRTHQSA-N 0 3 341.335 2.271 20 5 EEBDHN CC([C@H](OC(=O)CCc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878492 789972526 /nfs/dbraw/zinc/97/25/26/789972526.db2.gz GZEVYPWLIVKTIR-ZBEGNZNMSA-N 0 3 335.335 2.442 20 5 EEBDHN CC(C)c1oncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146441205 791269015 /nfs/dbraw/zinc/26/90/15/791269015.db2.gz IEAMSPDRYYNULK-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnn(CC3CCC3)c2)cc1 ZINC000921705899 795550921 /nfs/dbraw/zinc/55/09/21/795550921.db2.gz ZMARBZBHXVMSLX-QGZVFWFLSA-N 0 3 330.388 2.415 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001095181496 797491955 /nfs/dbraw/zinc/49/19/55/797491955.db2.gz BIPLAQSSWAXEFS-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN O=C(NC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002786444 798607742 /nfs/dbraw/zinc/60/77/42/798607742.db2.gz AVTBPZCTTGFZMC-UKRRQHHQSA-N 0 3 337.807 2.086 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CC)CN1CCOCC1 ZINC000922588897 801419477 /nfs/dbraw/zinc/41/94/77/801419477.db2.gz DHOABJWJZCUQHR-OAHLLOKOSA-N 0 3 337.420 2.194 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001086042988 802003092 /nfs/dbraw/zinc/00/30/92/802003092.db2.gz HKWUYPWRAOYIID-BJHJDKERSA-N 0 3 346.412 2.350 20 5 EEBDHN Cc1nocc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086465926 803032847 /nfs/dbraw/zinc/03/28/47/803032847.db2.gz BZLLMZDHOIOFFX-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026561 803592460 /nfs/dbraw/zinc/59/24/60/803592460.db2.gz MMZXCRFFFBRXHI-UONOGXRCSA-N 0 3 330.388 2.395 20 5 EEBDHN Cc1cc(N[C@@H]2CN3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001516166243 1118996851 /nfs/dbraw/zinc/99/68/51/1118996851.db2.gz PTVQNEIJKFPLGR-MRXNPFEDSA-N 0 3 339.399 2.288 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174464412 231214447 /nfs/dbraw/zinc/21/44/47/231214447.db2.gz LAXRVPWVBSJNCK-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086966 231382269 /nfs/dbraw/zinc/38/22/69/231382269.db2.gz ZJLQIWBUVKUPQJ-OLZOCXBDSA-N 0 3 341.433 2.054 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(C)CC1 ZINC000103453156 282294854 /nfs/dbraw/zinc/29/48/54/282294854.db2.gz CHJXIMAWYWRWAD-UHFFFAOYSA-N 0 3 334.420 2.075 20 5 EEBDHN C[C@@H](Cc1ccccc1F)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020478 236387633 /nfs/dbraw/zinc/38/76/33/236387633.db2.gz QFYWIDAQDKVTIT-JBBXEZCESA-N 0 3 348.374 2.349 20 5 EEBDHN Cn1cc(CN[C@@H]2C=C[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129655148 223078866 /nfs/dbraw/zinc/07/88/66/223078866.db2.gz AZHXINJHJUCRIS-SWLSCSKDSA-N 0 3 328.372 2.022 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@@H]2Cc3cccc(O)c3C2)c2c(c1)COCO2 ZINC000428566715 241612656 /nfs/dbraw/zinc/61/26/56/241612656.db2.gz POCFRHLOYSGYIE-CQSZACIVSA-N 0 3 342.351 2.424 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)Cn3cccn3)C2)cc1 ZINC000451542749 243151095 /nfs/dbraw/zinc/15/10/95/243151095.db2.gz ADBQANZBENUFCO-WBVHZDCISA-N 0 3 330.388 2.032 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245521477 243124455 /nfs/dbraw/zinc/12/44/55/243124455.db2.gz KPDYWFIGWFDFCG-RYUDHWBXSA-N 0 3 349.387 2.174 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479571 243129172 /nfs/dbraw/zinc/12/91/72/243129172.db2.gz NMTIGFZAQSWSOW-DJIMGWMZSA-N 0 3 347.415 2.351 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247167450 243386838 /nfs/dbraw/zinc/38/68/38/243386838.db2.gz AQYRGLVOMDKKAE-BDJLRTHQSA-N 0 3 330.388 2.488 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773475 245243541 /nfs/dbraw/zinc/24/35/41/245243541.db2.gz STTCOJXQODXLIN-HUUCEWRRSA-N 0 3 349.387 2.089 20 5 EEBDHN COc1ccc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263715114 245571029 /nfs/dbraw/zinc/57/10/29/245571029.db2.gz VQMMADXNKJCFMO-AVGNSLFASA-N 0 3 335.404 2.481 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264081214 246047398 /nfs/dbraw/zinc/04/73/98/246047398.db2.gz QGXMBQQIISZWFC-UHFFFAOYSA-N 0 3 335.404 2.164 20 5 EEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000491796738 246156832 /nfs/dbraw/zinc/15/68/32/246156832.db2.gz NITWIOKCQBZELS-IMMZDGJCSA-N 0 3 333.363 2.300 20 5 EEBDHN CC(COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496075794 247302774 /nfs/dbraw/zinc/30/27/74/247302774.db2.gz IQZSEWYVZMHKCM-UTUOFQBUSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000266316876 248243690 /nfs/dbraw/zinc/24/36/90/248243690.db2.gz FBKXPIVTCCPCEP-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000164067690 533211836 /nfs/dbraw/zinc/21/18/36/533211836.db2.gz QPHKCFWDULSQKY-IUODEOHRSA-N 0 3 333.388 2.160 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000267166808 256033639 /nfs/dbraw/zinc/03/36/39/256033639.db2.gz BDTRBWLNVUPRPT-QGZVFWFLSA-N 0 3 342.399 2.129 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373435 256128332 /nfs/dbraw/zinc/12/83/32/256128332.db2.gz NHSUZTZFJGENMG-GTNSWQLSSA-N 0 3 342.399 2.218 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970141 256342431 /nfs/dbraw/zinc/34/24/31/256342431.db2.gz HIQFIFOHLREZCJ-GRYCIOLGSA-N 0 3 337.376 2.099 20 5 EEBDHN CN(C)Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000078228629 292191406 /nfs/dbraw/zinc/19/14/06/292191406.db2.gz AILUMGBCBIVBDA-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851087 161095716 /nfs/dbraw/zinc/09/57/16/161095716.db2.gz IGONZARNHCXYQG-SWLSCSKDSA-N 0 3 331.416 2.471 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344699349 161236979 /nfs/dbraw/zinc/23/69/79/161236979.db2.gz WCTXQXCRNSASDL-OAHLLOKOSA-N 0 3 334.420 2.243 20 5 EEBDHN Cn1cnc(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000344899444 161254636 /nfs/dbraw/zinc/25/46/36/161254636.db2.gz FJPUYYZWLHCEPQ-UHFFFAOYSA-N 0 3 327.344 2.316 20 5 EEBDHN COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000355728686 163283677 /nfs/dbraw/zinc/28/36/77/163283677.db2.gz DSVMWGSXVOETLO-OKILXGFUSA-N 0 3 334.372 2.379 20 5 EEBDHN CN1CCC(N2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850307 165293903 /nfs/dbraw/zinc/29/39/03/165293903.db2.gz KVMUUJHALBXBDM-NSHDSACASA-N 0 3 340.374 2.453 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC000277367530 269150971 /nfs/dbraw/zinc/15/09/71/269150971.db2.gz HKANTKYRFRLRST-QGZVFWFLSA-N 0 3 346.431 2.453 20 5 EEBDHN CC(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CCN(C)CC1 ZINC000278500834 269234301 /nfs/dbraw/zinc/23/43/01/269234301.db2.gz XDUIMLPMSOKOFM-KRWDZBQOSA-N 0 3 347.463 2.247 20 5 EEBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497797 274094539 /nfs/dbraw/zinc/09/45/39/274094539.db2.gz YBGCZYFYKKSJSZ-KGLIPLIRSA-N 0 3 331.376 2.468 20 5 EEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](O)CN1CCCCC1 ZINC000278211689 274341534 /nfs/dbraw/zinc/34/15/34/274341534.db2.gz FRJFLRPCKJXNTR-SNVBAGLBSA-N 0 3 348.325 2.267 20 5 EEBDHN CCC[C@@]1(CO)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288752137 275083842 /nfs/dbraw/zinc/08/38/42/275083842.db2.gz IBZWCMNPQHEVES-QGZVFWFLSA-N 0 3 338.404 2.467 20 5 EEBDHN CCN(CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290503908 275213298 /nfs/dbraw/zinc/21/32/98/275213298.db2.gz DPTRZJLGVJFQND-GFCCVEGCSA-N 0 3 347.375 2.177 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1OCCc2sccc21 ZINC000292404346 275422873 /nfs/dbraw/zinc/42/28/73/275422873.db2.gz LNRNCFWNMHXEKG-ZBEGNZNMSA-N 0 3 349.412 2.110 20 5 EEBDHN C[C@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000344206079 279264044 /nfs/dbraw/zinc/26/40/44/279264044.db2.gz DUJJPKWXXKGQOE-GFCCVEGCSA-N 0 3 327.812 2.449 20 5 EEBDHN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294279368 293413781 /nfs/dbraw/zinc/41/37/81/293413781.db2.gz MFZITVKZSFPEBW-NSHDSACASA-N 0 3 341.433 2.185 20 5 EEBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298912135 294615726 /nfs/dbraw/zinc/61/57/26/294615726.db2.gz DENZYDGJDRQMNH-UHFFFAOYSA-N 0 3 338.433 2.014 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000171447434 303579113 /nfs/dbraw/zinc/57/91/13/303579113.db2.gz SIIZASJECIBBPN-KRWDZBQOSA-N 0 3 346.431 2.484 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160946161 311360161 /nfs/dbraw/zinc/36/01/61/311360161.db2.gz FPVHUKILHVQQKY-AWEZNQCLSA-N 0 3 345.403 2.141 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330661043 311774917 /nfs/dbraw/zinc/77/49/17/311774917.db2.gz ZCQNGAKMOWIDSI-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN CC(COC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496852815 316298714 /nfs/dbraw/zinc/29/87/14/316298714.db2.gz KAXVAVRKVBBJLN-LLVKDONJSA-N 0 3 330.381 2.232 20 5 EEBDHN CCN1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000517004255 316626865 /nfs/dbraw/zinc/62/68/65/316626865.db2.gz SWSSINPQJCQYGE-UHFFFAOYSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@@H](C(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569494014 319582299 /nfs/dbraw/zinc/58/22/99/319582299.db2.gz FQSZQFMQWPIENK-GFCCVEGCSA-N 0 3 331.376 2.095 20 5 EEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(n2ccnc2)CC1 ZINC000120305476 462985471 /nfs/dbraw/zinc/98/54/71/462985471.db2.gz NZMLWXUSTFVJEM-UHFFFAOYSA-N 0 3 340.343 2.145 20 5 EEBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251489 465129509 /nfs/dbraw/zinc/12/95/09/465129509.db2.gz XLBDIOKYURLSKO-UONOGXRCSA-N 0 3 334.420 2.338 20 5 EEBDHN COCc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000521104509 468290696 /nfs/dbraw/zinc/29/06/96/468290696.db2.gz XAEDVGYUQCRCQA-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN CN1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000060859436 462568179 /nfs/dbraw/zinc/56/81/79/462568179.db2.gz JMTLROZJSGKJIW-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN CN(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688175 462667683 /nfs/dbraw/zinc/66/76/83/462667683.db2.gz QSIWZLHMPOYWQD-MRXNPFEDSA-N 0 3 328.372 2.409 20 5 EEBDHN COc1ccccc1[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550126 462796344 /nfs/dbraw/zinc/79/63/44/462796344.db2.gz SRNCNUXNEVBJRY-CQSZACIVSA-N 0 3 343.383 2.255 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000067806722 463053748 /nfs/dbraw/zinc/05/37/48/463053748.db2.gz XDBBIMOHHFUBLB-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000052641247 463097925 /nfs/dbraw/zinc/09/79/25/463097925.db2.gz NTEJLXNYRXYMRH-LBPRGKRZSA-N 0 3 332.404 2.383 20 5 EEBDHN COC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026219670 463155739 /nfs/dbraw/zinc/15/57/39/463155739.db2.gz JJTFBSRMZGECGP-UHFFFAOYSA-N 0 3 349.387 2.117 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055400471 463315347 /nfs/dbraw/zinc/31/53/47/463315347.db2.gz VTFCIOIFHVQSDD-UONOGXRCSA-N 0 3 335.404 2.210 20 5 EEBDHN CN(C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000071063216 463405909 /nfs/dbraw/zinc/40/59/09/463405909.db2.gz APZWSODRUKGFMT-KRWDZBQOSA-N 0 3 343.383 2.393 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000041630987 463499264 /nfs/dbraw/zinc/49/92/64/463499264.db2.gz IYFYMISUVHFKGI-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000286828175 463718290 /nfs/dbraw/zinc/71/82/90/463718290.db2.gz OKOFNEFBJBEBDF-CQSZACIVSA-N 0 3 346.431 2.429 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261713732 463836269 /nfs/dbraw/zinc/83/62/69/463836269.db2.gz KRIULEJZVDOAEN-JKSUJKDBSA-N 0 3 341.367 2.170 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H]1CCCN(C)C1 ZINC000287310087 463866007 /nfs/dbraw/zinc/86/60/07/463866007.db2.gz NEIJSYGVRDOCSH-CYBMUJFWSA-N 0 3 335.404 2.468 20 5 EEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194532643 463878841 /nfs/dbraw/zinc/87/88/41/463878841.db2.gz QUWICSMAZFSXCI-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000284458765 464199414 /nfs/dbraw/zinc/19/94/14/464199414.db2.gz RTOYBXYSNZNQAU-XHDPSFHLSA-N 0 3 333.388 2.206 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180006564 464223541 /nfs/dbraw/zinc/22/35/41/464223541.db2.gz BLWZAACGVYLZEU-LLVKDONJSA-N 0 3 343.330 2.410 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000237570570 464341982 /nfs/dbraw/zinc/34/19/82/464341982.db2.gz QKGQDBHFRIHVGV-GUYCJALGSA-N 0 3 342.399 2.459 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000281507898 464482993 /nfs/dbraw/zinc/48/29/93/464482993.db2.gz IJHACHSIFNPLNE-KBPBESRZSA-N 0 3 347.415 2.414 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000281582420 464511901 /nfs/dbraw/zinc/51/19/01/464511901.db2.gz MYXBVRMPENRDCG-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272226265 464526369 /nfs/dbraw/zinc/52/63/69/464526369.db2.gz CWXXDBQLIIYURN-BXUZGUMPSA-N 0 3 334.376 2.161 20 5 EEBDHN CCN(CC)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516398 464641204 /nfs/dbraw/zinc/64/12/04/464641204.db2.gz KDQNCBKNQQVVGM-MRXNPFEDSA-N 0 3 331.420 2.349 20 5 EEBDHN CN1CCC(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272568896 464663234 /nfs/dbraw/zinc/66/32/34/464663234.db2.gz YQTUGQPILYMYPO-UHFFFAOYSA-N 0 3 325.796 2.249 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593894 464672612 /nfs/dbraw/zinc/67/26/12/464672612.db2.gz OJQUXSMLGLXOKA-HOTGVXAUSA-N 0 3 346.431 2.263 20 5 EEBDHN C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192189109 464882605 /nfs/dbraw/zinc/88/26/05/464882605.db2.gz SIKYZTXDEYPARA-JSGCOSHPSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN1C1CC1 ZINC000342935569 465399471 /nfs/dbraw/zinc/39/94/71/465399471.db2.gz SMINHBIDGNBJON-MNOVXSKESA-N 0 3 328.372 2.431 20 5 EEBDHN CNc1c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125157 465783484 /nfs/dbraw/zinc/78/34/84/465783484.db2.gz VRJSZRYDBODQPS-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146538 465814716 /nfs/dbraw/zinc/81/47/16/465814716.db2.gz GJJDFERATOJLIX-LBPRGKRZSA-N 0 3 330.388 2.171 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166682 465953370 /nfs/dbraw/zinc/95/33/70/465953370.db2.gz SAOANSKCSPKOHI-VBQJREDUSA-N 0 3 331.416 2.326 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346183357 465971076 /nfs/dbraw/zinc/97/10/76/465971076.db2.gz CSIWBYVIDYSLAD-SNVBAGLBSA-N 0 3 334.401 2.398 20 5 EEBDHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346249696 466028398 /nfs/dbraw/zinc/02/83/98/466028398.db2.gz XKRKEQOOVYECLO-UMVBOHGHSA-N 0 3 347.415 2.406 20 5 EEBDHN Cn1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336013 466086056 /nfs/dbraw/zinc/08/60/56/466086056.db2.gz PKEZPCMUBWTZAM-IAOVAPTHSA-N 0 3 342.399 2.198 20 5 EEBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338693890 466316451 /nfs/dbraw/zinc/31/64/51/466316451.db2.gz CWWUHEKCVRMBPH-ZDUSSCGKSA-N 0 3 333.310 2.401 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332056373 466365390 /nfs/dbraw/zinc/36/53/90/466365390.db2.gz OSKJFJSMLWMXSI-CJNGLKHVSA-N 0 3 332.404 2.139 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCCO[C@@H](C)C1 ZINC000340900953 466421011 /nfs/dbraw/zinc/42/10/11/466421011.db2.gz JGEDEYXJYNUBJU-LBPRGKRZSA-N 0 3 325.413 2.032 20 5 EEBDHN CC[C@H](NC(=O)[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591669272 468500680 /nfs/dbraw/zinc/50/06/80/468500680.db2.gz MWSLWJLCWZMQBB-STQMWFEESA-N 0 3 327.331 2.407 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000324810320 466649684 /nfs/dbraw/zinc/64/96/84/466649684.db2.gz SDSHWXKVDCSCOE-AWEZNQCLSA-N 0 3 332.404 2.337 20 5 EEBDHN CN1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000369775309 466752276 /nfs/dbraw/zinc/75/22/76/466752276.db2.gz XHTWEKOJTQIVIA-QZTJIDSGSA-N 0 3 339.395 2.351 20 5 EEBDHN CC1(C)C[C@H](NCCNc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281002 467313575 /nfs/dbraw/zinc/31/35/75/467313575.db2.gz AJQBAPBBQXHJCN-HNNXBMFYSA-N 0 3 327.388 2.809 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCN1C1CC1 ZINC000434444572 467398642 /nfs/dbraw/zinc/39/86/42/467398642.db2.gz DHGLXQPBLOHRCN-HNNXBMFYSA-N 0 3 335.379 2.410 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000449530019 467658871 /nfs/dbraw/zinc/65/88/71/467658871.db2.gz BNSIRENDRRUNNB-SZWOSNRGSA-N 0 3 333.432 2.385 20 5 EEBDHN NC(=O)[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449745214 467704400 /nfs/dbraw/zinc/70/44/00/467704400.db2.gz LWBUPYXYSNYDEC-PWSUYJOCSA-N 0 3 346.412 2.462 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000493304071 467882441 /nfs/dbraw/zinc/88/24/41/467882441.db2.gz QLINFIUCEIFCMB-WUKHSURWSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@H](C(=O)NCCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642132 467944772 /nfs/dbraw/zinc/94/47/72/467944772.db2.gz MPEKJWJCYIYEGM-GJZGRUSLSA-N 0 3 349.431 2.315 20 5 EEBDHN C[C@@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CN1C1CC1 ZINC000516943395 468057866 /nfs/dbraw/zinc/05/78/66/468057866.db2.gz YJVDXFCBSYNLPM-ZJUUUORDSA-N 0 3 329.360 2.281 20 5 EEBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589687921 468177020 /nfs/dbraw/zinc/17/70/20/468177020.db2.gz QBSOBVFVFZNUGV-CQSZACIVSA-N 0 3 336.411 2.259 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195755 468508925 /nfs/dbraw/zinc/50/89/25/468508925.db2.gz IUXGGXUNJMDRLG-LSDHHAIUSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594217082 468516104 /nfs/dbraw/zinc/51/61/04/468516104.db2.gz OWHSDBYPZWQSHB-IRXDYDNUSA-N 0 3 346.431 2.453 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594227252 468520186 /nfs/dbraw/zinc/52/01/86/468520186.db2.gz VGFLODBGQNWMBB-HZPDHXFCSA-N 0 3 332.404 2.411 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594227251 468520304 /nfs/dbraw/zinc/52/03/04/468520304.db2.gz VGFLODBGQNWMBB-HOTGVXAUSA-N 0 3 332.404 2.411 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000597603522 468613836 /nfs/dbraw/zinc/61/38/36/468613836.db2.gz CYQHJCYJBDTVSS-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000582983852 468625522 /nfs/dbraw/zinc/62/55/22/468625522.db2.gz UIXJJXZVQCLVTN-OAHLLOKOSA-N 0 3 349.431 2.479 20 5 EEBDHN C[C@H](NS(=O)(=O)CCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601310198 468821154 /nfs/dbraw/zinc/82/11/54/468821154.db2.gz NIHFIPXLSIHBGA-ZDUSSCGKSA-N 0 3 341.433 2.061 20 5 EEBDHN CC(C)O[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053754 468853736 /nfs/dbraw/zinc/85/37/36/468853736.db2.gz LPPLDVXIYYJFAS-CABCVRRESA-N 0 3 338.404 2.224 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000585718540 469019798 /nfs/dbraw/zinc/01/97/98/469019798.db2.gz KQHKKKRWPGSQRA-INIZCTEOSA-N 0 3 349.431 2.160 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915156 469048350 /nfs/dbraw/zinc/04/83/50/469048350.db2.gz IXGNUWSHAYYTMD-UFBFGSQYSA-N 0 3 342.783 2.483 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH]c1=O ZINC000599084154 469111946 /nfs/dbraw/zinc/11/19/46/469111946.db2.gz OXTDYUJDSGPVDQ-LLVKDONJSA-N 0 3 330.344 2.202 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066366 469157648 /nfs/dbraw/zinc/15/76/48/469157648.db2.gz NJCPSYXAKNAEMN-HUUCEWRRSA-N 0 3 333.388 2.085 20 5 EEBDHN CC(C)CC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602475950 469332233 /nfs/dbraw/zinc/33/22/33/469332233.db2.gz UKZXELZRPDXZHQ-INIZCTEOSA-N 0 3 334.420 2.007 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000602568799 469365166 /nfs/dbraw/zinc/36/51/66/469365166.db2.gz MYKDJSWVXYASMM-UHFFFAOYSA-N 0 3 346.408 2.257 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424467 469391497 /nfs/dbraw/zinc/39/14/97/469391497.db2.gz XHXWQKCHMXBPJJ-MRXNPFEDSA-N 0 3 348.447 2.112 20 5 EEBDHN CCN(CC)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192909841 528114718 /nfs/dbraw/zinc/11/47/18/528114718.db2.gz BTJOERAMAGGTSW-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451771628 535542941 /nfs/dbraw/zinc/54/29/41/535542941.db2.gz IBECUJHGGJGJQW-KGLIPLIRSA-N 0 3 349.387 2.163 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733167510 577206311 /nfs/dbraw/zinc/20/63/11/577206311.db2.gz OHBMARAZDUFBMS-INIZCTEOSA-N 0 3 345.403 2.097 20 5 EEBDHN CNC(=O)c1ccc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276587 577456465 /nfs/dbraw/zinc/45/64/65/577456465.db2.gz OBCFFBIFADQTRT-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN COCCCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585002 577463359 /nfs/dbraw/zinc/46/33/59/577463359.db2.gz QUMOXIPROKDNIS-KRWDZBQOSA-N 0 3 338.404 2.146 20 5 EEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCN(C2CC2)C1 ZINC000756950050 577853673 /nfs/dbraw/zinc/85/36/73/577853673.db2.gz AOQIKWNKOHLGMR-LLVKDONJSA-N 0 3 338.795 2.284 20 5 EEBDHN O=C(Cc1cscn1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020687389 675409161 /nfs/dbraw/zinc/40/91/61/675409161.db2.gz ASLSFDVJZPXKDL-JOCQHMNTSA-N 0 3 346.412 2.031 20 5 EEBDHN CCCCN1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119656687 683571556 /nfs/dbraw/zinc/57/15/56/683571556.db2.gz YRQBLDAQKGVUSD-UHFFFAOYSA-N 0 3 347.462 2.199 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985287598 686229296 /nfs/dbraw/zinc/22/92/96/686229296.db2.gz RHTIXAMTBCHFSB-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000985287598 686229303 /nfs/dbraw/zinc/22/93/03/686229303.db2.gz RHTIXAMTBCHFSB-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN COCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001128837360 1195804324 /nfs/dbraw/zinc/80/43/24/1195804324.db2.gz GWPKDTUKANWSSS-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000810315571 1199448595 /nfs/dbraw/zinc/44/85/95/1199448595.db2.gz BVAGSSSEVOTAQF-HUUCEWRRSA-N 0 3 348.403 2.142 20 5 EEBDHN Cc1ccccc1-n1ccnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109377 1201121465 /nfs/dbraw/zinc/12/14/65/1201121465.db2.gz JMELGARMMMVVFS-LBPRGKRZSA-N 0 3 335.385 2.481 20 5 EEBDHN COc1ccc(-c2cnc(CCC(=O)OCC(C)[N+](=O)[O-])o2)cc1 ZINC000813115107 1201125821 /nfs/dbraw/zinc/12/58/21/1201125821.db2.gz KSRGERDSWVYLTD-LLVKDONJSA-N 0 3 334.328 2.491 20 5 EEBDHN Cc1ccc(NC2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001057335153 1243340738 /nfs/dbraw/zinc/34/07/38/1243340738.db2.gz WABCRSWWHLPUDL-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000827495944 1248225787 /nfs/dbraw/zinc/22/57/87/1248225787.db2.gz ATLMGARCBPZIBC-GJZGRUSLSA-N 0 3 328.372 2.418 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000853232074 1292334618 /nfs/dbraw/zinc/33/46/18/1292334618.db2.gz RAPPSMGURMLRFD-LBPRGKRZSA-N 0 3 330.388 2.136 20 5 EEBDHN CCN(CC1CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000794683730 1296525482 /nfs/dbraw/zinc/52/54/82/1296525482.db2.gz QWACLQJUJZCOPK-UHFFFAOYSA-N 0 3 346.387 2.443 20 5 EEBDHN O=C(CCc1ccco1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154544763 1317195416 /nfs/dbraw/zinc/19/54/16/1317195416.db2.gz KCPZYATUOKGTEA-UHFFFAOYSA-N 0 3 331.372 2.417 20 5 EEBDHN Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)cn1 ZINC001154672510 1317258599 /nfs/dbraw/zinc/25/85/99/1317258599.db2.gz HXTIWKHYVPSWTE-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN CCc1ocnc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156035080 1317841835 /nfs/dbraw/zinc/84/18/35/1317841835.db2.gz KNJYYGBTRZGHIX-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001156471637 1318027346 /nfs/dbraw/zinc/02/73/46/1318027346.db2.gz DQYSPXRLQCGXDB-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001254852416 1318204976 /nfs/dbraw/zinc/20/49/76/1318204976.db2.gz YXZAPJKWMJCTQX-CYBMUJFWSA-N 0 3 345.315 2.362 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162777634 1320955301 /nfs/dbraw/zinc/95/53/01/1320955301.db2.gz DKTWIQWABJTSCX-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN O=[N+]([O-])c1cccc2cnc(N[C@H]3CCCC[C@@]34CNCCO4)nc21 ZINC001163644953 1321179443 /nfs/dbraw/zinc/17/94/43/1321179443.db2.gz OPPQJSVSBPRIEU-WMLDXEAASA-N 0 3 343.387 2.251 20 5 EEBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC001263201571 1322443037 /nfs/dbraw/zinc/44/30/37/1322443037.db2.gz IDTAILHYRSUZGJ-IHRRRGAJSA-N 0 3 346.431 2.406 20 5 EEBDHN O=[N+]([O-])c1c(N2CC(N[C@H]3CCOC3)C2)cccc1C(F)(F)F ZINC001307217815 1331518338 /nfs/dbraw/zinc/51/83/38/1331518338.db2.gz UHKGBNCWBRJCOH-VIFPVBQESA-N 0 3 331.294 2.181 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848352533 1338690948 /nfs/dbraw/zinc/69/09/48/1338690948.db2.gz QIYWJVDFORJHDO-KGLIPLIRSA-N 0 3 336.367 2.063 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589134371 1348963164 /nfs/dbraw/zinc/96/31/64/1348963164.db2.gz CDRRMYYKRGRJQQ-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589134371 1348963166 /nfs/dbraw/zinc/96/31/66/1348963166.db2.gz CDRRMYYKRGRJQQ-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589134371 1348963168 /nfs/dbraw/zinc/96/31/68/1348963168.db2.gz CDRRMYYKRGRJQQ-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589134371 1348963170 /nfs/dbraw/zinc/96/31/70/1348963170.db2.gz CDRRMYYKRGRJQQ-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091501 1371273738 /nfs/dbraw/zinc/27/37/38/1371273738.db2.gz JVFVLWFLNQALDD-WMLDXEAASA-N 0 3 332.356 2.172 20 5 EEBDHN CN(C)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001091379390 790509234 /nfs/dbraw/zinc/50/92/34/790509234.db2.gz LIBRBFSIOBZKKB-OKILXGFUSA-N 0 3 346.431 2.386 20 5 EEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCCC2)c([N+](=O)[O-])cc1F ZINC000822662976 787320509 /nfs/dbraw/zinc/32/05/09/787320509.db2.gz JLNGUGQANOOEPI-LLVKDONJSA-N 0 3 339.367 2.347 20 5 EEBDHN Cc1nc[nH]c1C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997433541 789903451 /nfs/dbraw/zinc/90/34/51/789903451.db2.gz AMQITWNUXHVEAS-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845668914 789915199 /nfs/dbraw/zinc/91/51/99/789915199.db2.gz QBJLYFCGXPEURW-ZDUSSCGKSA-N 0 3 344.371 2.422 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112108658 789931529 /nfs/dbraw/zinc/93/15/29/789931529.db2.gz KQVNGQUSQJOKDH-UHFFFAOYSA-N 0 3 336.436 2.221 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094640126 796510115 /nfs/dbraw/zinc/51/01/15/796510115.db2.gz SISQKZGORCTMGB-UHFFFAOYSA-N 0 3 340.399 2.382 20 5 EEBDHN CC1(CO)CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010132 797195765 /nfs/dbraw/zinc/19/57/65/797195765.db2.gz MVMNEHSWOWVFLM-UHFFFAOYSA-N 0 3 341.358 2.156 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(N3CCCC3)C2)c1F ZINC001173191039 797281698 /nfs/dbraw/zinc/28/16/98/797281698.db2.gz ZUGOYAIZCWCHHF-GFCCVEGCSA-N 0 3 337.395 2.454 20 5 EEBDHN Cc1cc(N2CCCN(C(=O)CN(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095182537 797492940 /nfs/dbraw/zinc/49/29/40/797492940.db2.gz ZRDSWNDUXBBYQA-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110194741 798426062 /nfs/dbraw/zinc/42/60/62/798426062.db2.gz YRTKXQXSARHCBN-UHFFFAOYSA-N 0 3 347.350 2.069 20 5 EEBDHN O=C(CCn1cccc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001169185635 803643610 /nfs/dbraw/zinc/64/36/10/803643610.db2.gz YYARYHKTEJCLAU-UHFFFAOYSA-N 0 3 330.388 2.083 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000787675086 807177151 /nfs/dbraw/zinc/17/71/51/807177151.db2.gz JEOFSLBVCXSBIG-INIZCTEOSA-N 0 3 337.395 2.421 20 5 EEBDHN Cc1onc(C2CC2)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131436575 812844917 /nfs/dbraw/zinc/84/49/17/812844917.db2.gz KWXQDGIDRGRKAV-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)c2ncccc12 ZINC000176742035 231722327 /nfs/dbraw/zinc/72/23/27/231722327.db2.gz DFVMXZIWUTZOFZ-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072703884 216296056 /nfs/dbraw/zinc/29/60/56/216296056.db2.gz YGSKCTYSLNQXNO-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000072839759 216315367 /nfs/dbraw/zinc/31/53/67/216315367.db2.gz ZCHGJQVWNHDOJC-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN CN(C(=O)CN[C@@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132629334 223349267 /nfs/dbraw/zinc/34/92/67/223349267.db2.gz OUGGKUCJQACKAB-CQSZACIVSA-N 0 3 335.404 2.493 20 5 EEBDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314175 241740858 /nfs/dbraw/zinc/74/08/58/241740858.db2.gz HPEOKAOWWGBOAH-SMDDNHRTSA-N 0 3 341.367 2.384 20 5 EEBDHN Cc1nn(C)c(C)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541496 242287959 /nfs/dbraw/zinc/28/79/59/242287959.db2.gz MQCOTQURUZEYJL-LSDHHAIUSA-N 0 3 332.408 2.415 20 5 EEBDHN COCC1=CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000185819028 533159370 /nfs/dbraw/zinc/15/93/70/533159370.db2.gz YWKZYDMQKRMFFP-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN COc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266174587 256020698 /nfs/dbraw/zinc/02/06/98/256020698.db2.gz SIBHSAFOMINWFC-MRXNPFEDSA-N 0 3 336.436 2.287 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267114206 256028506 /nfs/dbraw/zinc/02/85/06/256028506.db2.gz ODDXPVPYNPBZKH-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000267988845 256102622 /nfs/dbraw/zinc/10/26/22/256102622.db2.gz PRJVPOXGPUWMIL-GXTWGEPZSA-N 0 3 342.399 2.291 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000271216617 256221071 /nfs/dbraw/zinc/22/10/71/256221071.db2.gz IZSJPDVFOPQCQD-XOKHGSTOSA-N 0 3 330.388 2.408 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000273504454 256302610 /nfs/dbraw/zinc/30/26/10/256302610.db2.gz VWXLZORWPJGXHJ-OLZOCXBDSA-N 0 3 342.396 2.243 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273597123 256310623 /nfs/dbraw/zinc/31/06/23/256310623.db2.gz IRMHEAXZKJGVQW-CQSZACIVSA-N 0 3 327.388 2.486 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CC2CC2)CC1 ZINC000053238265 292137099 /nfs/dbraw/zinc/13/70/99/292137099.db2.gz SWOFQKKHWWPBLF-UHFFFAOYSA-N 0 3 346.431 2.259 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000363150134 286381385 /nfs/dbraw/zinc/38/13/85/286381385.db2.gz MAAORVPONLEBNF-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000129159266 292353233 /nfs/dbraw/zinc/35/32/33/292353233.db2.gz ICZHPAKMDWCPFT-UHFFFAOYSA-N 0 3 342.399 2.385 20 5 EEBDHN CCOc1cc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827408 160018536 /nfs/dbraw/zinc/01/85/36/160018536.db2.gz KKQBKDIQRGAHCQ-CQSZACIVSA-N 0 3 336.436 2.431 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000338056217 160701338 /nfs/dbraw/zinc/70/13/38/160701338.db2.gz GKDSBOLMLDBLDY-UKRRQHHQSA-N 0 3 346.431 2.404 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000343055461 161098855 /nfs/dbraw/zinc/09/88/55/161098855.db2.gz SSOAGQVHNIQKNR-ZDUSSCGKSA-N 0 3 336.392 2.309 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343768773 161166574 /nfs/dbraw/zinc/16/65/74/161166574.db2.gz MXSFZVFCQGZMTR-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000359266433 164098459 /nfs/dbraw/zinc/09/84/59/164098459.db2.gz DXPHOMKETDPUTB-ZDUSSCGKSA-N 0 3 332.404 2.353 20 5 EEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250666 166221606 /nfs/dbraw/zinc/22/16/06/166221606.db2.gz MDAYOTUDJZYWIL-SJORKVTESA-N 0 3 330.388 2.416 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC000375963360 167236754 /nfs/dbraw/zinc/23/67/54/167236754.db2.gz JNBBPOIGDUFXBX-MRXNPFEDSA-N 0 3 340.383 2.010 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC000271769937 268857086 /nfs/dbraw/zinc/85/70/86/268857086.db2.gz IKJGLMAFBCAMPX-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(N2CCOCC2)CC1 ZINC000277439905 269156127 /nfs/dbraw/zinc/15/61/27/269156127.db2.gz DONMAYKLKULORL-UHFFFAOYSA-N 0 3 325.796 2.203 20 5 EEBDHN COCCN(C)CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000193208236 274056306 /nfs/dbraw/zinc/05/63/06/274056306.db2.gz RTIZTUOSGHPQLL-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272479277 274173481 /nfs/dbraw/zinc/17/34/81/274173481.db2.gz GJYUKPBENXSXTR-UHFFFAOYSA-N 0 3 339.342 2.430 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997424 274825829 /nfs/dbraw/zinc/82/58/29/274825829.db2.gz YCOWWKNLXLZZRF-UKRRQHHQSA-N 0 3 333.388 2.059 20 5 EEBDHN Cc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000288231140 275037360 /nfs/dbraw/zinc/03/73/60/275037360.db2.gz FEUJPPFWFPQBOJ-STQMWFEESA-N 0 3 332.404 2.184 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289741462 275144520 /nfs/dbraw/zinc/14/45/20/275144520.db2.gz QODBSNXSVQSVFO-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN COc1cc(C[NH2+]CCc2cccnc2OC)c([N+](=O)[O-])cc1[O-] ZINC000289758591 275146173 /nfs/dbraw/zinc/14/61/73/275146173.db2.gz IVGMIDJSRFVLEK-UHFFFAOYSA-N 0 3 333.344 2.045 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292059731 275369649 /nfs/dbraw/zinc/36/96/49/275369649.db2.gz AQTGKEYHSSGJOC-SFHVURJKSA-N 0 3 342.399 2.104 20 5 EEBDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536694 294002265 /nfs/dbraw/zinc/00/22/65/294002265.db2.gz SAWINLYTUKPPDE-BFQNTYOBSA-N 0 3 332.404 2.438 20 5 EEBDHN C[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297406762 294235807 /nfs/dbraw/zinc/23/58/07/294235807.db2.gz NPEAACGRRRQVMO-LBPRGKRZSA-N 0 3 346.391 2.236 20 5 EEBDHN CCN1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cn3)c2)CC1 ZINC000302232105 294945309 /nfs/dbraw/zinc/94/53/09/294945309.db2.gz CMSXUHIETWGINT-UHFFFAOYSA-N 0 3 328.376 2.270 20 5 EEBDHN COc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332329739 311990245 /nfs/dbraw/zinc/99/02/45/311990245.db2.gz PBMDGDBPJTVBPH-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413204286 312820486 /nfs/dbraw/zinc/82/04/86/312820486.db2.gz XPUVJZXUUVWBDM-LLVKDONJSA-N 0 3 348.325 2.166 20 5 EEBDHN COc1cc(CN[C@@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000418137487 313723408 /nfs/dbraw/zinc/72/34/08/313723408.db2.gz RRMXVEAQLAHRMV-LLVKDONJSA-N 0 3 345.346 2.041 20 5 EEBDHN CN(C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000439135948 315069686 /nfs/dbraw/zinc/06/96/86/315069686.db2.gz WONNUHNGGSEMFZ-LBPRGKRZSA-N 0 3 334.401 2.470 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621261 315088982 /nfs/dbraw/zinc/08/89/82/315088982.db2.gz CAPPDZGSJCTVFI-RBSFLKMASA-N 0 3 333.388 2.103 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342608 315242990 /nfs/dbraw/zinc/24/29/90/315242990.db2.gz FFAXWRMWUKVJAS-KCQAQPDRSA-N 0 3 338.404 2.464 20 5 EEBDHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121281 315274739 /nfs/dbraw/zinc/27/47/39/315274739.db2.gz HNZHJJQIUUXWCW-CRAIPNDOSA-N 0 3 347.415 2.012 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637911 316404655 /nfs/dbraw/zinc/40/46/55/316404655.db2.gz WCUVSNHMIQXWQO-DRABBMOASA-N 0 3 333.388 2.325 20 5 EEBDHN COc1ccc(CC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000537590140 318020993 /nfs/dbraw/zinc/02/09/93/318020993.db2.gz FFJJSIXGYMPWEV-ZDUSSCGKSA-N 0 3 349.431 2.335 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000133661636 462957118 /nfs/dbraw/zinc/95/71/18/462957118.db2.gz MMKJYVWHGMMWOS-JOYOIKCWSA-N 0 3 348.359 2.166 20 5 EEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295951517 465032227 /nfs/dbraw/zinc/03/22/27/465032227.db2.gz HDMBIHTXJYQSAQ-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CCNc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000326900838 465045664 /nfs/dbraw/zinc/04/56/64/465045664.db2.gz KZMIAYOSGGPSMH-KRWDZBQOSA-N 0 3 332.404 2.194 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339130860 465099885 /nfs/dbraw/zinc/09/98/85/465099885.db2.gz FRQLARXXPNMKAE-MRXNPFEDSA-N 0 3 348.378 2.171 20 5 EEBDHN COc1cc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635782 465138784 /nfs/dbraw/zinc/13/87/84/465138784.db2.gz YDDDWPHDCBBJJN-IUODEOHRSA-N 0 3 347.371 2.089 20 5 EEBDHN CCC[C@@H](N[C@@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315054 465153409 /nfs/dbraw/zinc/15/34/09/465153409.db2.gz GOTMFTHMXBLGHX-DZGCQCFKSA-N 0 3 343.449 2.353 20 5 EEBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000113229421 462580117 /nfs/dbraw/zinc/58/01/17/462580117.db2.gz BTIHRTVVLJFWCG-GXTWGEPZSA-N 0 3 335.429 2.382 20 5 EEBDHN CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000590690868 468307536 /nfs/dbraw/zinc/30/75/36/468307536.db2.gz IUHSEDLUUUTJDI-GFCCVEGCSA-N 0 3 343.387 2.151 20 5 EEBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000065867381 462834900 /nfs/dbraw/zinc/83/49/00/462834900.db2.gz VSXJHMFLUFDSSC-ZIAGYGMSSA-N 0 3 334.420 2.243 20 5 EEBDHN NC(=O)c1ccc(CN2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000579226570 468327174 /nfs/dbraw/zinc/32/71/74/468327174.db2.gz SQJQXTTWPCCWHJ-CQSZACIVSA-N 0 3 326.356 2.078 20 5 EEBDHN CN(CC1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000155835465 462949825 /nfs/dbraw/zinc/94/98/25/462949825.db2.gz RFCGXXNVGQYGBR-MRXNPFEDSA-N 0 3 333.388 2.059 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120136038 462965619 /nfs/dbraw/zinc/96/56/19/462965619.db2.gz KAPGVEMICPQVPA-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN CC1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068203060 463105272 /nfs/dbraw/zinc/10/52/72/463105272.db2.gz QGAFMRPIHJQLJW-UHFFFAOYSA-N 0 3 344.415 2.398 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079718504 463244334 /nfs/dbraw/zinc/24/43/34/463244334.db2.gz VZCVHPMKPHMTJS-HUUCEWRRSA-N 0 3 348.447 2.268 20 5 EEBDHN C[C@@H]1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995049 468346539 /nfs/dbraw/zinc/34/65/39/468346539.db2.gz CVTBWKJTZYPGOJ-OLZOCXBDSA-N 0 3 326.418 2.394 20 5 EEBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000069642792 463293482 /nfs/dbraw/zinc/29/34/82/463293482.db2.gz HKALAASGAZPIIG-UHFFFAOYSA-N 0 3 333.348 2.293 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N(C)C1CC1 ZINC000057716076 463513543 /nfs/dbraw/zinc/51/35/43/463513543.db2.gz CMJDEWZCHKQAEB-ZDUSSCGKSA-N 0 3 346.431 2.408 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000042157833 463547991 /nfs/dbraw/zinc/54/79/91/463547991.db2.gz ITLHOBXFHJGQNP-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000283540409 463919496 /nfs/dbraw/zinc/91/94/96/463919496.db2.gz PBWJEEXXCIPRAB-UHFFFAOYSA-N 0 3 344.419 2.168 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277715150 463929553 /nfs/dbraw/zinc/92/95/53/463929553.db2.gz ITTLFXXWYNVAHA-UHFFFAOYSA-N 0 3 344.415 2.109 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972474 468388240 /nfs/dbraw/zinc/38/82/40/468388240.db2.gz XXKMFBUBOWTNMN-CJNGLKHVSA-N 0 3 333.388 2.343 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1(N(C)C)CCC1 ZINC000186981741 464088111 /nfs/dbraw/zinc/08/81/11/464088111.db2.gz OMZKINQUAFKJSX-ZDUSSCGKSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591020016 468394831 /nfs/dbraw/zinc/39/48/31/468394831.db2.gz YEFLILAZGBBUAW-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292652274 464299687 /nfs/dbraw/zinc/29/96/87/464299687.db2.gz BTZGMKLKTSSPNM-KRWDZBQOSA-N 0 3 348.403 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264494200 464349851 /nfs/dbraw/zinc/34/98/51/464349851.db2.gz JPGVYFXNQPKGKA-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761956 464374859 /nfs/dbraw/zinc/37/48/59/464374859.db2.gz VOTRLLCOAUNNDY-SWLSCSKDSA-N 0 3 340.330 2.171 20 5 EEBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000188896152 464389908 /nfs/dbraw/zinc/38/99/08/464389908.db2.gz LFDDQBQXPIHKJZ-PMGBHYCQSA-N 0 3 333.432 2.385 20 5 EEBDHN COCCN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000264653164 464410537 /nfs/dbraw/zinc/41/05/37/464410537.db2.gz XIRYZMUACJERKZ-GFCCVEGCSA-N 0 3 345.346 2.007 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264702981 464430360 /nfs/dbraw/zinc/43/03/60/464430360.db2.gz WXLNYKQOUZOCNM-VXGBXAGGSA-N 0 3 337.424 2.121 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@H]12 ZINC000294359855 464477984 /nfs/dbraw/zinc/47/79/84/464477984.db2.gz GHKPSRADICQQTK-HZPDHXFCSA-N 0 3 345.399 2.301 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182329221 464627702 /nfs/dbraw/zinc/62/77/02/464627702.db2.gz XFTLXXDWIRWPAM-OLZOCXBDSA-N 0 3 347.371 2.022 20 5 EEBDHN C[C@@H]1CSCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000190397280 464635980 /nfs/dbraw/zinc/63/59/80/464635980.db2.gz LTZCIUQGVYCFRP-STQMWFEESA-N 0 3 326.418 2.019 20 5 EEBDHN Cc1[nH]ncc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506306 464638405 /nfs/dbraw/zinc/63/84/05/464638405.db2.gz ICZOCFUDRYHNNC-HNNXBMFYSA-N 0 3 326.360 2.239 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664025 464649463 /nfs/dbraw/zinc/64/94/63/464649463.db2.gz FMKGQGGBTLDUHI-UONOGXRCSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1F ZINC000295013666 464677827 /nfs/dbraw/zinc/67/78/27/464677827.db2.gz XVRFDUBEMGZFEL-LLVKDONJSA-N 0 3 341.383 2.449 20 5 EEBDHN COc1cc(C(=O)N2CCCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1C ZINC000191246793 464806259 /nfs/dbraw/zinc/80/62/59/464806259.db2.gz FNEOSCKSOAESRW-AWEZNQCLSA-N 0 3 335.404 2.468 20 5 EEBDHN Cc1cc(NC[C@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000348185523 465479904 /nfs/dbraw/zinc/47/99/04/465479904.db2.gz ZHTQGPDRRWJAAI-GOSISDBHSA-N 0 3 342.399 2.347 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CN1C1CC1 ZINC000177089749 464927560 /nfs/dbraw/zinc/92/75/60/464927560.db2.gz OQMTZIGNYGSUDI-VXGBXAGGSA-N 0 3 332.404 2.016 20 5 EEBDHN CN1CCN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276533429 464969638 /nfs/dbraw/zinc/96/96/38/464969638.db2.gz CCZHMJGZVMRDMZ-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356398589 465360357 /nfs/dbraw/zinc/36/03/57/465360357.db2.gz ZCJFNCYEZLOBJU-MXWKQRLJSA-N 0 3 341.795 2.224 20 5 EEBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000298502306 465414181 /nfs/dbraw/zinc/41/41/81/465414181.db2.gz POOOCLLIJUDFIT-ZIAGYGMSSA-N 0 3 335.404 2.210 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538402 465440711 /nfs/dbraw/zinc/44/07/11/465440711.db2.gz AXVPRXZYJKGSIY-KOLCDFICSA-N 0 3 335.364 2.079 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000344654993 465753099 /nfs/dbraw/zinc/75/30/99/465753099.db2.gz DBPYPTYWHQENEG-HNNXBMFYSA-N 0 3 335.404 2.210 20 5 EEBDHN CCN1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000346178407 465967138 /nfs/dbraw/zinc/96/71/38/465967138.db2.gz IVZFGMQQXQXJOH-ZIAGYGMSSA-N 0 3 337.420 2.397 20 5 EEBDHN CC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(CC)CC ZINC000346232136 466013071 /nfs/dbraw/zinc/01/30/71/466013071.db2.gz YSMQITLPOUGBDY-UKRRQHHQSA-N 0 3 349.435 2.123 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000346292704 466066798 /nfs/dbraw/zinc/06/67/98/466066798.db2.gz JNQAZDRFGPUWKY-GOSISDBHSA-N 0 3 331.416 2.427 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccccc3)CC2)c1 ZINC000304267354 466272249 /nfs/dbraw/zinc/27/22/49/466272249.db2.gz BAKFWJALVTYLQZ-QGZVFWFLSA-N 0 3 330.388 2.032 20 5 EEBDHN O=C(CN1CCNC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000313333824 466538888 /nfs/dbraw/zinc/53/88/88/466538888.db2.gz AMYSOYDQOBZHNA-KRWDZBQOSA-N 0 3 340.383 2.180 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312079 466555423 /nfs/dbraw/zinc/55/54/23/466555423.db2.gz PMUARBFIKFCLIT-UKRRQHHQSA-N 0 3 342.399 2.499 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000368352752 466605107 /nfs/dbraw/zinc/60/51/07/466605107.db2.gz WVRPYVWZRRRPLA-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN CS(=O)(=O)CCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315347 466831395 /nfs/dbraw/zinc/83/13/95/466831395.db2.gz SGOSJKMJHBTDRG-OAHLLOKOSA-N 0 3 326.418 2.387 20 5 EEBDHN CCOC(=O)c1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676369 466885504 /nfs/dbraw/zinc/88/55/04/466885504.db2.gz WEMRIIRJPKHNKS-ZIAGYGMSSA-N 0 3 349.387 2.047 20 5 EEBDHN CO[C@](C)([C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973235 466953077 /nfs/dbraw/zinc/95/30/77/466953077.db2.gz RJCYFEVJPVSOBF-SJKOYZFVSA-N 0 3 335.404 2.351 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000378170220 467218151 /nfs/dbraw/zinc/21/81/51/467218151.db2.gz LQVSHKQWNNCFOL-GOEBONIOSA-N 0 3 339.823 2.279 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000449144678 467620657 /nfs/dbraw/zinc/62/06/57/467620657.db2.gz JNENLGHOFPKMIS-ZYHUDNBSSA-N 0 3 345.321 2.279 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000449233559 467625156 /nfs/dbraw/zinc/62/51/56/467625156.db2.gz MDSZNZKPZIFEFF-OCCSQVGLSA-N 0 3 326.418 2.083 20 5 EEBDHN CC(C)(O)CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450301757 467821880 /nfs/dbraw/zinc/82/18/80/467821880.db2.gz GECLGYPCYQJKBQ-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450797681 467909894 /nfs/dbraw/zinc/90/98/94/467909894.db2.gz USAWTELPAUSEJJ-RNCFNFMXSA-N 0 3 326.194 2.498 20 5 EEBDHN C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642133 467944746 /nfs/dbraw/zinc/94/47/46/467944746.db2.gz MPEKJWJCYIYEGM-HUUCEWRRSA-N 0 3 349.431 2.315 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC(C)C)CC2)c1 ZINC000589495369 468156723 /nfs/dbraw/zinc/15/67/23/468156723.db2.gz RVKQXFLERVDOLH-UHFFFAOYSA-N 0 3 335.404 2.155 20 5 EEBDHN CC(C)(NCC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000590019605 468206764 /nfs/dbraw/zinc/20/67/64/468206764.db2.gz ZCGQUNBNWBZMSD-GFCCVEGCSA-N 0 3 326.418 2.244 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN([C@H]4CCC[C@H]4O)CC3)ccnc21 ZINC000590079872 468212499 /nfs/dbraw/zinc/21/24/99/468212499.db2.gz VJCFGSKHKKCQQP-DOTOQJQBSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594195350 468508652 /nfs/dbraw/zinc/50/86/52/468508652.db2.gz FZRZICZNPDJQCF-WBVHZDCISA-N 0 3 347.415 2.415 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000594390318 468569908 /nfs/dbraw/zinc/56/99/08/468569908.db2.gz UWJVBWSBMVCTSK-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1CCS(=O)(=O)CC1 ZINC000595036308 468747251 /nfs/dbraw/zinc/74/72/51/468747251.db2.gz QSXQJEOWQJSDPQ-NSHDSACASA-N 0 3 342.417 2.079 20 5 EEBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(C)C1 ZINC000592829731 468798356 /nfs/dbraw/zinc/79/83/56/468798356.db2.gz XBCQQSXLZRVQLG-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598262851 468811129 /nfs/dbraw/zinc/81/11/29/468811129.db2.gz MSTXTUHWCUDKPJ-OAHLLOKOSA-N 0 3 348.447 2.268 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598343875 468837748 /nfs/dbraw/zinc/83/77/48/468837748.db2.gz XDVPUYRBLFYLNA-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791917 469012150 /nfs/dbraw/zinc/01/21/50/469012150.db2.gz YCZQMWSRFJDYJQ-NVXWUHKLSA-N 0 3 347.415 2.475 20 5 EEBDHN COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000598989068 469077286 /nfs/dbraw/zinc/07/72/86/469077286.db2.gz ZLVKBQVTDLQXGC-NSHDSACASA-N 0 3 345.346 2.128 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593729682 469113035 /nfs/dbraw/zinc/11/30/35/469113035.db2.gz IFZCAUPRTLYTLK-QGZVFWFLSA-N 0 3 335.379 2.221 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611091716 469158085 /nfs/dbraw/zinc/15/80/85/469158085.db2.gz BYQCWTJBTZKEJU-CYBMUJFWSA-N 0 3 334.420 2.258 20 5 EEBDHN CSc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1 ZINC000596247655 469220600 /nfs/dbraw/zinc/22/06/00/469220600.db2.gz KNRBSJAYVDJBHF-AWEZNQCLSA-N 0 3 347.444 3.009 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000616014432 469353777 /nfs/dbraw/zinc/35/37/77/469353777.db2.gz VISAUQUPSWOEFL-DOTOQJQBSA-N 0 3 337.395 2.467 20 5 EEBDHN COCC[C@@](C)(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602545631 469355552 /nfs/dbraw/zinc/35/55/52/469355552.db2.gz HLOVOFVSPPPUGG-CYBMUJFWSA-N 0 3 336.310 2.491 20 5 EEBDHN Cc1nn(C)cc1[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551683 469358072 /nfs/dbraw/zinc/35/80/72/469358072.db2.gz PMAKRAZWLOPTDE-GFCCVEGCSA-N 0 3 344.419 2.351 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000616326001 469424372 /nfs/dbraw/zinc/42/43/72/469424372.db2.gz MYUNJICCUODSCW-AWEZNQCLSA-N 0 3 333.388 2.126 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619818361 469686760 /nfs/dbraw/zinc/68/67/60/469686760.db2.gz VLIJSGSVYOEJSG-INIZCTEOSA-N 0 3 334.420 2.263 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609382322 469923130 /nfs/dbraw/zinc/92/31/30/469923130.db2.gz ANSIECWPRUGMDS-HNNXBMFYSA-N 0 3 344.415 2.383 20 5 EEBDHN CN1CC[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000425491052 536466589 /nfs/dbraw/zinc/46/65/89/536466589.db2.gz LKFGMBOPQKTIHI-RISCZKNCSA-N 0 3 340.221 2.493 20 5 EEBDHN COCCOc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677952 577116012 /nfs/dbraw/zinc/11/60/12/577116012.db2.gz CSMJPAMPEOVPJD-SFHVURJKSA-N 0 3 346.383 2.443 20 5 EEBDHN CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000772576265 577283389 /nfs/dbraw/zinc/28/33/89/577283389.db2.gz DLCVPBQBWUPPGU-CHWSQXEVSA-N 0 3 347.444 2.259 20 5 EEBDHN CC(C)CNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574458 577462820 /nfs/dbraw/zinc/46/28/20/577462820.db2.gz HUDJCGDGJIUGMD-KRWDZBQOSA-N 0 3 349.431 2.112 20 5 EEBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC(C)(C)C ZINC000765422598 577500699 /nfs/dbraw/zinc/50/06/99/577500699.db2.gz AIRSNHSILQGCIF-ZDUSSCGKSA-N 0 3 348.447 2.456 20 5 EEBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000760458479 577663164 /nfs/dbraw/zinc/66/31/64/577663164.db2.gz LWMLOKJIAUFORK-UHFFFAOYSA-N 0 3 328.376 2.270 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000748432859 577961598 /nfs/dbraw/zinc/96/15/98/577961598.db2.gz CQCKEJHPBHBBJF-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749646785 577979402 /nfs/dbraw/zinc/97/94/02/577979402.db2.gz LQTCQMPZGQOHKY-HNNXBMFYSA-N 0 3 332.356 2.435 20 5 EEBDHN COCCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCCC1 ZINC000749950825 577984415 /nfs/dbraw/zinc/98/44/15/577984415.db2.gz WZHFHLQYJGHYBS-UHFFFAOYSA-N 0 3 333.392 2.496 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000741951774 578226707 /nfs/dbraw/zinc/22/67/07/578226707.db2.gz ZNIQOSVVNXDXEG-UHFFFAOYSA-N 0 3 338.364 2.225 20 5 EEBDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826282878 608554103 /nfs/dbraw/zinc/55/41/03/608554103.db2.gz DVWNPUAUUVVHQE-NSHDSACASA-N 0 3 339.359 2.329 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(N2CCNC2=O)CC1 ZINC000876515262 1199653913 /nfs/dbraw/zinc/65/39/13/1199653913.db2.gz ZQGBEUAHIFDRQY-UHFFFAOYSA-N 0 3 332.404 2.201 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])cc1SC ZINC000813114528 1201124848 /nfs/dbraw/zinc/12/48/48/1201124848.db2.gz SKMGARYWKAGFFE-ZETCQYMHSA-N 0 3 330.318 2.147 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[N+](=O)[O-] ZINC000813115640 1201126142 /nfs/dbraw/zinc/12/61/42/1201126142.db2.gz WULHPQOBTOHAQM-RKDXNWHRSA-N 0 3 344.726 2.040 20 5 EEBDHN CC(C)N(C)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095574566 1205879199 /nfs/dbraw/zinc/87/91/99/1205879199.db2.gz AMZHEQZQSQRIHE-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001017548038 1227510210 /nfs/dbraw/zinc/51/02/10/1227510210.db2.gz MTUIWJPUKNMPFS-QKPAOTATSA-N 0 3 349.456 2.205 20 5 EEBDHN O=C(CC1CC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048639855 1238162629 /nfs/dbraw/zinc/16/26/29/1238162629.db2.gz JYZWLWOVNODBEE-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC001056062933 1238663013 /nfs/dbraw/zinc/66/30/13/1238663013.db2.gz YQQIUAWAHKLBJX-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861892872 1295582796 /nfs/dbraw/zinc/58/27/96/1295582796.db2.gz VSAPEMAAYYRRLF-UHFFFAOYSA-N 0 3 349.416 2.156 20 5 EEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085675 1302604825 /nfs/dbraw/zinc/60/48/25/1302604825.db2.gz GVJAEFAXMDPJTF-LLVKDONJSA-N 0 3 345.193 2.457 20 5 EEBDHN COc1ccc(COC[C@@H](O)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC001120556278 1309609265 /nfs/dbraw/zinc/60/92/65/1309609265.db2.gz UHQFQLGVTGOFKP-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247576850 1310639627 /nfs/dbraw/zinc/63/96/27/1310639627.db2.gz JVBPGHICWWNGKD-UHFFFAOYSA-N 0 3 337.339 2.276 20 5 EEBDHN Cc1noc(C)c1CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150619254 1316318391 /nfs/dbraw/zinc/31/83/91/1316318391.db2.gz GGTREDVTHFWUIO-UHFFFAOYSA-N 0 3 346.387 2.038 20 5 EEBDHN Cc1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001152311039 1316656071 /nfs/dbraw/zinc/65/60/71/1316656071.db2.gz REBBIDVBHMAPAF-UHFFFAOYSA-N 0 3 333.413 2.413 20 5 EEBDHN O=C(CC1CCOCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155978311 1317813136 /nfs/dbraw/zinc/81/31/36/1317813136.db2.gz FZVOLAWWCZFCHJ-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN COc1ncnc2c1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254556323 1318119748 /nfs/dbraw/zinc/11/97/48/1318119748.db2.gz KMQZWUNLCNAFCG-ZDUSSCGKSA-N 0 3 342.399 2.425 20 5 EEBDHN CC(C)Oc1cc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254587648 1318135220 /nfs/dbraw/zinc/13/52/20/1318135220.db2.gz RYEPJPXAIOWGMB-CQSZACIVSA-N 0 3 328.372 2.429 20 5 EEBDHN Cc1ccnc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612151 1318145635 /nfs/dbraw/zinc/14/56/35/1318145635.db2.gz VKNKWIHBVJKAJB-DLBZAZTESA-N 0 3 340.383 2.314 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])ns1 ZINC001157209091 1318490149 /nfs/dbraw/zinc/49/01/49/1318490149.db2.gz SVUKMMHYMCABAO-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN CC(C)c1[nH]nc(-c2nc([C@H]3CN4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320327151 1332862369 /nfs/dbraw/zinc/86/23/69/1332862369.db2.gz JWHAJDNWIAOYLQ-JTQLQIEISA-N 0 3 332.364 2.301 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001322654008 1333301203 /nfs/dbraw/zinc/30/12/03/1333301203.db2.gz NYACACWUZKZTEP-OUCADQQQSA-N 0 3 349.387 2.162 20 5 EEBDHN COc1ccccc1COC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC001335651180 1336406720 /nfs/dbraw/zinc/40/67/20/1336406720.db2.gz XSOSNAPKHMSUDP-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001335883304 1336441929 /nfs/dbraw/zinc/44/19/29/1336441929.db2.gz XYKFNSIMVZSXAJ-CQSZACIVSA-N 0 3 347.327 2.033 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001335883301 1336442178 /nfs/dbraw/zinc/44/21/78/1336442178.db2.gz XYKFNSIMVZSXAJ-AWEZNQCLSA-N 0 3 347.327 2.033 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259536 1349234371 /nfs/dbraw/zinc/23/43/71/1349234371.db2.gz LCDMXGFESNUJLG-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590259536 1349234377 /nfs/dbraw/zinc/23/43/77/1349234377.db2.gz LCDMXGFESNUJLG-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259536 1349234382 /nfs/dbraw/zinc/23/43/82/1349234382.db2.gz LCDMXGFESNUJLG-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590259536 1349234392 /nfs/dbraw/zinc/23/43/92/1349234392.db2.gz LCDMXGFESNUJLG-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081192 1351409232 /nfs/dbraw/zinc/40/92/32/1351409232.db2.gz AZMIKTLJOWIHKE-GXTWGEPZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001607081192 1351409234 /nfs/dbraw/zinc/40/92/34/1351409234.db2.gz AZMIKTLJOWIHKE-GXTWGEPZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081192 1351409236 /nfs/dbraw/zinc/40/92/36/1351409236.db2.gz AZMIKTLJOWIHKE-GXTWGEPZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001607081192 1351409238 /nfs/dbraw/zinc/40/92/38/1351409238.db2.gz AZMIKTLJOWIHKE-GXTWGEPZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081194 1351409575 /nfs/dbraw/zinc/40/95/75/1351409575.db2.gz AZMIKTLJOWIHKE-OCCSQVGLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001607081194 1351409577 /nfs/dbraw/zinc/40/95/77/1351409577.db2.gz AZMIKTLJOWIHKE-OCCSQVGLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081194 1351409579 /nfs/dbraw/zinc/40/95/79/1351409579.db2.gz AZMIKTLJOWIHKE-OCCSQVGLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001607081194 1351409582 /nfs/dbraw/zinc/40/95/82/1351409582.db2.gz AZMIKTLJOWIHKE-OCCSQVGLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001607083124 1351411090 /nfs/dbraw/zinc/41/10/90/1351411090.db2.gz XLUDMCQZAJWEJH-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001607083124 1351411092 /nfs/dbraw/zinc/41/10/92/1351411092.db2.gz XLUDMCQZAJWEJH-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001607083124 1351411094 /nfs/dbraw/zinc/41/10/94/1351411094.db2.gz XLUDMCQZAJWEJH-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001607083124 1351411096 /nfs/dbraw/zinc/41/10/96/1351411096.db2.gz XLUDMCQZAJWEJH-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607084780 1351411720 /nfs/dbraw/zinc/41/17/20/1351411720.db2.gz YEKLNLJQPAPBPY-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001607084780 1351411722 /nfs/dbraw/zinc/41/17/22/1351411722.db2.gz YEKLNLJQPAPBPY-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607084780 1351411724 /nfs/dbraw/zinc/41/17/24/1351411724.db2.gz YEKLNLJQPAPBPY-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001607084780 1351411725 /nfs/dbraw/zinc/41/17/25/1351411725.db2.gz YEKLNLJQPAPBPY-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN C[C@@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)N1C ZINC000840090969 1372921225 /nfs/dbraw/zinc/92/12/25/1372921225.db2.gz VXSIHKOJHISJDD-OKILXGFUSA-N 0 3 329.404 2.440 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000846612228 790279680 /nfs/dbraw/zinc/27/96/80/790279680.db2.gz LJLWSCMRTNZLLF-UHFFFAOYSA-N 0 3 334.420 2.219 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(C)C ZINC000780854868 759845384 /nfs/dbraw/zinc/84/53/84/759845384.db2.gz ASFRZBLNAFGEJY-UHFFFAOYSA-N 0 3 347.412 2.051 20 5 EEBDHN CC(C)(CC(F)F)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129162923 784330699 /nfs/dbraw/zinc/33/06/99/784330699.db2.gz NEYCWIXEGZIKEX-UHFFFAOYSA-N 0 3 329.347 2.482 20 5 EEBDHN CSCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819088491 785396698 /nfs/dbraw/zinc/39/66/98/785396698.db2.gz SNIIJSWJTMOOGW-LLVKDONJSA-N 0 3 332.447 2.100 20 5 EEBDHN CN1Cc2ccccc2[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190230 785455970 /nfs/dbraw/zinc/45/59/70/785455970.db2.gz IHTUWSGEBAEHDQ-ROUUACIJSA-N 0 3 327.384 2.405 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107205180 786397179 /nfs/dbraw/zinc/39/71/79/786397179.db2.gz XAWFAOAQYAAGPQ-SREVYHEPSA-N 0 3 334.420 2.329 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000821280734 786657593 /nfs/dbraw/zinc/65/75/93/786657593.db2.gz ZBYMEZJPWHEZMZ-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1coc(C2CCC2)n1 ZINC001147096483 791699014 /nfs/dbraw/zinc/69/90/14/791699014.db2.gz NRUVCVSUDGQANP-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(C)(N(C)C)C2)c1F ZINC001173196807 797283454 /nfs/dbraw/zinc/28/34/54/797283454.db2.gz PBQJHUNHFIHZPV-NSHDSACASA-N 0 3 325.384 2.309 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001173237169 797322752 /nfs/dbraw/zinc/32/27/52/797322752.db2.gz IQFLXRHDJSEHGD-DZGCQCFKSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1ccc(NC2(CNC(=O)C3(N(C)C)CCC3)CC2)c([N+](=O)[O-])c1 ZINC001110253189 801053759 /nfs/dbraw/zinc/05/37/59/801053759.db2.gz OAGWEFUJXDSDFW-UHFFFAOYSA-N 0 3 346.431 2.448 20 5 EEBDHN COc1ccccc1CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030275 803577382 /nfs/dbraw/zinc/57/73/82/803577382.db2.gz XUEHQYLRRSALCJ-DOTOQJQBSA-N 0 3 333.432 2.258 20 5 EEBDHN CCOc1cccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039761 803582732 /nfs/dbraw/zinc/58/27/32/803582732.db2.gz SXVKPNFXNTZJKV-GJZGRUSLSA-N 0 3 334.420 2.048 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026562 803592382 /nfs/dbraw/zinc/59/23/82/803592382.db2.gz MMZXCRFFFBRXHI-ZIAGYGMSSA-N 0 3 330.388 2.395 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109463345 805502980 /nfs/dbraw/zinc/50/29/80/805502980.db2.gz CELQUASELJDTSR-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN CC(C)(C)c1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001130732251 811978897 /nfs/dbraw/zinc/97/88/97/811978897.db2.gz HFGFJKAVFJUNMX-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN Cc1cncc(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001131135989 812426703 /nfs/dbraw/zinc/42/67/03/812426703.db2.gz QDCHLXMVRNSHHK-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000054647824 214247229 /nfs/dbraw/zinc/24/72/29/214247229.db2.gz YZQDLYYMNNQEDR-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181884016 530057842 /nfs/dbraw/zinc/05/78/42/530057842.db2.gz KPSWUJUPOIXQSZ-SNVBAGLBSA-N 0 3 329.303 2.020 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000066187902 215021182 /nfs/dbraw/zinc/02/11/82/215021182.db2.gz YRMGATYOQMURBV-INIZCTEOSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(C)CC1 ZINC000181071168 234078235 /nfs/dbraw/zinc/07/82/35/234078235.db2.gz CCCUSJFVZMBEQY-GFCCVEGCSA-N 0 3 349.387 2.174 20 5 EEBDHN Cn1cc(CN2CCC[C@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129407496 223053251 /nfs/dbraw/zinc/05/32/51/223053251.db2.gz ZYYJACROIKAXAO-KRWDZBQOSA-N 0 3 330.388 2.342 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000416308700 239175710 /nfs/dbraw/zinc/17/57/10/239175710.db2.gz RKAOVZYZYQRAMU-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541494 242288008 /nfs/dbraw/zinc/28/80/08/242288008.db2.gz MQCOTQURUZEYJL-HUUCEWRRSA-N 0 3 332.408 2.415 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748300 243151765 /nfs/dbraw/zinc/15/17/65/243151765.db2.gz AJLHQHPZYINYST-KSYCFECVSA-N 0 3 333.388 2.469 20 5 EEBDHN COc1cc(CN[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000459587088 245179382 /nfs/dbraw/zinc/17/93/82/245179382.db2.gz LCYGCWKFHDCMNU-ZYHUDNBSSA-N 0 3 346.330 2.250 20 5 EEBDHN C[C@@H](Cc1cccc(F)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000459758453 245237201 /nfs/dbraw/zinc/23/72/01/245237201.db2.gz IAVUPVGMXACRMY-ZDUSSCGKSA-N 0 3 333.363 2.459 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000264915378 247042051 /nfs/dbraw/zinc/04/20/51/247042051.db2.gz KMQVKMBVEKTAIS-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000153525955 224117712 /nfs/dbraw/zinc/11/77/12/224117712.db2.gz NVKDYQUMYQTXNY-CQSZACIVSA-N 0 3 332.404 2.335 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000270800619 256173404 /nfs/dbraw/zinc/17/34/04/256173404.db2.gz CKZGUHSXSCQGNI-ZDUSSCGKSA-N 0 3 335.404 2.162 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000118994666 221219163 /nfs/dbraw/zinc/21/91/63/221219163.db2.gz USOWQWUIEXIXKT-NVXWUHKLSA-N 0 3 331.416 2.470 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119050352 221232009 /nfs/dbraw/zinc/23/20/09/221232009.db2.gz KFGCKZSJYUQPCD-LLVKDONJSA-N 0 3 342.193 2.181 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(O)(Cc3ccc(F)cc3)CC2)n1 ZINC000360630828 152132371 /nfs/dbraw/zinc/13/23/71/152132371.db2.gz XQHOFRJXEFVQAL-UHFFFAOYSA-N 0 3 348.378 2.000 20 5 EEBDHN CN1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374306332 154043861 /nfs/dbraw/zinc/04/38/61/154043861.db2.gz DFTRNPGUTZMACY-QZTJIDSGSA-N 0 3 339.395 2.351 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374322446 154050323 /nfs/dbraw/zinc/05/03/23/154050323.db2.gz DARUNCYQFVLKEX-DOTOQJQBSA-N 0 3 332.448 2.053 20 5 EEBDHN CC1CCN(CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000130533414 292375231 /nfs/dbraw/zinc/37/52/31/292375231.db2.gz YKLCEBFCOGUBJO-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN CN(CCc1ccccc1O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344164917 161203901 /nfs/dbraw/zinc/20/39/01/161203901.db2.gz PLBBXLKAQGQZIE-MRXNPFEDSA-N 0 3 346.383 2.215 20 5 EEBDHN CNc1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344682672 161235868 /nfs/dbraw/zinc/23/58/68/161235868.db2.gz OFIXJZPTGUPURR-CQSZACIVSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000345371994 161296251 /nfs/dbraw/zinc/29/62/51/161296251.db2.gz CRDKLHSRISXKJK-ZFWWWQNUSA-N 0 3 334.420 2.261 20 5 EEBDHN CNc1c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000356272815 163387576 /nfs/dbraw/zinc/38/75/76/163387576.db2.gz DCWAMRBHPXFFRW-KRWDZBQOSA-N 0 3 332.404 2.194 20 5 EEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250665 166221716 /nfs/dbraw/zinc/22/17/16/166221716.db2.gz MDAYOTUDJZYWIL-IRXDYDNUSA-N 0 3 330.388 2.416 20 5 EEBDHN CCOc1cc(CN2CCC3(CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000376055926 167252819 /nfs/dbraw/zinc/25/28/19/167252819.db2.gz SZWJWHJLWVACSQ-UHFFFAOYSA-N 0 3 347.415 2.438 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccncc21 ZINC000375777084 275036437 /nfs/dbraw/zinc/03/64/37/275036437.db2.gz PXBABRTVCFNWJN-ZWKOTPCHSA-N 0 3 342.399 2.178 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000289782096 275148240 /nfs/dbraw/zinc/14/82/40/275148240.db2.gz HEZTVEQPWCGSOV-AWEZNQCLSA-N 0 3 346.387 2.434 20 5 EEBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C ZINC000283859225 293002897 /nfs/dbraw/zinc/00/28/97/293002897.db2.gz HJZPAXKYLMLGHN-SNVBAGLBSA-N 0 3 326.372 2.022 20 5 EEBDHN COc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1C ZINC000293884057 293318660 /nfs/dbraw/zinc/31/86/60/293318660.db2.gz FZCQCVQVJPRLDC-GOSISDBHSA-N 0 3 347.415 2.470 20 5 EEBDHN C[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(C)C ZINC000294554226 293484400 /nfs/dbraw/zinc/48/44/00/293484400.db2.gz YRSRFPYSDREBCH-LBPRGKRZSA-N 0 3 328.372 2.337 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000439136137 315069743 /nfs/dbraw/zinc/06/97/43/315069743.db2.gz RJEPKPBMTWOLSE-HNNXBMFYSA-N 0 3 344.371 2.491 20 5 EEBDHN CNc1c(C(=O)NCCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000444619818 315311405 /nfs/dbraw/zinc/31/14/05/315311405.db2.gz ZRKRNJDXOAOERW-UHFFFAOYSA-N 0 3 334.420 2.488 20 5 EEBDHN COC(=O)NCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496756766 316246679 /nfs/dbraw/zinc/24/66/79/316246679.db2.gz UDPBROKSPJIPTI-YGRLFVJLSA-N 0 3 342.323 2.211 20 5 EEBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCN(CC2CCCCC2)CC1 ZINC000548084021 318353315 /nfs/dbraw/zinc/35/33/15/318353315.db2.gz JDHFYOKVJHETPV-UHFFFAOYSA-N 0 3 335.408 2.046 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1 ZINC000568979277 319535532 /nfs/dbraw/zinc/53/55/32/319535532.db2.gz YJFGLZICGDORBY-AWEZNQCLSA-N 0 3 334.351 2.105 20 5 EEBDHN Cc1cc(S(=O)(=O)NC[C@H](N)c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000574292649 320013605 /nfs/dbraw/zinc/01/36/05/320013605.db2.gz PXZMKYXGLVIGEU-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C ZINC000576254375 320155906 /nfs/dbraw/zinc/15/59/06/320155906.db2.gz JJSMUSCWQHTLQS-FZMZJTMJSA-N 0 3 331.376 2.048 20 5 EEBDHN O=C(CCC(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576908160 320213980 /nfs/dbraw/zinc/21/39/80/320213980.db2.gz NTWMEURNPWCXHE-INIZCTEOSA-N 0 3 345.399 2.254 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000578962365 323742113 /nfs/dbraw/zinc/74/21/13/323742113.db2.gz MVMKUWQFGJNOLF-KFWWJZLASA-N 0 3 326.418 2.472 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000133661863 462957230 /nfs/dbraw/zinc/95/72/30/462957230.db2.gz MMKJYVWHGMMWOS-CABZTGNLSA-N 0 3 348.359 2.166 20 5 EEBDHN CCN(CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000263803531 464197494 /nfs/dbraw/zinc/19/74/94/464197494.db2.gz ZZLJJEVZWRNKEL-UHFFFAOYSA-N 0 3 330.388 2.150 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336794081 465047244 /nfs/dbraw/zinc/04/72/44/465047244.db2.gz ZPBFGSFBDPRJFN-CVEARBPZSA-N 0 3 341.415 2.287 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)C2CCOCC2)c1 ZINC000339081965 465072585 /nfs/dbraw/zinc/07/25/85/465072585.db2.gz KHIOASFYXKAVKD-CQSZACIVSA-N 0 3 348.321 2.491 20 5 EEBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046063040 462643535 /nfs/dbraw/zinc/64/35/35/462643535.db2.gz BBUMARWRRAVUPB-UHFFFAOYSA-N 0 3 328.372 2.101 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090574077 462800894 /nfs/dbraw/zinc/80/08/94/462800894.db2.gz DYGNFFOAFUCVJV-AHIWAGSCSA-N 0 3 337.420 2.363 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000066945748 462952238 /nfs/dbraw/zinc/95/22/38/462952238.db2.gz DEUGYFGBMLLXML-CQSZACIVSA-N 0 3 333.388 2.060 20 5 EEBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C)C1 ZINC000068084454 463089774 /nfs/dbraw/zinc/08/97/74/463089774.db2.gz HEVFPKVBUFBUIW-RYUDHWBXSA-N 0 3 345.403 2.321 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC[C@@H](C)C1 ZINC000068118553 463095423 /nfs/dbraw/zinc/09/54/23/463095423.db2.gz CXKKRSUDYOUVMD-MNOVXSKESA-N 0 3 338.383 2.166 20 5 EEBDHN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988678 463130618 /nfs/dbraw/zinc/13/06/18/463130618.db2.gz FURJAZRNZGJISY-CQSZACIVSA-N 0 3 343.431 2.499 20 5 EEBDHN CN(CCOc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712009 463169187 /nfs/dbraw/zinc/16/91/87/463169187.db2.gz UZKLJVOIRWTXBB-MRXNPFEDSA-N 0 3 346.383 2.345 20 5 EEBDHN CN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000056191928 463382794 /nfs/dbraw/zinc/38/27/94/463382794.db2.gz NNQWFOJPUCJPSO-UHFFFAOYSA-N 0 3 346.362 2.178 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000041630849 463499868 /nfs/dbraw/zinc/49/98/68/463499868.db2.gz SACRTYSPTNAODI-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC(C)SCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568621688 468363810 /nfs/dbraw/zinc/36/38/10/468363810.db2.gz CBXUGLCCHBMBIG-UHFFFAOYSA-N 0 3 332.447 2.100 20 5 EEBDHN C[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559071 463615438 /nfs/dbraw/zinc/61/54/38/463615438.db2.gz PXTANXFWUVWGNM-DOMZBBRYSA-N 0 3 332.404 2.439 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000170713192 463698921 /nfs/dbraw/zinc/69/89/21/463698921.db2.gz MYOIUTXDKQNVGB-HNNXBMFYSA-N 0 3 332.404 2.012 20 5 EEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000261723530 463840454 /nfs/dbraw/zinc/84/04/54/463840454.db2.gz QYBMLYBACIRLTD-KRWDZBQOSA-N 0 3 325.368 2.141 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171447438 463865488 /nfs/dbraw/zinc/86/54/88/463865488.db2.gz SIIZASJECIBBPN-QGZVFWFLSA-N 0 3 346.431 2.484 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000277130201 463883379 /nfs/dbraw/zinc/88/33/79/463883379.db2.gz TVJMLAHSWQRSKJ-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447013 463888195 /nfs/dbraw/zinc/88/81/95/463888195.db2.gz KNQZLXANVLJILC-QWRGUYRKSA-N 0 3 338.383 2.166 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283623113 463947472 /nfs/dbraw/zinc/94/74/72/463947472.db2.gz STHOLZSQMXGNIJ-CQSZACIVSA-N 0 3 348.447 2.483 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262225945 463977814 /nfs/dbraw/zinc/97/78/14/463977814.db2.gz NGMCBKNANIEXTD-DLBZAZTESA-N 0 3 325.368 2.091 20 5 EEBDHN COc1cc(CNCCCn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000263654724 464141553 /nfs/dbraw/zinc/14/15/53/464141553.db2.gz FNHQRIFWTFFQRH-UHFFFAOYSA-N 0 3 334.376 2.297 20 5 EEBDHN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292278304 464183245 /nfs/dbraw/zinc/18/32/45/464183245.db2.gz MAUSNMYINJPTEH-GFCCVEGCSA-N 0 3 332.404 2.004 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000292512098 464258087 /nfs/dbraw/zinc/25/80/87/464258087.db2.gz YDLLYZBIVUVOFY-CQSZACIVSA-N 0 3 331.416 2.470 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000264600384 464389670 /nfs/dbraw/zinc/38/96/70/464389670.db2.gz NGVUAZYKJPMLEH-INIZCTEOSA-N 0 3 346.431 2.402 20 5 EEBDHN NC[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238041029 464424022 /nfs/dbraw/zinc/42/40/22/464424022.db2.gz IKPKJYQKEUTAMF-CQSZACIVSA-N 0 3 335.407 2.104 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(C3CCOCC3)CC2)cc1 ZINC000175466429 464555822 /nfs/dbraw/zinc/55/58/22/464555822.db2.gz OUSJTBHTEXFDGI-UHFFFAOYSA-N 0 3 349.431 2.160 20 5 EEBDHN CCC[C@@]1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285478016 464580553 /nfs/dbraw/zinc/58/05/53/464580553.db2.gz HWSJUGOFCLKVHZ-MRXNPFEDSA-N 0 3 337.376 2.091 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(N3CCc4ccccc43)CC2)c1 ZINC000282016116 464669807 /nfs/dbraw/zinc/66/98/07/464669807.db2.gz KAMVUGHEGZPDAR-UHFFFAOYSA-N 0 3 341.415 2.318 20 5 EEBDHN Cc1cc(OCC(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593884163 468420085 /nfs/dbraw/zinc/42/00/85/468420085.db2.gz UGVORTPPPGQPQW-UHFFFAOYSA-N 0 3 335.404 2.226 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266350119 464772115 /nfs/dbraw/zinc/77/21/15/464772115.db2.gz WXBDNPSUHAYINM-SNVBAGLBSA-N 0 3 331.294 2.438 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192131301 464871856 /nfs/dbraw/zinc/87/18/56/464871856.db2.gz FEUKSIMVLJSMCD-LSDHHAIUSA-N 0 3 338.314 2.189 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352816667 465558983 /nfs/dbraw/zinc/55/89/83/465558983.db2.gz PVDBQKCYYGTBAT-NRUUGDAUSA-N 0 3 339.417 2.272 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519823 465649097 /nfs/dbraw/zinc/64/90/97/465649097.db2.gz GCTFGLMHVGUDJW-PWSUYJOCSA-N 0 3 329.303 2.283 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](Oc2ccccc2)C1 ZINC000362466458 465761002 /nfs/dbraw/zinc/76/10/02/465761002.db2.gz OLOMJAXHEINZQQ-QGZVFWFLSA-N 0 3 343.383 2.300 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000338027510 465761485 /nfs/dbraw/zinc/76/14/85/465761485.db2.gz JEBJZBNWQAWZFT-MGPQQGTHSA-N 0 3 334.420 2.384 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361424061 465983005 /nfs/dbraw/zinc/98/30/05/465983005.db2.gz FPTAEDYZGHJOEA-QGZVFWFLSA-N 0 3 336.388 2.244 20 5 EEBDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237518 466462520 /nfs/dbraw/zinc/46/25/20/466462520.db2.gz HKWRAPCIHHVSRG-MKBNYLNASA-N 0 3 335.379 2.390 20 5 EEBDHN CC[C@H](NC(=O)[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591669270 468500381 /nfs/dbraw/zinc/50/03/81/468500381.db2.gz MWSLWJLCWZMQBB-OLZOCXBDSA-N 0 3 327.331 2.407 20 5 EEBDHN CC(C)N(C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318983634 466593513 /nfs/dbraw/zinc/59/35/13/466593513.db2.gz KDIQBSGETISHNR-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN C[C@@H]1COCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372925136 466639142 /nfs/dbraw/zinc/63/91/42/466639142.db2.gz JNUABBPHJOAKMG-NSHDSACASA-N 0 3 325.340 2.031 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000369775308 466752592 /nfs/dbraw/zinc/75/25/92/466752592.db2.gz XHTWEKOJTQIVIA-MSOLQXFVSA-N 0 3 339.395 2.351 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411726125 466887931 /nfs/dbraw/zinc/88/79/31/466887931.db2.gz XMMWKMCWUUMFOL-OKILXGFUSA-N 0 3 334.420 2.338 20 5 EEBDHN CO[C@](C)([C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972117 466953546 /nfs/dbraw/zinc/95/35/46/466953546.db2.gz PLFGNOCSNKKPHH-KPZWWZAWSA-N 0 3 347.415 2.277 20 5 EEBDHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000425766858 467131402 /nfs/dbraw/zinc/13/14/02/467131402.db2.gz KFBLVSNSJMCHNX-DUVNUKRYSA-N 0 3 332.404 2.391 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000377954102 467170543 /nfs/dbraw/zinc/17/05/43/467170543.db2.gz NICSZXVPSDCPTL-RDJZCZTQSA-N 0 3 330.388 2.379 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)CNCC2 ZINC000378398487 467290873 /nfs/dbraw/zinc/29/08/73/467290873.db2.gz SATRHQSCDMTHFV-UHFFFAOYSA-N 0 3 326.356 2.207 20 5 EEBDHN CC1(C)CCCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000443960115 467581477 /nfs/dbraw/zinc/58/14/77/467581477.db2.gz JJXGFBDTTCDVGW-UHFFFAOYSA-N 0 3 329.404 3.072 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CCN(C)[C@@H](C)C1 ZINC000450351792 467833424 /nfs/dbraw/zinc/83/34/24/467833424.db2.gz ABSIFOOKRVNYAR-RYUDHWBXSA-N 0 3 330.388 2.468 20 5 EEBDHN CO[C@@H]1COCC[C@H]1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000450700228 467894342 /nfs/dbraw/zinc/89/43/42/467894342.db2.gz LWVVCKCZBUKVEM-YVEFUNNKSA-N 0 3 331.372 2.337 20 5 EEBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408268 467905262 /nfs/dbraw/zinc/90/52/62/467905262.db2.gz AZVQLZJUVTUAMU-UKRRQHHQSA-N 0 3 341.795 2.327 20 5 EEBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283033 468042073 /nfs/dbraw/zinc/04/20/73/468042073.db2.gz SEIYFAGHUSSHSO-LKFCYVNXSA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@H](CO)N1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487764627 468052936 /nfs/dbraw/zinc/05/29/36/468052936.db2.gz YRPXRIHJZYIGPC-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN([C@@H]4CCC[C@@H]4O)CC3)ccnc21 ZINC000590079880 468213090 /nfs/dbraw/zinc/21/30/90/468213090.db2.gz VJCFGSKHKKCQQP-WBVHZDCISA-N 0 3 342.399 2.178 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195752 468508663 /nfs/dbraw/zinc/50/86/63/468508663.db2.gz IUXGGXUNJMDRLG-CABCVRRESA-N 0 3 333.388 2.350 20 5 EEBDHN CN(C)c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728916 468511979 /nfs/dbraw/zinc/51/19/79/468511979.db2.gz YRMSXZBWSVRFDR-MRXNPFEDSA-N 0 3 345.399 2.190 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597715577 468649117 /nfs/dbraw/zinc/64/91/17/468649117.db2.gz MVHZIKRNGWBBKL-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601144297 468759257 /nfs/dbraw/zinc/75/92/57/468759257.db2.gz ILXDUFOJSPFEJQ-AWEZNQCLSA-N 0 3 343.431 2.003 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000595295965 468803513 /nfs/dbraw/zinc/80/35/13/468803513.db2.gz IQAPTPWYJYJKOY-INIZCTEOSA-N 0 3 337.395 2.421 20 5 EEBDHN CNc1ccc(C(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261902 468810085 /nfs/dbraw/zinc/81/00/85/468810085.db2.gz IDRQIWSIUIEFFV-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000598342439 468837173 /nfs/dbraw/zinc/83/71/73/468837173.db2.gz NJVXVWLILAFQLR-CQSZACIVSA-N 0 3 330.388 2.150 20 5 EEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCO[C@H]21 ZINC000584323117 468843555 /nfs/dbraw/zinc/84/35/55/468843555.db2.gz YSVYXUVDRJAEDY-KLHDSHLOSA-N 0 3 345.399 2.103 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595496787 468875816 /nfs/dbraw/zinc/87/58/16/468875816.db2.gz IMSFWPOKRYZJDU-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543087 468894848 /nfs/dbraw/zinc/89/48/48/468894848.db2.gz IPAJDWWIUGUZOH-SFHVURJKSA-N 0 3 343.358 2.363 20 5 EEBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639249 468983183 /nfs/dbraw/zinc/98/31/83/468983183.db2.gz IESIDJKUMMKLIJ-NOZJJQNGSA-N 0 3 334.294 2.243 20 5 EEBDHN CCN(CCOc1ccccc1OC)CCn1cc([N+](=O)[O-])cn1 ZINC000595883904 469063546 /nfs/dbraw/zinc/06/35/46/469063546.db2.gz DBIKOPUKRIBLLU-UHFFFAOYSA-N 0 3 334.376 2.201 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2ccccc2)CCOCC1 ZINC000602791872 469078176 /nfs/dbraw/zinc/07/81/76/469078176.db2.gz WTVCDZVPXLQNHP-UHFFFAOYSA-N 0 3 330.388 2.395 20 5 EEBDHN COc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599002271 469084647 /nfs/dbraw/zinc/08/46/47/469084647.db2.gz GKEVJJVHSTYQQR-DYVFJYSZSA-N 0 3 345.355 2.324 20 5 EEBDHN CCC(CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N(C)C ZINC000596071110 469140005 /nfs/dbraw/zinc/14/00/05/469140005.db2.gz WCTVJSJRSGETGH-OAHLLOKOSA-N 0 3 347.419 3.022 20 5 EEBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000573713910 469192577 /nfs/dbraw/zinc/19/25/77/469192577.db2.gz QPKWEQRWUOABLJ-AWEZNQCLSA-N 0 3 342.399 2.457 20 5 EEBDHN CC(C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000611395234 469241275 /nfs/dbraw/zinc/24/12/75/469241275.db2.gz FZLADLSTFINYNR-INIZCTEOSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc(C)cc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612029839 469369592 /nfs/dbraw/zinc/36/95/92/469369592.db2.gz FXXNWGDRBKNEQK-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN CN(CCOC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092306 469391600 /nfs/dbraw/zinc/39/16/00/469391600.db2.gz INGOSYBUHGLPLC-CYBMUJFWSA-N 0 3 326.393 2.081 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168319 533987609 /nfs/dbraw/zinc/98/76/09/533987609.db2.gz AJLHQHPZYINYST-AEAUEXCSSA-N 0 3 333.388 2.469 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000192496918 534888648 /nfs/dbraw/zinc/88/86/48/534888648.db2.gz PLLFADBONLUTKI-VXGBXAGGSA-N 0 3 326.422 2.231 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173992838 528259723 /nfs/dbraw/zinc/25/97/23/528259723.db2.gz NNSJALBHQODHIZ-CYBMUJFWSA-N 0 3 341.433 2.008 20 5 EEBDHN CCN1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000194629748 535535708 /nfs/dbraw/zinc/53/57/08/535535708.db2.gz FBYMOLUUFYDPCB-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN Cn1ccnc1[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028583 577589232 /nfs/dbraw/zinc/58/92/32/577589232.db2.gz GOUOSTQFJKPMLP-GDBMZVCRSA-N 0 3 330.388 2.241 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638871 577979343 /nfs/dbraw/zinc/97/93/43/577979343.db2.gz LZHXMKBOCLDCBI-IEBWSBKVSA-N 0 3 341.411 2.492 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736100181 578179700 /nfs/dbraw/zinc/17/97/00/578179700.db2.gz BUSQWUFCTXROHQ-GFCCVEGCSA-N 0 3 336.348 2.107 20 5 EEBDHN COc1ccc(C[C@@](C)(CO)NCc2cccnc2[N+](=O)[O-])cc1 ZINC000933430332 676671500 /nfs/dbraw/zinc/67/15/00/676671500.db2.gz NIDZACKDJSKEQP-KRWDZBQOSA-N 0 3 331.372 2.082 20 5 EEBDHN COc1cccc(CN2CCC(Nc3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000891905670 676898231 /nfs/dbraw/zinc/89/82/31/676898231.db2.gz CQZKXYIYDYPLJV-UHFFFAOYSA-N 0 3 345.403 2.413 20 5 EEBDHN CC(C)N1CC[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892036065 677932467 /nfs/dbraw/zinc/93/24/67/677932467.db2.gz RDIWZUJIWZQXOQ-GFCCVEGCSA-N 0 3 330.388 2.341 20 5 EEBDHN COc1cc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000178860621 681255091 /nfs/dbraw/zinc/25/50/91/681255091.db2.gz NXNLDKAWDXQHLM-INIZCTEOSA-N 0 3 332.356 2.474 20 5 EEBDHN C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895245610 684372526 /nfs/dbraw/zinc/37/25/26/684372526.db2.gz GVYYFUCJRCWUQB-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CN(C)CCN1C ZINC000895249728 684376856 /nfs/dbraw/zinc/37/68/56/684376856.db2.gz XBWUQAOZCWXERS-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN CN(C[C@@H](O)Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649070 1199643036 /nfs/dbraw/zinc/64/30/36/1199643036.db2.gz IUSGUHYCRGLOSS-ZWKOTPCHSA-N 0 3 330.384 2.164 20 5 EEBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1F ZINC000813104381 1201097895 /nfs/dbraw/zinc/09/78/95/1201097895.db2.gz ZLPFHFVDNWSSGA-SNVBAGLBSA-N 0 3 336.323 2.352 20 5 EEBDHN N[C@H](CC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153862 1202243558 /nfs/dbraw/zinc/24/35/58/1202243558.db2.gz UEFZCWMEUWLIMX-MRXNPFEDSA-N 0 3 333.388 2.092 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932375115 1207593246 /nfs/dbraw/zinc/59/32/46/1207593246.db2.gz JSNDPTBZOQDKKW-MAUKXSAKSA-N 0 3 343.383 2.470 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1C1OCCO1 ZINC000933904609 1207866720 /nfs/dbraw/zinc/86/67/20/1207866720.db2.gz ZCNKHPNWSYMBLZ-HNNXBMFYSA-N 0 3 349.387 2.069 20 5 EEBDHN CCN(CCCNC(=O)Cc1nc[nH]c1C)c1ccccc1[N+](=O)[O-] ZINC001095899481 1215751404 /nfs/dbraw/zinc/75/14/04/1215751404.db2.gz FIZJRCUXDVSRAP-UHFFFAOYSA-N 0 3 345.403 2.202 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096110544 1234952050 /nfs/dbraw/zinc/95/20/50/1234952050.db2.gz GGYFQDKLTFNVGI-UHFFFAOYSA-N 0 3 348.447 2.362 20 5 EEBDHN CC(C)(F)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048640844 1238166358 /nfs/dbraw/zinc/16/63/58/1238166358.db2.gz NHBKFRAOQZIFIK-OKILXGFUSA-N 0 3 335.379 2.233 20 5 EEBDHN CC(C)N1CCN(c2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000851126283 1277482374 /nfs/dbraw/zinc/48/23/74/1277482374.db2.gz CJDDFRLEYCAPMG-UHFFFAOYSA-N 0 3 349.431 2.429 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000867282494 1285251039 /nfs/dbraw/zinc/25/10/39/1285251039.db2.gz OKUZDEWBWJKLSN-LLVKDONJSA-N 0 3 347.412 2.049 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[N@H+](C)C(C)C)cc1F ZINC000867282494 1285251049 /nfs/dbraw/zinc/25/10/49/1285251049.db2.gz OKUZDEWBWJKLSN-LLVKDONJSA-N 0 3 347.412 2.049 20 5 EEBDHN CSCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222325284 1299479490 /nfs/dbraw/zinc/47/94/90/1299479490.db2.gz LSLHDXRYTAIUAX-UHFFFAOYSA-N 0 3 337.445 2.286 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)C[C@H]1N2C ZINC001222770885 1299846217 /nfs/dbraw/zinc/84/62/17/1299846217.db2.gz OCDJSUPCPVTPDM-MWDXBVQZSA-N 0 3 334.372 2.278 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC001119343685 1309054195 /nfs/dbraw/zinc/05/41/95/1309054195.db2.gz LHVPOFWFCIPTLV-NVXWUHKLSA-N 0 3 342.399 2.178 20 5 EEBDHN COc1ccncc1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249343070 1317057040 /nfs/dbraw/zinc/05/70/40/1317057040.db2.gz VDEOUHAFKHGXPW-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN CCc1ocnc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156029669 1317839885 /nfs/dbraw/zinc/83/98/85/1317839885.db2.gz PUZUMFBYSAFVLK-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN COc1nc(-n2cncc2CNCc2ccccc2)ccc1[N+](=O)[O-] ZINC001156482910 1318032966 /nfs/dbraw/zinc/03/29/66/1318032966.db2.gz ZQAPUZGUBODRCH-UHFFFAOYSA-N 0 3 339.355 2.474 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CNCCO1 ZINC001159501438 1319844728 /nfs/dbraw/zinc/84/47/28/1319844728.db2.gz IXYWNBGQCGXTOV-SWLSCSKDSA-N 0 3 328.372 2.446 20 5 EEBDHN Nc1nc(NCC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161245976 1320432468 /nfs/dbraw/zinc/43/24/68/1320432468.db2.gz IWLNWYIZVWKANE-UHFFFAOYSA-N 0 3 342.403 2.291 20 5 EEBDHN COC(=O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccc(O)cc1 ZINC001163500291 1321141730 /nfs/dbraw/zinc/14/17/30/1321141730.db2.gz OOVYTIJUEDEGOH-MRXNPFEDSA-N 0 3 343.339 2.230 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ocnc1C1CC1 ZINC001166599041 1321747256 /nfs/dbraw/zinc/74/72/56/1321747256.db2.gz BUDLXVHGZDXMQZ-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001263416174 1322478050 /nfs/dbraw/zinc/47/80/50/1322478050.db2.gz YTWTWECRWZFZLU-AWEZNQCLSA-N 0 3 338.456 2.050 20 5 EEBDHN C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126245 1351852899 /nfs/dbraw/zinc/85/28/99/1351852899.db2.gz LUDLLGUYQRHJCO-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126245 1351852904 /nfs/dbraw/zinc/85/29/04/1351852904.db2.gz LUDLLGUYQRHJCO-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126246 1351853121 /nfs/dbraw/zinc/85/31/21/1351853121.db2.gz LUDLLGUYQRHJCO-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126246 1351853124 /nfs/dbraw/zinc/85/31/24/1351853124.db2.gz LUDLLGUYQRHJCO-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1)C[NH+]1CCOCC1 ZINC001344309309 1337389260 /nfs/dbraw/zinc/38/92/60/1337389260.db2.gz FBWIOTKGXQWESU-GFCCVEGCSA-N 0 3 347.371 2.201 20 5 EEBDHN CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590688839 1349389653 /nfs/dbraw/zinc/38/96/53/1349389653.db2.gz XSMDWDDQFXVUKV-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590688839 1349389658 /nfs/dbraw/zinc/38/96/58/1349389658.db2.gz XSMDWDDQFXVUKV-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262132 1350673906 /nfs/dbraw/zinc/67/39/06/1350673906.db2.gz AJGCDPHBLXVRSE-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262132 1350673909 /nfs/dbraw/zinc/67/39/09/1350673909.db2.gz AJGCDPHBLXVRSE-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(C)(C)[NH2+]1 ZINC001603765731 1350761225 /nfs/dbraw/zinc/76/12/25/1350761225.db2.gz WOAPBLATILOMKC-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(C)(C)[NH2+]1 ZINC001603765731 1350761228 /nfs/dbraw/zinc/76/12/28/1350761228.db2.gz WOAPBLATILOMKC-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063338 1350844520 /nfs/dbraw/zinc/84/45/20/1350844520.db2.gz YDYQGLQHBFCQPN-HIFRSBDPSA-N 0 3 346.391 2.212 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063338 1350844522 /nfs/dbraw/zinc/84/45/22/1350844522.db2.gz YDYQGLQHBFCQPN-HIFRSBDPSA-N 0 3 346.391 2.212 20 5 EEBDHN O=C(CCC1CCOCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167583720 760448216 /nfs/dbraw/zinc/44/82/16/760448216.db2.gz FJUXMIVUONPSRU-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN CC(C)(C)n1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001128579675 783256817 /nfs/dbraw/zinc/25/68/17/783256817.db2.gz XNPQYXXMQAOPQS-UHFFFAOYSA-N 0 3 345.403 2.066 20 5 EEBDHN O=c1[nH]c2c(cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819060984 785380530 /nfs/dbraw/zinc/38/05/30/785380530.db2.gz MXVHAXSKMCOFOI-INIZCTEOSA-N 0 3 329.356 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccnc(OC(F)F)c2)c1 ZINC000819298033 785489611 /nfs/dbraw/zinc/48/96/11/785489611.db2.gz ARHBYWYJUURNGP-ZDUSSCGKSA-N 0 3 339.298 2.414 20 5 EEBDHN CCN1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910270447 786597367 /nfs/dbraw/zinc/59/73/67/786597367.db2.gz MTTHNMPEYKNVCH-NSHDSACASA-N 0 3 339.367 2.299 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107392087 787106750 /nfs/dbraw/zinc/10/67/50/787106750.db2.gz SZUTXGJKAZJANL-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN Cc1c(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845883291 789974460 /nfs/dbraw/zinc/97/44/60/789974460.db2.gz RLCZDISPYGHVAA-MEDUHNTESA-N 0 3 335.335 2.360 20 5 EEBDHN CCCc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001147711952 791921705 /nfs/dbraw/zinc/92/17/05/791921705.db2.gz GXVLPVBEXXNGDN-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN CC(C)Cc1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001127267256 795068531 /nfs/dbraw/zinc/06/85/31/795068531.db2.gz VKTWNXQRAGDLQU-UHFFFAOYSA-N 0 3 345.403 2.036 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN([C@H]3CCOC3)CC1)CC2 ZINC001172907475 797133447 /nfs/dbraw/zinc/13/34/47/797133447.db2.gz FHKMPCJUPCHGRS-MJGOQNOKSA-N 0 3 345.443 2.249 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095197688 797482450 /nfs/dbraw/zinc/48/24/50/797482450.db2.gz DAPWBXMXHLCXRT-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CC(C)CC(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177783855 799120672 /nfs/dbraw/zinc/12/06/72/799120672.db2.gz JOINKNPZOVRQAY-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN Cc1ncoc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086055857 802025606 /nfs/dbraw/zinc/02/56/06/802025606.db2.gz NTGQDTCAVYCPJU-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN COCCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155510736 802589819 /nfs/dbraw/zinc/58/98/19/802589819.db2.gz ICGOFFFSWFGWOQ-UHFFFAOYSA-N 0 3 329.422 2.069 20 5 EEBDHN CCOC(=O)[C@@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345025 809915976 /nfs/dbraw/zinc/91/59/76/809915976.db2.gz GLNDUYMURQXPLI-TZMCWYRMSA-N 0 3 336.388 2.419 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccnc1C1CC1 ZINC001130825311 812072606 /nfs/dbraw/zinc/07/26/06/812072606.db2.gz FSXDZGNWQIOSLL-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN CC(C)(C)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193972346 240384883 /nfs/dbraw/zinc/38/48/83/240384883.db2.gz CTBBVDYXDBHQAR-UHFFFAOYSA-N 0 3 341.433 2.136 20 5 EEBDHN C[C@H]1CCN[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223109 240407631 /nfs/dbraw/zinc/40/76/31/240407631.db2.gz DVTPLBUKLBAVKA-GUYCJALGSA-N 0 3 347.415 2.353 20 5 EEBDHN COc1ncccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542060 242287679 /nfs/dbraw/zinc/28/76/79/242287679.db2.gz NWMPROWZSIYKLN-UONOGXRCSA-N 0 3 331.376 2.468 20 5 EEBDHN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237553321 242686570 /nfs/dbraw/zinc/68/65/70/242686570.db2.gz JEEFNIFGFNRJHD-STQMWFEESA-N 0 3 332.404 2.017 20 5 EEBDHN CCOC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246360854 243237542 /nfs/dbraw/zinc/23/75/42/243237542.db2.gz KTRSJOJTOXETPT-GDBMZVCRSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246798486 243318773 /nfs/dbraw/zinc/31/87/73/243318773.db2.gz BTIHRTVVLJFWCG-OCCSQVGLSA-N 0 3 335.429 2.382 20 5 EEBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456041761 244137201 /nfs/dbraw/zinc/13/72/01/244137201.db2.gz ISLRWWSLTWNZTN-UHFFFAOYSA-N 0 3 349.435 2.370 20 5 EEBDHN CC[C@@H](C)N(C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264156889 246120957 /nfs/dbraw/zinc/12/09/57/246120957.db2.gz XJJHFDLZTRTQRP-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094780 246297563 /nfs/dbraw/zinc/29/75/63/246297563.db2.gz KROYPRVTWHEKOV-MOEXGYKKSA-N 0 3 335.429 2.162 20 5 EEBDHN CCN(CCC(=O)OC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092379921 218138470 /nfs/dbraw/zinc/13/84/70/218138470.db2.gz HODSELOQWCKEQQ-UHFFFAOYSA-N 0 3 346.387 2.380 20 5 EEBDHN Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017365 218186078 /nfs/dbraw/zinc/18/60/78/218186078.db2.gz ABLFFFRBXDIFPH-QGZVFWFLSA-N 0 3 333.432 2.447 20 5 EEBDHN CC[C@H](C)[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380960 220316043 /nfs/dbraw/zinc/31/60/43/220316043.db2.gz RMPFMWVJEAZMEB-BLLLJJGKSA-N 0 3 332.404 2.492 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CC2)OCCc2ccsc23)c1 ZINC000352798398 285189563 /nfs/dbraw/zinc/18/95/63/285189563.db2.gz QHYAEAJFAVUTGA-UHFFFAOYSA-N 0 3 348.428 2.417 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270474924 256139147 /nfs/dbraw/zinc/13/91/47/256139147.db2.gz MLMOXJWESQPERB-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000275962297 256391317 /nfs/dbraw/zinc/39/13/17/256391317.db2.gz KPXDAQMIJLYDJN-UHFFFAOYSA-N 0 3 344.371 2.063 20 5 EEBDHN COc1ccc(CNC2CCN(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000275991045 256393234 /nfs/dbraw/zinc/39/32/34/256393234.db2.gz JRUWRSRXYMFAML-UHFFFAOYSA-N 0 3 345.403 2.394 20 5 EEBDHN CCOc1ccc([C@@H](C)NCC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090661686 159198837 /nfs/dbraw/zinc/19/88/37/159198837.db2.gz YTTPSDWOSVQAGC-CYBMUJFWSA-N 0 3 338.404 2.433 20 5 EEBDHN CCCC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236706493 160218821 /nfs/dbraw/zinc/21/88/21/160218821.db2.gz UWVZNBZDSIBLRD-MRXNPFEDSA-N 0 3 335.404 2.482 20 5 EEBDHN CC[C@@H]1C[C@@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387434 160640113 /nfs/dbraw/zinc/64/01/13/160640113.db2.gz GAUNSEZOWQTWFB-JLSDUUJJSA-N 0 3 344.415 2.376 20 5 EEBDHN C[C@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCN1C ZINC000343607601 161150953 /nfs/dbraw/zinc/15/09/53/161150953.db2.gz VAJZXVZRNPZAHW-SMDDNHRTSA-N 0 3 332.404 2.382 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344353914 161219350 /nfs/dbraw/zinc/21/93/50/161219350.db2.gz DSGDDIVUPYDZFO-SJORKVTESA-N 0 3 333.388 2.389 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000344820915 161248435 /nfs/dbraw/zinc/24/84/35/161248435.db2.gz DJPZUHBIKULEMV-UHFFFAOYSA-N 0 3 339.392 2.026 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000370045991 166383384 /nfs/dbraw/zinc/38/33/84/166383384.db2.gz PAYRBMSHMKLJHS-OAHLLOKOSA-N 0 3 343.431 2.425 20 5 EEBDHN COc1ccc(OCCN2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404092 167035878 /nfs/dbraw/zinc/03/58/78/167035878.db2.gz VZSBFRHVOGKGMX-KBPBESRZSA-N 0 3 336.388 2.341 20 5 EEBDHN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272768727 269018340 /nfs/dbraw/zinc/01/83/40/269018340.db2.gz PTOALRWLVCZAIC-ZDUSSCGKSA-N 0 3 332.404 2.087 20 5 EEBDHN COc1ccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000272784294 269020853 /nfs/dbraw/zinc/02/08/53/269020853.db2.gz FLZGIFJZQLOYJK-LBPRGKRZSA-N 0 3 336.392 2.409 20 5 EEBDHN CCc1[nH]nc(C(=O)Nc2ccccc2CCN(C)C)c1[N+](=O)[O-] ZINC000277879371 269194395 /nfs/dbraw/zinc/19/43/95/269194395.db2.gz DREJQMOTFWPPJD-UHFFFAOYSA-N 0 3 331.376 2.237 20 5 EEBDHN O=c1c([N+](=O)[O-])cccn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278624604 269236875 /nfs/dbraw/zinc/23/68/75/269236875.db2.gz STJVLZNHABRCRO-MRXNPFEDSA-N 0 3 343.383 2.048 20 5 EEBDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399141 274024808 /nfs/dbraw/zinc/02/48/08/274024808.db2.gz RUSZIYXXHMLUDG-GOEBONIOSA-N 0 3 335.404 2.377 20 5 EEBDHN COCCN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288311731 275045020 /nfs/dbraw/zinc/04/50/20/275045020.db2.gz HPDHSEYUBZIETC-UHFFFAOYSA-N 0 3 337.405 2.122 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H](CO)CN2CCCCC2)c2ccncc21 ZINC000289146863 275101238 /nfs/dbraw/zinc/10/12/38/275101238.db2.gz OTBWFSAEIRYWSJ-ZDUSSCGKSA-N 0 3 330.388 2.402 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299458479 294747407 /nfs/dbraw/zinc/74/74/07/294747407.db2.gz XAOJCCHNTRSUNI-ZDUSSCGKSA-N 0 3 337.424 2.113 20 5 EEBDHN CS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414324618 312997319 /nfs/dbraw/zinc/99/73/19/312997319.db2.gz IZSDHQQTZSLNEX-UHFFFAOYSA-N 0 3 340.426 2.392 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440073479 315110775 /nfs/dbraw/zinc/11/07/75/315110775.db2.gz DXCASQYRKLIWKJ-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000452076893 315490270 /nfs/dbraw/zinc/49/02/70/315490270.db2.gz BUKWVRRNUISDJC-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CNc1nc(C(=O)Nc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000578296131 320305348 /nfs/dbraw/zinc/30/53/48/320305348.db2.gz SMXAHSBWQXYHMH-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1 ZINC000583436127 324662680 /nfs/dbraw/zinc/66/26/80/324662680.db2.gz SFEWRNWOIWSBCM-OAHLLOKOSA-N 0 3 332.356 2.003 20 5 EEBDHN CC(C)N(CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000354619518 465059302 /nfs/dbraw/zinc/05/93/02/465059302.db2.gz GWPRIZSXRSDVEX-UHFFFAOYSA-N 0 3 343.449 2.334 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC000341528880 465216953 /nfs/dbraw/zinc/21/69/53/465216953.db2.gz GENYISKFJOBZSR-RYUDHWBXSA-N 0 3 336.392 2.451 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000355376568 465245117 /nfs/dbraw/zinc/24/51/17/465245117.db2.gz WUUBLGXMRGJABM-UHFFFAOYSA-N 0 3 330.388 2.342 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000337251406 465268100 /nfs/dbraw/zinc/26/81/00/465268100.db2.gz NQMHWMHCFDQRCQ-UHFFFAOYSA-N 0 3 342.399 2.123 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075108735 462676474 /nfs/dbraw/zinc/67/64/74/462676474.db2.gz YNLZBYAPTGSAHK-UHFFFAOYSA-N 0 3 334.420 2.121 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089644495 462702393 /nfs/dbraw/zinc/70/23/93/462702393.db2.gz YVOJXAMJBZKJQQ-NVXWUHKLSA-N 0 3 342.399 2.346 20 5 EEBDHN Cc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644992 462703541 /nfs/dbraw/zinc/70/35/41/462703541.db2.gz LXBKSPCWQHSVBW-CVEARBPZSA-N 0 3 342.399 2.346 20 5 EEBDHN CCC(=O)N[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130379123 462752991 /nfs/dbraw/zinc/75/29/91/462752991.db2.gz DGNBELNPCIDTCS-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552511 462797185 /nfs/dbraw/zinc/79/71/85/462797185.db2.gz VLGSFNYTEHRONN-GJZGRUSLSA-N 0 3 335.404 2.036 20 5 EEBDHN CCN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000065612803 462811474 /nfs/dbraw/zinc/81/14/74/462811474.db2.gz IISKJJHHWAMYTR-UHFFFAOYSA-N 0 3 330.388 2.430 20 5 EEBDHN COC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026219665 463155796 /nfs/dbraw/zinc/15/57/96/463155796.db2.gz LZXYJQFJUMSNAY-UHFFFAOYSA-N 0 3 349.387 2.117 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000027582280 463196549 /nfs/dbraw/zinc/19/65/49/463196549.db2.gz WHFVSIIPDPKBKP-KRWDZBQOSA-N 0 3 327.384 2.498 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000170774776 463704166 /nfs/dbraw/zinc/70/41/66/463704166.db2.gz IHBQSNVGNYCSKW-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414398 463858885 /nfs/dbraw/zinc/85/88/85/463858885.db2.gz PAEGFSAQKTZRRW-GHMZBOCLSA-N 0 3 335.360 2.430 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000283932164 464046776 /nfs/dbraw/zinc/04/67/76/464046776.db2.gz JPRREEWMKIUCTP-QMMMGPOBSA-N 0 3 344.209 2.346 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186715526 464056634 /nfs/dbraw/zinc/05/66/34/464056634.db2.gz SSEPJAMPDWKAJN-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000279692415 464128086 /nfs/dbraw/zinc/12/80/86/464128086.db2.gz GEUZFPIZYTXDSR-OAHLLOKOSA-N 0 3 331.372 2.495 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263768473 464183320 /nfs/dbraw/zinc/18/33/20/464183320.db2.gz RXNRJJYXUUHNMT-OKILXGFUSA-N 0 3 334.420 2.315 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000263856328 464217629 /nfs/dbraw/zinc/21/76/29/464217629.db2.gz WJHTXOQJAGIKCI-OAHLLOKOSA-N 0 3 333.388 2.060 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280885585 464264814 /nfs/dbraw/zinc/26/48/14/464264814.db2.gz UOYZZHOYUOUMRT-AWEZNQCLSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CN1 ZINC000237482923 464327782 /nfs/dbraw/zinc/32/77/82/464327782.db2.gz UJHOGZVNTGVJJD-RKDXNWHRSA-N 0 3 342.193 2.180 20 5 EEBDHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000173937490 464334637 /nfs/dbraw/zinc/33/46/37/464334637.db2.gz SXEALDTVQONPRF-GFCCVEGCSA-N 0 3 346.391 2.236 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC000271769938 464377901 /nfs/dbraw/zinc/37/79/01/464377901.db2.gz IKJGLMAFBCAMPX-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000343054819 465473106 /nfs/dbraw/zinc/47/31/06/465473106.db2.gz PYTPODLEHUZWPM-AWEZNQCLSA-N 0 3 345.403 2.776 20 5 EEBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186502 464452447 /nfs/dbraw/zinc/45/24/47/464452447.db2.gz PUPHCVRGPZMTID-MFKMUULPSA-N 0 3 333.388 2.267 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000298701975 465476205 /nfs/dbraw/zinc/47/62/05/465476205.db2.gz SHPIFSGMSUSEKC-CYBMUJFWSA-N 0 3 343.343 2.097 20 5 EEBDHN Cc1cc(OCC(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000281453521 464460304 /nfs/dbraw/zinc/46/03/04/464460304.db2.gz REGATBKFMNRBJM-AWEZNQCLSA-N 0 3 335.404 2.082 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CCN(C)C(C)(C)C1 ZINC000281738170 464565940 /nfs/dbraw/zinc/56/59/40/464565940.db2.gz WURYKMYVHVIHTI-UHFFFAOYSA-N 0 3 336.436 2.179 20 5 EEBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265806731 464693197 /nfs/dbraw/zinc/69/31/97/464693197.db2.gz SAAUZNRCWNWBKA-HOTGVXAUSA-N 0 3 342.399 2.285 20 5 EEBDHN COC[C@]1(C(=O)OC)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295142949 464721445 /nfs/dbraw/zinc/72/14/45/464721445.db2.gz ZWEKZXMIWDTQKT-UABRLCRWSA-N 0 3 334.372 2.120 20 5 EEBDHN Cc1cc(OCC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285977072 464762664 /nfs/dbraw/zinc/76/26/64/464762664.db2.gz WXFWFVHZAKFOEH-HUUCEWRRSA-N 0 3 347.415 2.367 20 5 EEBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276294 464772080 /nfs/dbraw/zinc/77/20/80/464772080.db2.gz AZKPXSRDRNLLBU-KGLIPLIRSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000248842192 464808504 /nfs/dbraw/zinc/80/85/04/464808504.db2.gz GIEWZFCDTRYDME-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295538793 464874465 /nfs/dbraw/zinc/87/44/65/464874465.db2.gz KJQBQHFNJPNVLI-AWEZNQCLSA-N 0 3 347.415 2.306 20 5 EEBDHN CCOC(=O)c1ccnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286509093 464943311 /nfs/dbraw/zinc/94/33/11/464943311.db2.gz YVWCFVYTPZODTQ-OLZOCXBDSA-N 0 3 348.403 2.230 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177178106 464950348 /nfs/dbraw/zinc/95/03/48/464950348.db2.gz GGUUFIAQVLUBEQ-RYUDHWBXSA-N 0 3 335.429 2.428 20 5 EEBDHN CCN1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282855424 464975258 /nfs/dbraw/zinc/97/52/58/464975258.db2.gz UWUUKUATMHIFBT-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN CCOc1cc(CN[C@@H]2CCC(=O)NC23CCC3)ccc1[N+](=O)[O-] ZINC000282910839 464998373 /nfs/dbraw/zinc/99/83/73/464998373.db2.gz XSBYFPNPUYQACY-OAHLLOKOSA-N 0 3 333.388 2.284 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000359816068 465492720 /nfs/dbraw/zinc/49/27/20/465492720.db2.gz VWFBFEGHGKKTPX-UKRRQHHQSA-N 0 3 342.399 2.326 20 5 EEBDHN CCN1CCN([C@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352358186 465519536 /nfs/dbraw/zinc/51/95/36/465519536.db2.gz WFQDLDJFNUAFKM-CQSZACIVSA-N 0 3 343.431 2.581 20 5 EEBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000298947395 465548771 /nfs/dbraw/zinc/54/87/71/465548771.db2.gz FACFYOLSXANICJ-ZIAGYGMSSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033724 465930427 /nfs/dbraw/zinc/93/04/27/465930427.db2.gz AQKWQYLUFJPBTF-OAHLLOKOSA-N 0 3 337.420 2.146 20 5 EEBDHN CC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(CC)CC ZINC000346232133 466012884 /nfs/dbraw/zinc/01/28/84/466012884.db2.gz YSMQITLPOUGBDY-DZGCQCFKSA-N 0 3 349.435 2.123 20 5 EEBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202877 466188128 /nfs/dbraw/zinc/18/81/28/466188128.db2.gz ZUJDZHIMZGATPR-DOTOQJQBSA-N 0 3 332.448 2.365 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774291 466240252 /nfs/dbraw/zinc/24/02/52/466240252.db2.gz GGXGEYTZYWETBJ-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774291 466240260 /nfs/dbraw/zinc/24/02/60/466240260.db2.gz GGXGEYTZYWETBJ-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000341024643 466523252 /nfs/dbraw/zinc/52/32/52/466523252.db2.gz BVAFCMUYQLKKNO-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN Cc1ccnc(NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000341045264 466538066 /nfs/dbraw/zinc/53/80/66/466538066.db2.gz QQURFUYZYGAODU-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN COC(=O)[C@H](O)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368487 466594388 /nfs/dbraw/zinc/59/43/88/466594388.db2.gz YHKUJRQKVJTBMC-OJNOIJSXSA-N 0 3 348.399 2.244 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591678372 468501586 /nfs/dbraw/zinc/50/15/86/468501586.db2.gz RKOUVJPQQWOBSE-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CC(=O)c1ccc(N[C@@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267210 466723254 /nfs/dbraw/zinc/72/32/54/466723254.db2.gz OJDSTUOHXILVDO-OAHLLOKOSA-N 0 3 346.431 2.378 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1C ZINC000413124912 467174345 /nfs/dbraw/zinc/17/43/45/467174345.db2.gz DTRPMUFVYKJCBR-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000420468529 467418077 /nfs/dbraw/zinc/41/80/77/467418077.db2.gz OFGNBCMOJNFCQX-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN CC/C=C\CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971421 467523155 /nfs/dbraw/zinc/52/31/55/467523155.db2.gz ICGADPVZTJJCQX-PLNGDYQASA-N 0 3 341.433 2.161 20 5 EEBDHN CN(CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000437973228 467558915 /nfs/dbraw/zinc/55/89/15/467558915.db2.gz GDFWEKDFFUKZJD-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496572200 467654624 /nfs/dbraw/zinc/65/46/24/467654624.db2.gz PMLNDYFYYRAOLH-RYUDHWBXSA-N 0 3 330.381 2.375 20 5 EEBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN(C2CC2)C1 ZINC000450547245 467867566 /nfs/dbraw/zinc/86/75/66/467867566.db2.gz MTAWUZLMCLIARX-LBPRGKRZSA-N 0 3 327.388 2.459 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NC3CCN(C4CCC4)CC3)n2)cc1 ZINC000450884028 467925810 /nfs/dbraw/zinc/92/58/10/467925810.db2.gz YVEWOGPYJLVNLC-UHFFFAOYSA-N 0 3 343.387 3.074 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493953723 468009433 /nfs/dbraw/zinc/00/94/33/468009433.db2.gz WJZIVHQDXVSXTK-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN CN(Cc1ccccc1)C[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000591729125 468512249 /nfs/dbraw/zinc/51/22/49/468512249.db2.gz ZFNIKNOCIIQYRS-GOSISDBHSA-N 0 3 329.400 2.177 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC12CCCN1CCC2 ZINC000597588444 468609504 /nfs/dbraw/zinc/60/95/04/468609504.db2.gz KXCWKJQPOMMGFE-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597710389 468646866 /nfs/dbraw/zinc/64/68/66/468646866.db2.gz LRSFRINOEGKTHX-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CCCN1CC[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097584 468758298 /nfs/dbraw/zinc/75/82/98/468758298.db2.gz YALXYQOTNSFSEV-NVXWUHKLSA-N 0 3 343.431 2.492 20 5 EEBDHN CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592831802 468799091 /nfs/dbraw/zinc/79/90/91/468799091.db2.gz OYCLYUUWXKWAHX-CQSZACIVSA-N 0 3 335.404 2.306 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261087 468810420 /nfs/dbraw/zinc/81/04/20/468810420.db2.gz DTCGCZZAMHHVHK-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598341899 468837104 /nfs/dbraw/zinc/83/71/04/468837104.db2.gz HWPMCEMSXQILGH-LBPRGKRZSA-N 0 3 325.796 2.391 20 5 EEBDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598675992 468955272 /nfs/dbraw/zinc/95/52/72/468955272.db2.gz CBIMVFPHHSHXFC-XJKSGUPXSA-N 0 3 344.415 2.446 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784849 469009498 /nfs/dbraw/zinc/00/94/98/469009498.db2.gz BXXRTSBYHSTRGP-ZBFHGGJFSA-N 0 3 335.404 2.038 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(CO)CCCCC1)OCCO2 ZINC000610583463 469011975 /nfs/dbraw/zinc/01/19/75/469011975.db2.gz OVRKJLZUIHKJTN-UHFFFAOYSA-N 0 3 336.388 2.398 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718722 469020845 /nfs/dbraw/zinc/02/08/45/469020845.db2.gz UZWKWMQGBPVINF-MRXNPFEDSA-N 0 3 349.431 2.290 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611091717 469158570 /nfs/dbraw/zinc/15/85/70/469158570.db2.gz BYQCWTJBTZKEJU-ZDUSSCGKSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000611104243 469162161 /nfs/dbraw/zinc/16/21/61/469162161.db2.gz OJOYQHJOKRGJIY-HNNXBMFYSA-N 0 3 334.420 2.379 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCN1CCOCC1 ZINC000602503014 469341604 /nfs/dbraw/zinc/34/16/04/469341604.db2.gz JXMOYXLJBWALOI-UHFFFAOYSA-N 0 3 347.337 2.426 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000729430828 576653839 /nfs/dbraw/zinc/65/38/39/576653839.db2.gz AOFATNKADPCTGB-UHFFFAOYSA-N 0 3 341.383 2.159 20 5 EEBDHN Cc1cc(F)cc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000753441138 577787561 /nfs/dbraw/zinc/78/75/61/577787561.db2.gz PZEDBDZBSNGGGA-UHFFFAOYSA-N 0 3 344.346 2.400 20 5 EEBDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539706 577808323 /nfs/dbraw/zinc/80/83/23/577808323.db2.gz LQHVKQCWTRCQTG-BXUZGUMPSA-N 0 3 349.387 2.162 20 5 EEBDHN O=C(CC1CCOCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021914988 676548268 /nfs/dbraw/zinc/54/82/68/676548268.db2.gz TYEDUJSIBDCRDN-IYBDPMFKSA-N 0 3 347.415 2.148 20 5 EEBDHN Cc1nscc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021987084 676570475 /nfs/dbraw/zinc/57/04/75/676570475.db2.gz ANDYVMRLFIBCNL-BETUJISGSA-N 0 3 346.412 2.410 20 5 EEBDHN CCN1CCN(c2ccc(Nc3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000891535606 676688701 /nfs/dbraw/zinc/68/87/01/676688701.db2.gz WQNHEMFERAZFJL-UHFFFAOYSA-N 0 3 330.392 2.214 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCCN(CCCO)C1 ZINC000894674054 683023662 /nfs/dbraw/zinc/02/36/62/683023662.db2.gz SHUPOOJPEZINSC-CQSZACIVSA-N 0 3 327.812 2.185 20 5 EEBDHN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930655126 684328217 /nfs/dbraw/zinc/32/82/17/684328217.db2.gz NTBUSZVTTKFNHT-KBPBESRZSA-N 0 3 327.425 2.232 20 5 EEBDHN C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1CN(C)CCN1C ZINC000895247919 684384327 /nfs/dbraw/zinc/38/43/27/684384327.db2.gz KERLVWXXPVJWGR-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCc2cccnc21 ZINC000905603066 1189788940 /nfs/dbraw/zinc/78/89/40/1189788940.db2.gz VRHISYXTEHNXMJ-HUUCEWRRSA-N 0 3 343.383 2.397 20 5 EEBDHN Cc1c(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095926 1198498473 /nfs/dbraw/zinc/49/84/73/1198498473.db2.gz RLZGGTWSJDQPPR-SJLPKXTDSA-N 0 3 330.384 2.477 20 5 EEBDHN Cc1ccc(C)c(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000873192435 1198526050 /nfs/dbraw/zinc/52/60/50/1198526050.db2.gz BBRVRUOEIXCWHD-QZTJIDSGSA-N 0 3 330.384 2.396 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343508 1199908907 /nfs/dbraw/zinc/90/89/07/1199908907.db2.gz ZPELVKCMHYJOEB-KRWDZBQOSA-N 0 3 339.395 2.358 20 5 EEBDHN CC(COC(=O)c1cn(C)nc1-c1cc(F)ccc1F)[N+](=O)[O-] ZINC000870377555 1200643129 /nfs/dbraw/zinc/64/31/29/1200643129.db2.gz QUSZLGIJZHWAOD-MRVPVSSYSA-N 0 3 325.271 2.187 20 5 EEBDHN CC(COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[N+](=O)[O-] ZINC000813112283 1201123237 /nfs/dbraw/zinc/12/32/37/1201123237.db2.gz OWYJYALJODYDHM-RDDDGLTNSA-N 0 3 344.776 2.351 20 5 EEBDHN CS[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000882200409 1201830032 /nfs/dbraw/zinc/83/00/32/1201830032.db2.gz HYTLAXGVTZXDAZ-VXGBXAGGSA-N 0 3 326.397 2.145 20 5 EEBDHN CCN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)COC)CC1 ZINC000957653975 1215303691 /nfs/dbraw/zinc/30/36/91/1215303691.db2.gz DRHZFZHVDFHAOR-UHFFFAOYSA-N 0 3 349.431 2.302 20 5 EEBDHN CC(C)N(C)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096038962 1233846910 /nfs/dbraw/zinc/84/69/10/1233846910.db2.gz KNBVMQFODBKASY-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097037236 1243603253 /nfs/dbraw/zinc/60/32/53/1243603253.db2.gz JWRUTNSUEHAKPX-HAQNSBGRSA-N 0 3 338.383 2.133 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCCN(C)C(C)C ZINC001309405089 1331628572 /nfs/dbraw/zinc/62/85/72/1331628572.db2.gz FZVXJFJWVSWPOU-UHFFFAOYSA-N 0 3 349.840 2.175 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC001111811003 1303924037 /nfs/dbraw/zinc/92/40/37/1303924037.db2.gz BDPXDGYFLABXPX-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CC(C)(CO)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108427 1315844810 /nfs/dbraw/zinc/84/48/10/1315844810.db2.gz NWQIHUDYVCJUMN-IRXDYDNUSA-N 0 3 345.399 2.373 20 5 EEBDHN Cc1ccc(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001152275592 1316652936 /nfs/dbraw/zinc/65/29/36/1316652936.db2.gz JHGOXQMCXSZPJE-UHFFFAOYSA-N 0 3 331.372 2.335 20 5 EEBDHN CC(C)COCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154956691 1317401299 /nfs/dbraw/zinc/40/12/99/1317401299.db2.gz SBBVWSCBURUOAU-UHFFFAOYSA-N 0 3 343.449 2.315 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](Oc3cnccn3)C1)C2 ZINC001254612466 1318145604 /nfs/dbraw/zinc/14/56/04/1318145604.db2.gz WPAXIFPNGVVCJX-HZPDHXFCSA-N 0 3 326.356 2.005 20 5 EEBDHN COc1cc(C)nc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001158650204 1319355340 /nfs/dbraw/zinc/35/53/40/1319355340.db2.gz XWQOKGNAQROMBV-UHFFFAOYSA-N 0 3 329.360 2.245 20 5 EEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162778321 1320955213 /nfs/dbraw/zinc/95/52/13/1320955213.db2.gz IYMVLKOPLQKICI-SECBINFHSA-N 0 3 337.339 2.197 20 5 EEBDHN COc1nc(C)c(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163649972 1321181135 /nfs/dbraw/zinc/18/11/35/1321181135.db2.gz HLKFJPMBOCWFCW-GOEBONIOSA-N 0 3 336.392 2.020 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC[NH+](CC2CC2)CC1 ZINC001609603046 1352031694 /nfs/dbraw/zinc/03/16/94/1352031694.db2.gz WUENSGDFBGZHRT-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC[NH+](CC2CC2)CC1 ZINC001609603046 1352031695 /nfs/dbraw/zinc/03/16/95/1352031695.db2.gz WUENSGDFBGZHRT-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260755 1349238674 /nfs/dbraw/zinc/23/86/74/1349238674.db2.gz RVCAGJCTDYFNAB-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260755 1349238678 /nfs/dbraw/zinc/23/86/78/1349238678.db2.gz RVCAGJCTDYFNAB-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260755 1349238688 /nfs/dbraw/zinc/23/86/88/1349238688.db2.gz RVCAGJCTDYFNAB-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260755 1349238699 /nfs/dbraw/zinc/23/86/99/1349238699.db2.gz RVCAGJCTDYFNAB-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467792 1349803655 /nfs/dbraw/zinc/80/36/55/1349803655.db2.gz VKLXYIJKXPNOKW-BETUJISGSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467792 1349803658 /nfs/dbraw/zinc/80/36/58/1349803658.db2.gz VKLXYIJKXPNOKW-BETUJISGSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467792 1349803661 /nfs/dbraw/zinc/80/36/61/1349803661.db2.gz VKLXYIJKXPNOKW-BETUJISGSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467792 1349803664 /nfs/dbraw/zinc/80/36/64/1349803664.db2.gz VKLXYIJKXPNOKW-BETUJISGSA-N 0 3 328.376 2.397 20 5 EEBDHN C[C@H]1CCSCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603910487 1350800535 /nfs/dbraw/zinc/80/05/35/1350800535.db2.gz OXMWMBALYXNVDI-JTQLQIEISA-N 0 3 334.405 2.102 20 5 EEBDHN C[C@H]1CCSCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603910487 1350800536 /nfs/dbraw/zinc/80/05/36/1350800536.db2.gz OXMWMBALYXNVDI-JTQLQIEISA-N 0 3 334.405 2.102 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Cl)nc1 ZINC000783911173 1371374500 /nfs/dbraw/zinc/37/45/00/1371374500.db2.gz YCVWOBOXWWDJHA-GFCCVEGCSA-N 0 3 337.763 2.173 20 5 EEBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C)C1 ZINC000843987301 788768438 /nfs/dbraw/zinc/76/84/38/788768438.db2.gz CPUWSGLCMRUORV-GFCCVEGCSA-N 0 3 339.367 2.055 20 5 EEBDHN COc1cncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845877076 789972607 /nfs/dbraw/zinc/97/26/07/789972607.db2.gz DRPRZFOEERPOIB-XPTSAGLGSA-N 0 3 335.291 2.188 20 5 EEBDHN Cc1ccn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)c1 ZINC000845882276 789973776 /nfs/dbraw/zinc/97/37/76/789973776.db2.gz ODBOHBGHDOKTNT-YVEFUNNKSA-N 0 3 348.330 2.246 20 5 EEBDHN COc1ccsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148626163 792610161 /nfs/dbraw/zinc/61/01/61/792610161.db2.gz AAFTVXDUCARYML-UHFFFAOYSA-N 0 3 335.385 2.185 20 5 EEBDHN O=C(CCc1ccccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148825800 792701995 /nfs/dbraw/zinc/70/19/95/792701995.db2.gz LXPMFJZLPYRMDZ-UHFFFAOYSA-N 0 3 327.384 2.433 20 5 EEBDHN CCCCCCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149025601 792856677 /nfs/dbraw/zinc/85/66/77/792856677.db2.gz HQGPNVKKPYKDHB-UHFFFAOYSA-N 0 3 337.420 2.398 20 5 EEBDHN Cc1nc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001169075952 803605726 /nfs/dbraw/zinc/60/57/26/803605726.db2.gz SOZFZOTVZJVJPW-UHFFFAOYSA-N 0 3 338.389 2.171 20 5 EEBDHN CNC(=O)c1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788519521 807561541 /nfs/dbraw/zinc/56/15/41/807561541.db2.gz NILKIDLJINQTKN-NSHDSACASA-N 0 3 328.372 2.387 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129629039 529804388 /nfs/dbraw/zinc/80/43/88/529804388.db2.gz UUODPLMJUMRIJI-SECBINFHSA-N 0 3 331.294 2.295 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000067725771 215195710 /nfs/dbraw/zinc/19/57/10/215195710.db2.gz AGBRSVKNOBCCIE-UHFFFAOYSA-N 0 3 332.404 2.365 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000072839545 216315343 /nfs/dbraw/zinc/31/53/43/216315343.db2.gz ZQVDSVLBSNMONB-UHFFFAOYSA-N 0 3 331.376 2.108 20 5 EEBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCCN(C)C ZINC000416339385 239193408 /nfs/dbraw/zinc/19/34/08/239193408.db2.gz GSOOENPUHVWWPO-UHFFFAOYSA-N 0 3 348.359 2.124 20 5 EEBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)ccc1OCC[NH+](C)C ZINC000416339385 239193414 /nfs/dbraw/zinc/19/34/14/239193414.db2.gz GSOOENPUHVWWPO-UHFFFAOYSA-N 0 3 348.359 2.124 20 5 EEBDHN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCCN(C)C ZINC000416342046 239193510 /nfs/dbraw/zinc/19/35/10/239193510.db2.gz OLAYGIMPQNRKDO-UHFFFAOYSA-N 0 3 349.343 2.389 20 5 EEBDHN Cc1sc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000445705505 242126953 /nfs/dbraw/zinc/12/69/53/242126953.db2.gz ULWOKZLNJKIOSI-UHFFFAOYSA-N 0 3 347.462 2.070 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451887366 243292453 /nfs/dbraw/zinc/29/24/53/243292453.db2.gz JVYBLTKZOFHPII-UHFFFAOYSA-N 0 3 343.449 2.302 20 5 EEBDHN C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000456318991 244214214 /nfs/dbraw/zinc/21/42/14/244214214.db2.gz NNVSJYXJTWLWCB-CQSZACIVSA-N 0 3 342.355 2.497 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747577 245234481 /nfs/dbraw/zinc/23/44/81/245234481.db2.gz GGHNCOAATVIMLC-LSDHHAIUSA-N 0 3 333.388 2.105 20 5 EEBDHN CN(Cc1csc2ccccc12)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266395939 248281130 /nfs/dbraw/zinc/28/11/30/248281130.db2.gz DDNQFLSGZUMCLF-AWEZNQCLSA-N 0 3 346.412 2.499 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000267863925 256092750 /nfs/dbraw/zinc/09/27/50/256092750.db2.gz BCEPWZNEJVFYNZ-TZMCWYRMSA-N 0 3 332.404 2.062 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268103442 256113596 /nfs/dbraw/zinc/11/35/96/256113596.db2.gz FCPMWAZICLMTJH-CYBMUJFWSA-N 0 3 340.811 2.484 20 5 EEBDHN COc1ccc(CCCN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159771194 533469133 /nfs/dbraw/zinc/46/91/33/533469133.db2.gz WAXWSLGTKVFWDP-UHFFFAOYSA-N 0 3 345.399 2.330 20 5 EEBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052932181 158957455 /nfs/dbraw/zinc/95/74/55/158957455.db2.gz DNXMFIFRBCFKAJ-MRXNPFEDSA-N 0 3 331.416 2.376 20 5 EEBDHN O=C(NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000237718898 160224713 /nfs/dbraw/zinc/22/47/13/160224713.db2.gz GDZDZDILLMKLLJ-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341284028 160978824 /nfs/dbraw/zinc/97/88/24/160978824.db2.gz KMJZAQXPTYFFHI-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN CC[C@H]1CCCCN1CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342134914 161042487 /nfs/dbraw/zinc/04/24/87/161042487.db2.gz SVASWIALEIOGPS-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000343428323 161135441 /nfs/dbraw/zinc/13/54/41/161135441.db2.gz HIYVRTXVZDAEAM-IAQYHMDHSA-N 0 3 330.388 2.218 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000343759496 161165625 /nfs/dbraw/zinc/16/56/25/161165625.db2.gz CNNBKHQXXPEBLJ-NEPJUHHUSA-N 0 3 333.388 2.349 20 5 EEBDHN COc1cc(CNCCN2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352835076 162305183 /nfs/dbraw/zinc/30/51/83/162305183.db2.gz WXVSBTJAIOGOHI-UHFFFAOYSA-N 0 3 345.346 2.043 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359214022 164084749 /nfs/dbraw/zinc/08/47/49/164084749.db2.gz PEIUBAJWQVOEDP-XHDPSFHLSA-N 0 3 332.404 2.185 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365073181 165369559 /nfs/dbraw/zinc/36/95/59/165369559.db2.gz QUVQYLKCELLONL-KBPBESRZSA-N 0 3 348.403 2.196 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000374853910 167052495 /nfs/dbraw/zinc/05/24/95/167052495.db2.gz HAZMPUVUWDNCGB-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000124207665 222391108 /nfs/dbraw/zinc/39/11/08/222391108.db2.gz BYWDXGUHCUHTCC-YPMHNXCESA-N 0 3 342.399 2.360 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOC(C)(C)C1 ZINC000171766767 227270876 /nfs/dbraw/zinc/27/08/76/227270876.db2.gz UIFRIPUAXFRLAQ-UHFFFAOYSA-N 0 3 337.420 2.194 20 5 EEBDHN COc1cc(CNC[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407459 268970129 /nfs/dbraw/zinc/97/01/29/268970129.db2.gz KLRCURYPASUZPZ-JTQLQIEISA-N 0 3 348.346 2.355 20 5 EEBDHN C[C@H]1CN(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCO1 ZINC000277993589 269204663 /nfs/dbraw/zinc/20/46/63/269204663.db2.gz NCIVTJLUXZPMPJ-ZDUSSCGKSA-N 0 3 334.420 2.476 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280445834 269363325 /nfs/dbraw/zinc/36/33/25/269363325.db2.gz KWXLLLSRXBYGHO-UHFFFAOYSA-N 0 3 343.786 2.482 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000193263812 274056819 /nfs/dbraw/zinc/05/68/19/274056819.db2.gz HBWUIBHHLZZVTO-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN CCn1cc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000271465823 274132983 /nfs/dbraw/zinc/13/29/83/274132983.db2.gz IDUIROVIADWILM-LBPRGKRZSA-N 0 3 331.376 2.318 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000194729912 274144831 /nfs/dbraw/zinc/14/48/31/274144831.db2.gz UEVVBNDIAKBMBD-OCCSQVGLSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000272554455 274175325 /nfs/dbraw/zinc/17/53/25/274175325.db2.gz RYANZAOGAUAXQF-GUYCJALGSA-N 0 3 343.431 2.490 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000277396954 274288590 /nfs/dbraw/zinc/28/85/90/274288590.db2.gz JODTZQXMARISPP-INIZCTEOSA-N 0 3 346.431 2.453 20 5 EEBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555409 274372031 /nfs/dbraw/zinc/37/20/31/274372031.db2.gz BXGXVPZFMVXZMJ-YVEFUNNKSA-N 0 3 332.356 2.484 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600213 275074414 /nfs/dbraw/zinc/07/44/14/275074414.db2.gz YPDGTBFCTGQYIZ-ABAIWWIYSA-N 0 3 348.359 2.202 20 5 EEBDHN CN1CCC[C@@H](N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000368393448 277053855 /nfs/dbraw/zinc/05/38/55/277053855.db2.gz OGRQXBIJWJBAKP-CYBMUJFWSA-N 0 3 338.839 2.464 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCc2c1cccc2O ZINC000296810470 294073318 /nfs/dbraw/zinc/07/33/18/294073318.db2.gz RJLKFXPNXAWSCF-DOMZBBRYSA-N 0 3 344.367 2.317 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000297515092 294266582 /nfs/dbraw/zinc/26/65/82/294266582.db2.gz UYJLVIXKUPNJRG-UHFFFAOYSA-N 0 3 346.391 2.017 20 5 EEBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298889153 294610081 /nfs/dbraw/zinc/61/00/81/294610081.db2.gz UTNNPNXASCDLQM-OAHLLOKOSA-N 0 3 328.372 2.490 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124628847 304818182 /nfs/dbraw/zinc/81/81/82/304818182.db2.gz BMXLNAVPZZHFFF-NWDGAFQWSA-N 0 3 333.310 2.467 20 5 EEBDHN NC(=O)CC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421347490 314088900 /nfs/dbraw/zinc/08/89/00/314088900.db2.gz CMEFUOFUTDUUMV-UHFFFAOYSA-N 0 3 346.412 2.464 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000539041419 318050706 /nfs/dbraw/zinc/05/07/06/318050706.db2.gz NCUWAJMYTDRWHG-NWDGAFQWSA-N 0 3 346.474 2.488 20 5 EEBDHN CC(C)n1cc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574350 318132918 /nfs/dbraw/zinc/13/29/18/318132918.db2.gz NGAQUCPNOOVJRB-XJKSGUPXSA-N 0 3 348.403 2.463 20 5 EEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000547726957 318315968 /nfs/dbraw/zinc/31/59/68/318315968.db2.gz JOTCPIJYNXANCT-HNNXBMFYSA-N 0 3 347.802 2.477 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738168 318317318 /nfs/dbraw/zinc/31/73/18/318317318.db2.gz VHKBEVNSRKNCQI-OAHLLOKOSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000580480475 324071940 /nfs/dbraw/zinc/07/19/40/324071940.db2.gz YCTDFVYEKVFJSX-NSHDSACASA-N 0 3 344.371 2.063 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000115519210 462718374 /nfs/dbraw/zinc/71/83/74/462718374.db2.gz YSBTVJGQAFCVRQ-LBPRGKRZSA-N 0 3 332.404 2.258 20 5 EEBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000090015344 462766635 /nfs/dbraw/zinc/76/66/35/462766635.db2.gz FYNISFKKJZBQJQ-LBPRGKRZSA-N 0 3 341.433 2.041 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076348153 462846195 /nfs/dbraw/zinc/84/61/95/462846195.db2.gz WQIOJGOVWDFLRX-ZDUSSCGKSA-N 0 3 337.376 2.043 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092652814 462969402 /nfs/dbraw/zinc/96/94/02/462969402.db2.gz GJQIBDMXBFQKAD-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN COc1cc(CN[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000156367082 463014947 /nfs/dbraw/zinc/01/49/47/463014947.db2.gz ZBWOABHWEMBBTN-LLVKDONJSA-N 0 3 348.346 2.354 20 5 EEBDHN Cc1c(C(=O)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000023913618 463072959 /nfs/dbraw/zinc/07/29/59/463072959.db2.gz QGPNSGAVSBXCQM-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157182983 463106937 /nfs/dbraw/zinc/10/69/37/463106937.db2.gz RSGNAHQXVGSABT-KGLIPLIRSA-N 0 3 333.388 2.160 20 5 EEBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(CO)CC1 ZINC000136143364 463223049 /nfs/dbraw/zinc/22/30/49/463223049.db2.gz HRBJYVPRLKJWCD-UHFFFAOYSA-N 0 3 336.388 2.444 20 5 EEBDHN Cc1cc(N[C@@H]2CCN(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522048025 468351925 /nfs/dbraw/zinc/35/19/25/468351925.db2.gz NOPZOGUHOCBHKV-CQSZACIVSA-N 0 3 339.399 2.431 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCn1ccnc1 ZINC000124384678 463416368 /nfs/dbraw/zinc/41/63/68/463416368.db2.gz DDTHJFXRBYSLGL-CYBMUJFWSA-N 0 3 331.376 2.140 20 5 EEBDHN CC1CCN(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488294 463490903 /nfs/dbraw/zinc/49/09/03/463490903.db2.gz VPVZJLSKGXMDGW-UHFFFAOYSA-N 0 3 349.435 2.038 20 5 EEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000522256640 468365995 /nfs/dbraw/zinc/36/59/95/468365995.db2.gz HQGIAZAJDXNHQC-SFHVURJKSA-N 0 3 341.367 2.170 20 5 EEBDHN CN(C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109805871 463650743 /nfs/dbraw/zinc/65/07/43/463650743.db2.gz YZXCCALQMZPQSK-LBPRGKRZSA-N 0 3 340.811 2.213 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185433099 463822090 /nfs/dbraw/zinc/82/20/90/463822090.db2.gz QYXUNWDLVGECMM-GFCCVEGCSA-N 0 3 337.424 2.265 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219858 463837720 /nfs/dbraw/zinc/83/77/20/463837720.db2.gz QEEFFRZLPKSLPM-RYUDHWBXSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219858 463837724 /nfs/dbraw/zinc/83/77/24/463837724.db2.gz QEEFFRZLPKSLPM-RYUDHWBXSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269352257 463961873 /nfs/dbraw/zinc/96/18/73/463961873.db2.gz GVFFSMMYNMEHEK-NEPJUHHUSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000269591143 464028817 /nfs/dbraw/zinc/02/88/17/464028817.db2.gz CADKWTXUUKMBJN-GFCCVEGCSA-N 0 3 343.387 2.273 20 5 EEBDHN COc1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000269637218 464041691 /nfs/dbraw/zinc/04/16/91/464041691.db2.gz GKAWSGSPIXPGIK-UHFFFAOYSA-N 0 3 338.408 2.085 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOC[C@@H]1C ZINC000591019871 468394735 /nfs/dbraw/zinc/39/47/35/468394735.db2.gz KTOXMEXIFVCZHQ-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN Cc1ccc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000269964007 464142041 /nfs/dbraw/zinc/14/20/41/464142041.db2.gz VWSNIHPNYJIVTG-OAHLLOKOSA-N 0 3 334.420 2.258 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C2CC2)C1 ZINC000294357179 464476463 /nfs/dbraw/zinc/47/64/63/464476463.db2.gz BMZMGXSHAVPTGR-CYBMUJFWSA-N 0 3 345.399 2.158 20 5 EEBDHN Cn1cc(CN[C@@H]2C[C@@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351426 464481999 /nfs/dbraw/zinc/48/19/99/464481999.db2.gz KFKXMGYCMANPFN-HUUCEWRRSA-N 0 3 330.388 2.244 20 5 EEBDHN COc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285709335 464666696 /nfs/dbraw/zinc/66/66/96/464666696.db2.gz HWCBGFAVEPYLEB-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196690 464717826 /nfs/dbraw/zinc/71/78/26/464717826.db2.gz HAMIXZYCQXHEOX-ZDUSSCGKSA-N 0 3 341.375 2.065 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1F ZINC000282548462 464861624 /nfs/dbraw/zinc/86/16/24/464861624.db2.gz SELHSHVBFAPKRS-OAHLLOKOSA-N 0 3 337.395 2.278 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249743514 464911657 /nfs/dbraw/zinc/91/16/57/464911657.db2.gz LCOUMBLYSXFQRQ-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CNC(=O)c1ccc(N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286461712 464926060 /nfs/dbraw/zinc/92/60/60/464926060.db2.gz VADXQWZCQCWJFT-GXTWGEPZSA-N 0 3 332.404 2.017 20 5 EEBDHN Cc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128776 464938149 /nfs/dbraw/zinc/93/81/49/464938149.db2.gz UMRKFYMETWLOFH-ONGXEEELSA-N 0 3 348.359 2.166 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559352 464960236 /nfs/dbraw/zinc/96/02/36/464960236.db2.gz TUGZQNNHUDZCAX-HOCLYGCPSA-N 0 3 335.404 2.009 20 5 EEBDHN CCN(CCO)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000184546941 464995066 /nfs/dbraw/zinc/99/50/66/464995066.db2.gz ZTLIOBKJIGUTKK-UHFFFAOYSA-N 0 3 333.388 2.259 20 5 EEBDHN Cc1cc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184610871 465008265 /nfs/dbraw/zinc/00/82/65/465008265.db2.gz AMEFXWNFOBVYHN-AWEZNQCLSA-N 0 3 349.435 2.051 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352816668 465559140 /nfs/dbraw/zinc/55/91/40/465559140.db2.gz PVDBQKCYYGTBAT-OUJBWJOFSA-N 0 3 339.417 2.272 20 5 EEBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C)C1 ZINC000299236337 465659981 /nfs/dbraw/zinc/65/99/81/465659981.db2.gz HEVFPKVBUFBUIW-VXGBXAGGSA-N 0 3 345.403 2.321 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000330606215 465727926 /nfs/dbraw/zinc/72/79/26/465727926.db2.gz ZTQYBSDSVHMJGL-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CNc1c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179104 465818961 /nfs/dbraw/zinc/81/89/61/465818961.db2.gz OVBJKPHKOLXNSS-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN CC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(CC)CC ZINC000346232134 466013056 /nfs/dbraw/zinc/01/30/56/466013056.db2.gz YSMQITLPOUGBDY-HIFRSBDPSA-N 0 3 349.435 2.123 20 5 EEBDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451369 466089302 /nfs/dbraw/zinc/08/93/02/466089302.db2.gz ZEHDOOYXWHVFJN-OHUAYANFSA-N 0 3 335.379 2.436 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CC[C@@H](CO)O2)o1 ZINC000353715923 466091396 /nfs/dbraw/zinc/09/13/96/466091396.db2.gz XRWZKKNGBUIYDJ-JSGCOSHPSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1cccc(NC2CCN(CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000338666229 466302920 /nfs/dbraw/zinc/30/29/20/466302920.db2.gz PQKUYONDPAQRTH-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332056374 466365063 /nfs/dbraw/zinc/36/50/63/466365063.db2.gz OSKJFJSMLWMXSI-CZUORRHYSA-N 0 3 332.404 2.139 20 5 EEBDHN CC(C)[C@H]1OCC[C@@H]1CN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332222269 466454772 /nfs/dbraw/zinc/45/47/72/466454772.db2.gz YPGQODQWXMZKIW-KBRIMQKVSA-N 0 3 347.415 2.351 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600202186 468493760 /nfs/dbraw/zinc/49/37/60/468493760.db2.gz BBMKRVLBXXWANE-ATNRAGQQSA-N 0 3 334.416 2.311 20 5 EEBDHN CN(CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC1 ZINC000350711631 466584901 /nfs/dbraw/zinc/58/49/01/466584901.db2.gz FGLMOPVJLNOWNN-UHFFFAOYSA-N 0 3 343.387 2.065 20 5 EEBDHN COc1cc(CN[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000362190955 466612378 /nfs/dbraw/zinc/61/23/78/466612378.db2.gz OHSSPUPYVQOBIL-JTQLQIEISA-N 0 3 334.319 2.311 20 5 EEBDHN CCOc1cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201279 466743404 /nfs/dbraw/zinc/74/34/04/466743404.db2.gz JNXYUIQZISHDNQ-WBVHZDCISA-N 0 3 349.431 2.025 20 5 EEBDHN COc1cc(C(=O)N2C[C@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000424069841 466971197 /nfs/dbraw/zinc/97/11/97/466971197.db2.gz CMJBDTZAXBMFQH-CQSZACIVSA-N 0 3 341.367 2.442 20 5 EEBDHN CCCN1CCC[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427960992 467188996 /nfs/dbraw/zinc/18/89/96/467188996.db2.gz BSEQDWVJILXWPB-HNNXBMFYSA-N 0 3 333.388 2.190 20 5 EEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000428896000 467279067 /nfs/dbraw/zinc/27/90/67/467279067.db2.gz RPIDNAHHVIUWGS-AWEZNQCLSA-N 0 3 330.388 2.487 20 5 EEBDHN CN(C)Cc1ccccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000433374906 467325519 /nfs/dbraw/zinc/32/55/19/467325519.db2.gz NRPSJEXVAZMLCP-UHFFFAOYSA-N 0 3 339.355 2.785 20 5 EEBDHN CO[C@@H]([C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185240 467387336 /nfs/dbraw/zinc/38/73/36/467387336.db2.gz OIAOHLMXMKXRHO-UVBJJODRSA-N 0 3 333.388 2.103 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415293150 467536886 /nfs/dbraw/zinc/53/68/86/467536886.db2.gz IIFPMYSYCUWFNL-NEPJUHHUSA-N 0 3 336.392 2.446 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCc1ccco1 ZINC000449225834 467624392 /nfs/dbraw/zinc/62/43/92/467624392.db2.gz PIERYZUPTKLEJG-CHWSQXEVSA-N 0 3 331.372 2.413 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450394868 467842039 /nfs/dbraw/zinc/84/20/39/467842039.db2.gz YMVJAZHQEBYRBT-ZDUSSCGKSA-N 0 3 330.388 2.300 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000458476972 467842526 /nfs/dbraw/zinc/84/25/26/467842526.db2.gz OMXOALGTCOBQQA-AWEZNQCLSA-N 0 3 346.431 2.263 20 5 EEBDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218926 468234306 /nfs/dbraw/zinc/23/43/06/468234306.db2.gz IJFRWBRHZDFULO-HIFRSBDPSA-N 0 3 348.403 2.357 20 5 EEBDHN Cc1c(Br)c(N2CCNC[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000600947554 468693328 /nfs/dbraw/zinc/69/33/28/468693328.db2.gz MKTHEAVCEDXNFO-JTQLQIEISA-N 0 3 343.225 2.495 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000583992240 468783367 /nfs/dbraw/zinc/78/33/67/468783367.db2.gz ZLOZOLWKTFYPRB-HOTGVXAUSA-N 0 3 343.383 2.219 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000571448113 468790048 /nfs/dbraw/zinc/79/00/48/468790048.db2.gz RPVOVEGMVJCHBW-LLVKDONJSA-N 0 3 334.376 2.063 20 5 EEBDHN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000584111142 468802276 /nfs/dbraw/zinc/80/22/76/468802276.db2.gz NUFKHOJBOBYTKS-CXAGYDPISA-N 0 3 343.383 2.426 20 5 EEBDHN COc1c(C(=O)N[C@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598259972 468809322 /nfs/dbraw/zinc/80/93/22/468809322.db2.gz HQAAFOFOFLLQHV-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1ccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261045 468809959 /nfs/dbraw/zinc/80/99/59/468809959.db2.gz CYSNDNFBZOSDGU-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H](NS(=O)(=O)CCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601310197 468821310 /nfs/dbraw/zinc/82/13/10/468821310.db2.gz NIHFIPXLSIHBGA-CYBMUJFWSA-N 0 3 341.433 2.061 20 5 EEBDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598675989 468955088 /nfs/dbraw/zinc/95/50/88/468955088.db2.gz CBIMVFPHHSHXFC-BBRMVZONSA-N 0 3 344.415 2.446 20 5 EEBDHN CCN1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585706846 469017934 /nfs/dbraw/zinc/01/79/34/469017934.db2.gz SDVKSMATUQQUJZ-GFCCVEGCSA-N 0 3 347.419 2.072 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC[C@@H](O)C3)o2)cc1 ZINC000599009417 469087428 /nfs/dbraw/zinc/08/74/28/469087428.db2.gz KRXLPQPOXPOXIB-OAHLLOKOSA-N 0 3 331.372 2.011 20 5 EEBDHN CC(C)OCCN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589114116 469197556 /nfs/dbraw/zinc/19/75/56/469197556.db2.gz WQXSWTLLDYGLCW-UHFFFAOYSA-N 0 3 342.827 2.366 20 5 EEBDHN O=c1[n-]ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596222056 469211779 /nfs/dbraw/zinc/21/17/79/469211779.db2.gz JDJHHUMBGWRWOA-GASCZTMLSA-N 0 3 340.383 2.264 20 5 EEBDHN O=c1[n-]ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596222056 469211785 /nfs/dbraw/zinc/21/17/85/469211785.db2.gz JDJHHUMBGWRWOA-GASCZTMLSA-N 0 3 340.383 2.264 20 5 EEBDHN O=[N+]([O-])c1cccc(CN(C[C@H]2CNc3ccnn3C2)C2CC2)c1 ZINC000619264730 469564263 /nfs/dbraw/zinc/56/42/63/469564263.db2.gz KNZOSEWOTSUICD-CQSZACIVSA-N 0 3 327.388 2.498 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000609628148 469951226 /nfs/dbraw/zinc/95/12/26/469951226.db2.gz QYYANVQKBRPOKB-HNNXBMFYSA-N 0 3 342.399 2.328 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153908042 527514377 /nfs/dbraw/zinc/51/43/77/527514377.db2.gz IITYAHFETIHHPF-PBHICJAKSA-N 0 3 349.431 2.112 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411430990 527972268 /nfs/dbraw/zinc/97/22/68/527972268.db2.gz UEJUTJIHPKYGGN-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN CCS[C@@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159815951 529206723 /nfs/dbraw/zinc/20/67/23/529206723.db2.gz KQYZGMACFVSIHK-CQSZACIVSA-N 0 3 325.434 2.364 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446037335 535691580 /nfs/dbraw/zinc/69/15/80/535691580.db2.gz YXPKABNRZPRXMP-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000772576272 577283306 /nfs/dbraw/zinc/28/33/06/577283306.db2.gz DLCVPBQBWUPPGU-QWHCGFSZSA-N 0 3 347.444 2.259 20 5 EEBDHN COc1ccc([C@H](CO)N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581697 577463115 /nfs/dbraw/zinc/46/31/15/577463115.db2.gz HRICODFSXJRFKT-ROUUACIJSA-N 0 3 346.383 2.302 20 5 EEBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580954 577463173 /nfs/dbraw/zinc/46/31/73/577463173.db2.gz APIUVJZKNZAGGD-YOEHRIQHSA-N 0 3 349.431 2.257 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764364443 577734933 /nfs/dbraw/zinc/73/49/33/577734933.db2.gz YPKYVFRAHQSLDU-CQSZACIVSA-N 0 3 345.403 2.097 20 5 EEBDHN C[S@](=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341978 577804778 /nfs/dbraw/zinc/80/47/78/577804778.db2.gz OSJNEWAQEGFJSM-HJPURHCSSA-N 0 3 334.397 2.155 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000749802570 577982167 /nfs/dbraw/zinc/98/21/67/577982167.db2.gz YFGMHXXSBCCKAJ-LSDHHAIUSA-N 0 3 343.387 2.169 20 5 EEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826499806 607978058 /nfs/dbraw/zinc/97/80/58/607978058.db2.gz YHYQDBDFAKQTLG-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826499806 607978057 /nfs/dbraw/zinc/97/80/57/607978057.db2.gz YHYQDBDFAKQTLG-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN CCc1nocc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020555920 675111765 /nfs/dbraw/zinc/11/17/65/675111765.db2.gz VISJAWHRALLGCU-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ncccc1F ZINC001020815223 675511861 /nfs/dbraw/zinc/51/18/61/675511861.db2.gz VFKHQZLHWNKVQK-JOCQHMNTSA-N 0 3 344.346 2.180 20 5 EEBDHN CC(C)(C)[C@@H]1CSCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931595952 693752833 /nfs/dbraw/zinc/75/28/33/693752833.db2.gz FFUBOCDYEZVFNU-ZDUSSCGKSA-N 0 3 325.434 2.220 20 5 EEBDHN CC1(C)CCN(CC(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC001059413439 684917672 /nfs/dbraw/zinc/91/76/72/684917672.db2.gz GXASMGKNGUXHCV-HDJSIYSDSA-N 0 3 346.431 2.386 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010849 691181181 /nfs/dbraw/zinc/18/11/81/691181181.db2.gz JHMDDOAAOHYWAU-LDYMZIIASA-N 0 3 342.783 2.483 20 5 EEBDHN Cc1cc(C(=O)N2CCC(NCc3csc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000990075460 692637987 /nfs/dbraw/zinc/63/79/87/692637987.db2.gz JRTNXYPVZNOBFJ-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN COc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877346113 1199909644 /nfs/dbraw/zinc/90/96/44/1199909644.db2.gz GMIWLUVJBFHRBG-OAHLLOKOSA-N 0 3 341.367 2.048 20 5 EEBDHN CC(COC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111433 1201123446 /nfs/dbraw/zinc/12/34/46/1201123446.db2.gz HFLIOBOWTHFUOB-UWVGGRQHSA-N 0 3 344.364 2.094 20 5 EEBDHN CC(COC(=O)c1nn(-c2ccccc2F)c2c1CCC2)[N+](=O)[O-] ZINC000813114533 1201124975 /nfs/dbraw/zinc/12/49/75/1201124975.db2.gz SMNWLUXQUOYBPV-JTQLQIEISA-N 0 3 333.319 2.322 20 5 EEBDHN CCN(CCC(=O)NC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000933863424 1207855592 /nfs/dbraw/zinc/85/55/92/1207855592.db2.gz YDILFMDCAWVGAV-UHFFFAOYSA-N 0 3 344.209 2.315 20 5 EEBDHN CC(F)(F)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048643102 1238172011 /nfs/dbraw/zinc/17/20/11/1238172011.db2.gz FTUAJPJBHPCMEN-BETUJISGSA-N 0 3 339.342 2.140 20 5 EEBDHN CN(CCO)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001220438412 1298409760 /nfs/dbraw/zinc/40/97/60/1298409760.db2.gz SQPVCKBDGKPVMM-UHFFFAOYSA-N 0 3 346.387 2.136 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001229679171 1302912979 /nfs/dbraw/zinc/91/29/79/1302912979.db2.gz RUMUCNWMGJENIA-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN CC(C)OCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001234188211 1304788381 /nfs/dbraw/zinc/78/83/81/1304788381.db2.gz BBRUDKMNIMGQSX-UHFFFAOYSA-N 0 3 337.420 2.348 20 5 EEBDHN CN(CCCNC(=O)COC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234414155 1304913829 /nfs/dbraw/zinc/91/38/29/1304913829.db2.gz FXSXMIUFQMTIIK-UHFFFAOYSA-N 0 3 349.431 2.492 20 5 EEBDHN O=C(Cc1ccc(F)cc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149610099 1315998354 /nfs/dbraw/zinc/99/83/54/1315998354.db2.gz IBLNOKOXYQPEEZ-UHFFFAOYSA-N 0 3 331.347 2.182 20 5 EEBDHN Cc1ccc(OCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001150137209 1316174669 /nfs/dbraw/zinc/17/46/69/1316174669.db2.gz LJJMKUMPKFTVSK-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccccc1 ZINC001254536110 1318113617 /nfs/dbraw/zinc/11/36/17/1318113617.db2.gz NQWNYSYZPSIGPF-CQSZACIVSA-N 0 3 327.384 2.432 20 5 EEBDHN COc1ccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1OC ZINC001254583927 1318133031 /nfs/dbraw/zinc/13/30/31/1318133031.db2.gz DZPCWHGWRRVIIO-CQSZACIVSA-N 0 3 329.356 2.264 20 5 EEBDHN Cc1nccnc1O[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612038 1318145786 /nfs/dbraw/zinc/14/57/86/1318145786.db2.gz URGCXCQMYJXVTM-DLBZAZTESA-N 0 3 340.383 2.314 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000054281548 1319457996 /nfs/dbraw/zinc/45/79/96/1319457996.db2.gz MZDMXISWJHFTPW-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN COc1cccc(CN2CC[C@H](Nc3ncc([N+](=O)[O-])cc3N)C2)c1 ZINC001161193162 1320415924 /nfs/dbraw/zinc/41/59/24/1320415924.db2.gz SKOHVFOICRMHBI-ZDUSSCGKSA-N 0 3 343.387 2.267 20 5 EEBDHN CC(C)c1n[nH]cc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161672482 1320582452 /nfs/dbraw/zinc/58/24/52/1320582452.db2.gz QIQXNUOZSKDGDI-UHFFFAOYSA-N 0 3 345.403 2.351 20 5 EEBDHN COc1cccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])N(C)C)c1 ZINC001326083311 1334024639 /nfs/dbraw/zinc/02/46/39/1334024639.db2.gz ZXNKDRDXLRUYDW-OAHLLOKOSA-N 0 3 330.388 2.444 20 5 EEBDHN CC1(C)CC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083874 1349145199 /nfs/dbraw/zinc/14/51/99/1349145199.db2.gz MREUXFBQNNDROS-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC1(C)CC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083874 1349145204 /nfs/dbraw/zinc/14/52/04/1349145204.db2.gz MREUXFBQNNDROS-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590272105 1349242738 /nfs/dbraw/zinc/24/27/38/1349242738.db2.gz NKOMMRBQEJHFCS-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590272105 1349242742 /nfs/dbraw/zinc/24/27/42/1349242742.db2.gz NKOMMRBQEJHFCS-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590410529 1349311610 /nfs/dbraw/zinc/31/16/10/1349311610.db2.gz QUXXDSMSVDQXES-NSHDSACASA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590410529 1349311615 /nfs/dbraw/zinc/31/16/15/1349311615.db2.gz QUXXDSMSVDQXES-NSHDSACASA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590410529 1349311625 /nfs/dbraw/zinc/31/16/25/1349311625.db2.gz QUXXDSMSVDQXES-NSHDSACASA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590410529 1349311630 /nfs/dbraw/zinc/31/16/30/1349311630.db2.gz QUXXDSMSVDQXES-NSHDSACASA-N 0 3 333.396 2.226 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591065368 1349438483 /nfs/dbraw/zinc/43/84/83/1349438483.db2.gz MJJSBDRAYFAANX-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591065368 1349438493 /nfs/dbraw/zinc/43/84/93/1349438493.db2.gz MJJSBDRAYFAANX-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591065368 1349438500 /nfs/dbraw/zinc/43/85/00/1349438500.db2.gz MJJSBDRAYFAANX-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591065368 1349438504 /nfs/dbraw/zinc/43/85/04/1349438504.db2.gz MJJSBDRAYFAANX-GFCCVEGCSA-N 0 3 345.407 2.086 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC[NH+](C2CCC2)CC1 ZINC001593481174 1349813190 /nfs/dbraw/zinc/81/31/90/1349813190.db2.gz PHPAIVCULBVFAU-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC[NH+](C2CCC2)CC1 ZINC001593481174 1349813195 /nfs/dbraw/zinc/81/31/95/1349813195.db2.gz PHPAIVCULBVFAU-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001604679356 1350983016 /nfs/dbraw/zinc/98/30/16/1350983016.db2.gz MISWCKVLQTXXAY-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001604679356 1350983017 /nfs/dbraw/zinc/98/30/17/1350983017.db2.gz MISWCKVLQTXXAY-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104400860 760277183 /nfs/dbraw/zinc/27/71/83/760277183.db2.gz DGSQAAHUWSDJDC-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCC[S@](=O)Cc2ccccc2)cc1 ZINC000819042370 785371823 /nfs/dbraw/zinc/37/18/23/785371823.db2.gz MDLQSTPQIDWWDF-OSPHWJPCSA-N 0 3 348.424 2.167 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107285483 786721443 /nfs/dbraw/zinc/72/14/43/786721443.db2.gz OQOAQNMGPSUOEC-NSCUHMNNSA-N 0 3 347.350 2.092 20 5 EEBDHN CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C1CCC1 ZINC001109653033 805830012 /nfs/dbraw/zinc/83/00/12/805830012.db2.gz LAXGSNGWBMYGGJ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112353840 795296647 /nfs/dbraw/zinc/29/66/47/795296647.db2.gz DUXPBIHGMHVGJS-UHFFFAOYSA-N 0 3 349.435 2.125 20 5 EEBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000915628992 796338697 /nfs/dbraw/zinc/33/86/97/796338697.db2.gz LSAXRBWGBHWYDW-UHFFFAOYSA-N 0 3 344.415 2.180 20 5 EEBDHN CCCN(C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC001106809368 796668034 /nfs/dbraw/zinc/66/80/34/796668034.db2.gz MNIGGXINLQTNKU-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN COCCN1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903064 797130169 /nfs/dbraw/zinc/13/01/69/797130169.db2.gz DROLKHQDFFOJKC-KRWDZBQOSA-N 0 3 333.432 2.106 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(C)(=O)=O)cn1 ZINC001173212036 797314665 /nfs/dbraw/zinc/31/46/65/797314665.db2.gz WEOUQGIQDHKTPM-LBPRGKRZSA-N 0 3 349.412 2.114 20 5 EEBDHN Cc1ccc(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)cn1 ZINC001176162172 798375235 /nfs/dbraw/zinc/37/52/35/798375235.db2.gz UIJPTXPMMUDOQU-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109463792 805504212 /nfs/dbraw/zinc/50/42/12/805504212.db2.gz XTQKYZOQRNPPNI-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000790580780 808816494 /nfs/dbraw/zinc/81/64/94/808816494.db2.gz USKXQUDLPRCTFS-SNVBAGLBSA-N 0 3 341.770 2.283 20 5 EEBDHN COc1ccc(C[C@H](C)N[C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329233 809893716 /nfs/dbraw/zinc/89/37/16/809893716.db2.gz YBHZRMSMMWFOAD-BLLLJJGKSA-N 0 3 331.372 2.253 20 5 EEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236746040 535035333 /nfs/dbraw/zinc/03/53/33/535035333.db2.gz SBFXZEAZUHHLRM-GFCCVEGCSA-N 0 3 329.422 2.007 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000078543769 217071628 /nfs/dbraw/zinc/07/16/28/217071628.db2.gz LFOMYAKZOLORDJ-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110997244 220089849 /nfs/dbraw/zinc/08/98/49/220089849.db2.gz RHSVAOQODXKQLY-LBPRGKRZSA-N 0 3 336.348 2.107 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000110998127 220090504 /nfs/dbraw/zinc/09/05/04/220090504.db2.gz CGUHSALMRXERIE-GFCCVEGCSA-N 0 3 331.376 2.075 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ccncc1 ZINC000338073865 296212087 /nfs/dbraw/zinc/21/20/87/296212087.db2.gz PRVGRNVYCKBPNB-GFCCVEGCSA-N 0 3 346.412 2.121 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265206542 247296985 /nfs/dbraw/zinc/29/69/85/247296985.db2.gz AEHUKUMCCZSISX-CQSZACIVSA-N 0 3 344.415 2.350 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccc(O)cc2)CC1 ZINC000090511279 285221249 /nfs/dbraw/zinc/22/12/49/285221249.db2.gz NPZFMRAKJFXKOJ-UHFFFAOYSA-N 0 3 343.383 2.342 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272827309 256242177 /nfs/dbraw/zinc/24/21/77/256242177.db2.gz MAZWBOGXTPUJHQ-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN C[C@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@@H]1C1CC1 ZINC000273071100 256262841 /nfs/dbraw/zinc/26/28/41/256262841.db2.gz OJLDAUVQKXUVNN-MSOLQXFVSA-N 0 3 345.399 2.031 20 5 EEBDHN COCCN(CCN(C)C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000275914082 256387618 /nfs/dbraw/zinc/38/76/18/256387618.db2.gz UPWIRRQQXDBVBR-UHFFFAOYSA-N 0 3 337.420 2.368 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000189565901 533520714 /nfs/dbraw/zinc/52/07/14/533520714.db2.gz JNLBCPVNNKUWAS-HIFRSBDPSA-N 0 3 347.415 2.468 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000192122127 296518359 /nfs/dbraw/zinc/51/83/59/296518359.db2.gz SSZMASQWTHZVLE-ZFWWWQNUSA-N 0 3 338.314 2.189 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000248554328 160349636 /nfs/dbraw/zinc/34/96/36/160349636.db2.gz AHKJYAYGJQVXCC-YPMHNXCESA-N 0 3 334.376 2.304 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106789431 159322351 /nfs/dbraw/zinc/32/23/51/159322351.db2.gz UDWDEWJHADGNFZ-ZDUSSCGKSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342721736 161085751 /nfs/dbraw/zinc/08/57/51/161085751.db2.gz IBIPBUDTJANAPB-GUTXKFCHSA-N 0 3 334.420 2.303 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000343428322 161135278 /nfs/dbraw/zinc/13/52/78/161135278.db2.gz HIYVRTXVZDAEAM-ABAIWWIYSA-N 0 3 330.388 2.218 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068747 161422695 /nfs/dbraw/zinc/42/26/95/161422695.db2.gz OPIXADIXPKXTEF-GXTWGEPZSA-N 0 3 328.372 2.488 20 5 EEBDHN COC(=O)COc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000355741231 163286284 /nfs/dbraw/zinc/28/62/84/163286284.db2.gz UPPKKXLKJDIVPX-BETUJISGSA-N 0 3 334.372 2.234 20 5 EEBDHN CN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000359098029 164058894 /nfs/dbraw/zinc/05/88/94/164058894.db2.gz BXFQINPMFGHZBC-GOSISDBHSA-N 0 3 341.411 2.426 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(CN(C)C)CCC2)c1 ZINC000280867796 269395561 /nfs/dbraw/zinc/39/55/61/269395561.db2.gz AIABYQHLOGJNKY-UHFFFAOYSA-N 0 3 335.404 2.273 20 5 EEBDHN CN(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000097080906 273804516 /nfs/dbraw/zinc/80/45/16/273804516.db2.gz VWPQRDMQAFYGEN-AWEZNQCLSA-N 0 3 329.360 2.414 20 5 EEBDHN C[C@@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344541 274246899 /nfs/dbraw/zinc/24/68/99/274246899.db2.gz UXFCQHPAEAYNEW-RHSMWYFYSA-N 0 3 348.447 2.188 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000277411165 274290965 /nfs/dbraw/zinc/29/09/65/274290965.db2.gz HWXNEAOSYGPTDC-DOMZBBRYSA-N 0 3 333.388 2.160 20 5 EEBDHN Cc1cc(N2C[C@@H](O)[C@H](N(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728909 274713152 /nfs/dbraw/zinc/71/31/52/274713152.db2.gz RNHQZIMXLLWGPR-CHWSQXEVSA-N 0 3 333.310 2.033 20 5 EEBDHN O=C1c2ccccc2C(=O)N1CCCNCc1csc([N+](=O)[O-])c1 ZINC000285427841 274730006 /nfs/dbraw/zinc/73/00/06/274730006.db2.gz HDVRQJYLGLYMQS-UHFFFAOYSA-N 0 3 345.380 2.432 20 5 EEBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000288276844 275041698 /nfs/dbraw/zinc/04/16/98/275041698.db2.gz QXDPEGVJQPSBNW-DGCLKSJQSA-N 0 3 328.376 2.042 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H]2c3ccccc3CC23CCOCC3)n1 ZINC000290155387 275184853 /nfs/dbraw/zinc/18/48/53/275184853.db2.gz OBLWWEVZJDMIOS-KRWDZBQOSA-N 0 3 342.399 2.475 20 5 EEBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000290810063 275242146 /nfs/dbraw/zinc/24/21/46/275242146.db2.gz RBNVIILFMKPKFP-NSHDSACASA-N 0 3 345.193 2.191 20 5 EEBDHN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000290882388 275248913 /nfs/dbraw/zinc/24/89/13/275248913.db2.gz CCKAUMDBPITEMI-RISCZKNCSA-N 0 3 343.387 2.192 20 5 EEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000291436569 275305172 /nfs/dbraw/zinc/30/51/72/275305172.db2.gz MJDQRZAJKKMXIB-UHFFFAOYSA-N 0 3 335.404 2.168 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291621987 275323840 /nfs/dbraw/zinc/32/38/40/275323840.db2.gz CTWJIVDHRQBRDB-RBUKOAKNSA-N 0 3 342.395 2.264 20 5 EEBDHN C[C@H](c1ccccc1)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214378 275395076 /nfs/dbraw/zinc/39/50/76/275395076.db2.gz ONYYLDOTLRPGRD-DYVFJYSZSA-N 0 3 343.383 2.221 20 5 EEBDHN COc1ncccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542057 278095503 /nfs/dbraw/zinc/09/55/03/278095503.db2.gz NWMPROWZSIYKLN-KGLIPLIRSA-N 0 3 331.376 2.468 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000293654595 293262429 /nfs/dbraw/zinc/26/24/29/293262429.db2.gz HEGOMMVIYDIOCO-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000294133525 293378652 /nfs/dbraw/zinc/37/86/52/293378652.db2.gz MNDLWZVSGMDUAS-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000296541223 294003036 /nfs/dbraw/zinc/00/30/36/294003036.db2.gz XWODPDXGYLILFW-ZDUSSCGKSA-N 0 3 334.420 2.417 20 5 EEBDHN C[C@H](CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141121 318070954 /nfs/dbraw/zinc/07/09/54/318070954.db2.gz CTZBLXWHIODAQO-VNHYZAJKSA-N 0 3 340.445 2.329 20 5 EEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccccc1)N(C)C ZINC000546024364 318241563 /nfs/dbraw/zinc/24/15/63/318241563.db2.gz RTSOKCFHEGODAU-MLGOLLRUSA-N 0 3 330.388 2.355 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000565548352 319192947 /nfs/dbraw/zinc/19/29/47/319192947.db2.gz GWGQGMVDHZQEDA-DZGCQCFKSA-N 0 3 332.404 2.010 20 5 EEBDHN CN(C)CC1(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC000296156859 465097102 /nfs/dbraw/zinc/09/71/02/465097102.db2.gz KBYQBTDWWSICRW-UHFFFAOYSA-N 0 3 343.387 2.199 20 5 EEBDHN COc1cc(CN[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533025 465219149 /nfs/dbraw/zinc/21/91/49/465219149.db2.gz PSMKGCQSGHVOIM-ZJUUUORDSA-N 0 3 348.346 2.496 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087032696 462585169 /nfs/dbraw/zinc/58/51/69/462585169.db2.gz AVKNPHWWSBTPPM-UHFFFAOYSA-N 0 3 344.415 2.289 20 5 EEBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C1CC1 ZINC000087138187 462592043 /nfs/dbraw/zinc/59/20/43/462592043.db2.gz LVSJQPQWCSFTSM-GFCCVEGCSA-N 0 3 332.404 2.145 20 5 EEBDHN C[C@@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015504 462766905 /nfs/dbraw/zinc/76/69/05/462766905.db2.gz ZULJWTNRZLATKX-OLZOCXBDSA-N 0 3 341.433 2.041 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000156142720 462984809 /nfs/dbraw/zinc/98/48/09/462984809.db2.gz KJIFOHPLCXGJRA-CYBMUJFWSA-N 0 3 334.376 2.305 20 5 EEBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053372768 463155369 /nfs/dbraw/zinc/15/53/69/463155369.db2.gz SPCXXBWLCFDXGU-MRXNPFEDSA-N 0 3 328.372 2.490 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135635638 463187776 /nfs/dbraw/zinc/18/77/76/463187776.db2.gz CEJVRMOLBNWXOX-PXAZEXFGSA-N 0 3 344.415 2.417 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN[C@@]2(CO)CCc3ccccc32)c1 ZINC000136185190 463226307 /nfs/dbraw/zinc/22/63/07/463226307.db2.gz WJJFTRKSOUGLAI-GOSISDBHSA-N 0 3 328.368 2.397 20 5 EEBDHN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000056191933 463382958 /nfs/dbraw/zinc/38/29/58/463382958.db2.gz QGUDGGXSADUDHL-UHFFFAOYSA-N 0 3 327.384 2.386 20 5 EEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081128870 463397331 /nfs/dbraw/zinc/39/73/31/463397331.db2.gz APJNWSDOPPQRGV-AWEZNQCLSA-N 0 3 328.372 2.269 20 5 EEBDHN C[C@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169395 463487669 /nfs/dbraw/zinc/48/76/69/463487669.db2.gz ZBCZBYIZQWNGRS-RSUWNVLCSA-N 0 3 333.388 2.469 20 5 EEBDHN COc1cccc(N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185186419 463772800 /nfs/dbraw/zinc/77/28/00/463772800.db2.gz VCQUTCWIOYEWKV-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN Cc1cccc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000568744797 468381782 /nfs/dbraw/zinc/38/17/82/468381782.db2.gz GBINSEYSUPIYSV-OAHLLOKOSA-N 0 3 327.388 2.422 20 5 EEBDHN COCC1=CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000185837597 463887955 /nfs/dbraw/zinc/88/79/55/463887955.db2.gz ZGPOTBGBBCSCSO-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN COc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000262232422 463979309 /nfs/dbraw/zinc/97/93/09/463979309.db2.gz OBADAOLMRCJOAC-OAHLLOKOSA-N 0 3 341.367 2.220 20 5 EEBDHN C[C@H]1COCCN1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000568828134 468391287 /nfs/dbraw/zinc/39/12/87/468391287.db2.gz MRLOBFFDWMGCIP-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN Cc1c(CN2CCN(CC3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000172426752 464078027 /nfs/dbraw/zinc/07/80/27/464078027.db2.gz JNTBRFQIUFXMPC-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCN(CC2CCOCC2)CC1 ZINC000172425679 464078721 /nfs/dbraw/zinc/07/87/21/464078721.db2.gz DVECOKUAQWWKFT-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000263677562 464148835 /nfs/dbraw/zinc/14/88/35/464148835.db2.gz HNUVVQLTTQPZFW-AWEZNQCLSA-N 0 3 338.383 2.089 20 5 EEBDHN CCC[C@H](NCCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284357352 464162647 /nfs/dbraw/zinc/16/26/47/464162647.db2.gz MTCDDMUXCWSAHH-AWEZNQCLSA-N 0 3 347.375 2.104 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180777528 464393412 /nfs/dbraw/zinc/39/34/12/464393412.db2.gz RKAALSFMMXDQLB-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264675794 464418718 /nfs/dbraw/zinc/41/87/18/464418718.db2.gz NLMYFHMRKIGZDY-NWDGAFQWSA-N 0 3 337.424 2.121 20 5 EEBDHN COc1cc(CNC[C@@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353641 464575308 /nfs/dbraw/zinc/57/53/08/464575308.db2.gz DOFATMRYLMKCHA-GFCCVEGCSA-N 0 3 348.346 2.354 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000175848293 464641700 /nfs/dbraw/zinc/64/17/00/464641700.db2.gz WDDOIUKXBQBDIU-QWHCGFSZSA-N 0 3 336.417 2.441 20 5 EEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000265730095 464664111 /nfs/dbraw/zinc/66/41/11/464664111.db2.gz ARLQHLPBSRQGDC-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN COc1cc(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1C ZINC000190773837 464717726 /nfs/dbraw/zinc/71/77/26/464717726.db2.gz USPXMCKRHCLZAZ-UHFFFAOYSA-N 0 3 335.404 2.468 20 5 EEBDHN CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000295408309 464820335 /nfs/dbraw/zinc/82/03/35/464820335.db2.gz TXXLRJAHRAUKEK-LBPRGKRZSA-N 0 3 343.387 2.151 20 5 EEBDHN CNC(=O)[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000183645323 464891036 /nfs/dbraw/zinc/89/10/36/464891036.db2.gz FAXRWNNJTINNJU-INIZCTEOSA-N 0 3 346.387 2.153 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286397442 464903730 /nfs/dbraw/zinc/90/37/30/464903730.db2.gz JIRIYMWKHHBBOK-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286494801 464938618 /nfs/dbraw/zinc/93/86/18/464938618.db2.gz RQKZXPRTOTYGAJ-JSGCOSHPSA-N 0 3 348.403 2.230 20 5 EEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239297 464988517 /nfs/dbraw/zinc/98/85/17/464988517.db2.gz UNPHWEFNTAXVTL-OTYXRUKQSA-N 0 3 348.359 2.024 20 5 EEBDHN CCN1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000342483234 465325018 /nfs/dbraw/zinc/32/50/18/465325018.db2.gz YTUVEQVEBHFBPC-GHMZBOCLSA-N 0 3 331.376 2.163 20 5 EEBDHN CCOc1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000356799207 465547491 /nfs/dbraw/zinc/54/74/91/465547491.db2.gz WHAKIOGOUGXRON-ZFWWWQNUSA-N 0 3 325.434 2.475 20 5 EEBDHN O=C1c2ccccc2C(=O)N1CCCNCc1ccccc1[N+](=O)[O-] ZINC000353052408 465602911 /nfs/dbraw/zinc/60/29/11/465602911.db2.gz JYOSXLAYJFUQPK-UHFFFAOYSA-N 0 3 339.351 2.371 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000362259330 465613013 /nfs/dbraw/zinc/61/30/13/465613013.db2.gz DIAJBFIFYDLWLQ-AWEZNQCLSA-N 0 3 347.415 2.498 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154751 468448441 /nfs/dbraw/zinc/44/84/41/468448441.db2.gz NWCCYCSUPSEDSI-VXGBXAGGSA-N 0 3 343.387 2.307 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000330743562 465786069 /nfs/dbraw/zinc/78/60/69/465786069.db2.gz RLHVFXHEFVCRQT-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000361210839 465838478 /nfs/dbraw/zinc/83/84/78/465838478.db2.gz DETAIUZNKVEXCE-HZPDHXFCSA-N 0 3 349.431 2.000 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332313124 466503365 /nfs/dbraw/zinc/50/33/65/466503365.db2.gz IGBBEQDZNFECHG-NEPJUHHUSA-N 0 3 328.372 2.356 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CCOCC2)CC1 ZINC000363658936 466541789 /nfs/dbraw/zinc/54/17/89/466541789.db2.gz DIFZAWCJSRMCAX-UHFFFAOYSA-N 0 3 335.404 2.042 20 5 EEBDHN O=C([C@@H]1CNCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686525 468503065 /nfs/dbraw/zinc/50/30/65/468503065.db2.gz RLVXVVCETXBMLM-AWEZNQCLSA-N 0 3 339.342 2.331 20 5 EEBDHN O=C(C[C@H]1CSCCN1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732296 466816526 /nfs/dbraw/zinc/81/65/26/466816526.db2.gz YZNSEDLJEBWOMC-ZDUSSCGKSA-N 0 3 335.429 2.181 20 5 EEBDHN CN1CCN(C)[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317852 466832128 /nfs/dbraw/zinc/83/21/28/466832128.db2.gz XNHRUVGIDKPPPI-FUHWJXTLSA-N 0 3 332.448 2.198 20 5 EEBDHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425656377 467119792 /nfs/dbraw/zinc/11/97/92/467119792.db2.gz SPECXAOPAHVLLA-DUVNUKRYSA-N 0 3 332.404 2.391 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CNCc2ccccc21 ZINC000392685658 467427780 /nfs/dbraw/zinc/42/77/80/467427780.db2.gz QIRXSGXNUJRVRD-INIZCTEOSA-N 0 3 325.368 2.440 20 5 EEBDHN C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000420643108 467440268 /nfs/dbraw/zinc/44/02/68/467440268.db2.gz VRAFEAHZZDILRR-LBPRGKRZSA-N 0 3 332.404 2.004 20 5 EEBDHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)N1CCO ZINC000450787911 467907789 /nfs/dbraw/zinc/90/77/89/467907789.db2.gz GLHWJWIPIVUHBP-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN CN(C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459545149 467961396 /nfs/dbraw/zinc/96/13/96/467961396.db2.gz FYTJCCFESMHHMS-UHFFFAOYSA-N 0 3 328.800 2.117 20 5 EEBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143991 467998731 /nfs/dbraw/zinc/99/87/31/467998731.db2.gz YVPVSJIOQHAPTM-WCQYABFASA-N 0 3 347.375 2.256 20 5 EEBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000487501843 468041670 /nfs/dbraw/zinc/04/16/70/468041670.db2.gz KQHDHVVQCJFNRB-UHFFFAOYSA-N 0 3 344.371 2.132 20 5 EEBDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487956551 468062770 /nfs/dbraw/zinc/06/27/70/468062770.db2.gz LTPLRJJNDNSSPB-XJKSGUPXSA-N 0 3 334.420 2.194 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195754 468508165 /nfs/dbraw/zinc/50/81/65/468508165.db2.gz IUXGGXUNJMDRLG-HUUCEWRRSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594235244 468523791 /nfs/dbraw/zinc/52/37/91/468523791.db2.gz UNTPPHXROYKWIV-DLBZAZTESA-N 0 3 346.431 2.453 20 5 EEBDHN Nc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418559 468579412 /nfs/dbraw/zinc/57/94/12/468579412.db2.gz KDNJFASVYGAOGC-OLZOCXBDSA-N 0 3 336.367 2.063 20 5 EEBDHN C[C@H](Cc1ccccn1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594519595 468614338 /nfs/dbraw/zinc/61/43/38/468614338.db2.gz WSXYQWUGMCZMLY-GFCCVEGCSA-N 0 3 329.356 2.482 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522785 468615144 /nfs/dbraw/zinc/61/51/44/468615144.db2.gz SVTKNQWDQZBVBT-YPMHNXCESA-N 0 3 345.403 2.330 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCNC3(CCCCC3)C2)c1 ZINC000594628724 468639549 /nfs/dbraw/zinc/63/95/49/468639549.db2.gz DLMKVJWYXYVBKT-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592379992 468686611 /nfs/dbraw/zinc/68/66/11/468686611.db2.gz GWNALFWYZOCGHV-ZYHUDNBSSA-N 0 3 340.401 2.130 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961904 468732050 /nfs/dbraw/zinc/73/20/50/468732050.db2.gz PAGJSYFJEPQWLS-IFMYKAFSSA-N 0 3 326.418 2.383 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220047 468796698 /nfs/dbraw/zinc/79/66/98/468796698.db2.gz OJCYUEVDIYTYFG-LLVKDONJSA-N 0 3 335.408 2.017 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598265344 468811482 /nfs/dbraw/zinc/81/14/82/468811482.db2.gz SEBRTOIEDUSIIH-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000584323116 468843495 /nfs/dbraw/zinc/84/34/95/468843495.db2.gz YSVYXUVDRJAEDY-JJXSEGSLSA-N 0 3 345.399 2.103 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN[C@H](C(C)C)C2)c1 ZINC000598571126 468918570 /nfs/dbraw/zinc/91/85/70/468918570.db2.gz GONGCOXRNPVGPX-AWEZNQCLSA-N 0 3 335.404 2.129 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1 ZINC000598575767 468920343 /nfs/dbraw/zinc/92/03/43/468920343.db2.gz XEMLDMMWHSMXJT-LBPRGKRZSA-N 0 3 343.330 2.266 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(F)cc(F)c2)c1 ZINC000584792287 468937979 /nfs/dbraw/zinc/93/79/79/468937979.db2.gz MCXPXELNODPUQZ-HNNXBMFYSA-N 0 3 338.310 2.403 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000593392697 468961067 /nfs/dbraw/zinc/96/10/67/468961067.db2.gz VGMQCSZEWRJFDI-UHFFFAOYSA-N 0 3 344.346 2.020 20 5 EEBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639254 468982801 /nfs/dbraw/zinc/98/28/01/468982801.db2.gz IESIDJKUMMKLIJ-TVQRCGJNSA-N 0 3 334.294 2.243 20 5 EEBDHN CC(C)[C@@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783300 469070514 /nfs/dbraw/zinc/07/05/14/469070514.db2.gz JCIBHBVCWZURQV-SJLPKXTDSA-N 0 3 344.415 2.408 20 5 EEBDHN CC(C)c1ccc(CNCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990707 469078924 /nfs/dbraw/zinc/07/89/24/469078924.db2.gz REJUXSPTICJEOF-INIZCTEOSA-N 0 3 348.447 2.148 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCNC2 ZINC000595920828 469083700 /nfs/dbraw/zinc/08/37/00/469083700.db2.gz XKOKDTZHJRNGAU-UHFFFAOYSA-N 0 3 331.397 2.275 20 5 EEBDHN COc1cccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000596055629 469130052 /nfs/dbraw/zinc/13/00/52/469130052.db2.gz TZWUPUSYSVXGQA-AWEZNQCLSA-N 0 3 332.360 2.419 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000596269588 469227286 /nfs/dbraw/zinc/22/72/86/469227286.db2.gz UQOYUSQLRISBRV-GFCCVEGCSA-N 0 3 336.392 2.087 20 5 EEBDHN COc1ccc(OCCN(C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000611529256 469273338 /nfs/dbraw/zinc/27/33/38/469273338.db2.gz DJUSKGYAKLAKNI-UHFFFAOYSA-N 0 3 334.376 2.119 20 5 EEBDHN NC(=O)c1cc(NC[C@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558210 469300404 /nfs/dbraw/zinc/30/04/04/469300404.db2.gz OZQKWGMSXOKSKX-OAHLLOKOSA-N 0 3 340.383 2.380 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2cccnc2N2CCOCC2)cc1 ZINC000602509140 469343463 /nfs/dbraw/zinc/34/34/63/469343463.db2.gz OOFCPASNVLNHIW-UHFFFAOYSA-N 0 3 342.399 2.159 20 5 EEBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000602554276 469358781 /nfs/dbraw/zinc/35/87/81/469358781.db2.gz DXZQVJCYNNOVSR-LBPRGKRZSA-N 0 3 330.392 2.043 20 5 EEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000610296529 470001530 /nfs/dbraw/zinc/00/15/30/470001530.db2.gz ALKAZCADLSVMFH-CQSZACIVSA-N 0 3 328.372 2.269 20 5 EEBDHN COc1ccc(OCCN[C@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610369442 470008494 /nfs/dbraw/zinc/00/84/94/470008494.db2.gz OBHVTKBBNXHISY-GOSISDBHSA-N 0 3 346.383 2.480 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000190163858 534306855 /nfs/dbraw/zinc/30/68/55/534306855.db2.gz MCAPYCOHCQXVFN-OAHLLOKOSA-N 0 3 344.371 2.491 20 5 EEBDHN CC1([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183865495 528053290 /nfs/dbraw/zinc/05/32/90/528053290.db2.gz YPNIIWZXZIFFGI-ZBFHGGJFSA-N 0 3 336.388 2.103 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000730807379 577058490 /nfs/dbraw/zinc/05/84/90/577058490.db2.gz VIRLQRGKVMTNMC-CQSZACIVSA-N 0 3 332.404 2.019 20 5 EEBDHN COCCOc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000751501851 577754350 /nfs/dbraw/zinc/75/43/50/577754350.db2.gz PNBYENLBLUGIDT-KRWDZBQOSA-N 0 3 346.383 2.443 20 5 EEBDHN Cc1nc(C)c(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001021931170 676551725 /nfs/dbraw/zinc/55/17/25/676551725.db2.gz SOXIIGAMRYXTRN-OKILXGFUSA-N 0 3 344.371 2.250 20 5 EEBDHN O=C(Cc1cncs1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022241638 676758965 /nfs/dbraw/zinc/75/89/65/676758965.db2.gz VHTDSMCLEIWKTI-BETUJISGSA-N 0 3 346.412 2.031 20 5 EEBDHN O=C(Cc1cscn1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022817685 678598584 /nfs/dbraw/zinc/59/85/84/678598584.db2.gz ASLSFDVJZPXKDL-BETUJISGSA-N 0 3 346.412 2.031 20 5 EEBDHN CCCN1CC[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894592848 682989378 /nfs/dbraw/zinc/98/93/78/682989378.db2.gz NZPVDYGCTNTRFH-GFCCVEGCSA-N 0 3 330.388 2.343 20 5 EEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707784 683043633 /nfs/dbraw/zinc/04/36/33/683043633.db2.gz PFJQBTMTGAZXJA-MJBXVCDLSA-N 0 3 336.388 2.434 20 5 EEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707784 683043639 /nfs/dbraw/zinc/04/36/39/683043639.db2.gz PFJQBTMTGAZXJA-MJBXVCDLSA-N 0 3 336.388 2.434 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CN(C)CCN1C ZINC000895248222 684374757 /nfs/dbraw/zinc/37/47/57/684374757.db2.gz KQWSWUSHYKISIH-SJKOYZFVSA-N 0 3 329.404 2.189 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000872037929 1198033596 /nfs/dbraw/zinc/03/35/96/1198033596.db2.gz HDVLEMWPYNZWTR-HZMBPMFUSA-N 0 3 336.417 2.434 20 5 EEBDHN CC(COC(=O)c1cnnn1-c1c(Cl)cccc1Cl)[N+](=O)[O-] ZINC000813114550 1201124643 /nfs/dbraw/zinc/12/46/43/1201124643.db2.gz CPIGKLBBGWAOFY-ZETCQYMHSA-N 0 3 345.142 2.396 20 5 EEBDHN COc1ccc(CN(CCO)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000880569562 1201525440 /nfs/dbraw/zinc/52/54/40/1201525440.db2.gz HNNYRHHENJCDGM-UHFFFAOYSA-N 0 3 346.383 2.477 20 5 EEBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095574656 1205879491 /nfs/dbraw/zinc/87/94/91/1205879491.db2.gz HRXCEPCGPACXMT-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN CCCN(CCNC(=O)Cc1nc[nH]c1C)c1ccccc1[N+](=O)[O-] ZINC001101164689 1245472182 /nfs/dbraw/zinc/47/21/82/1245472182.db2.gz WVGCZJLJYZTLMG-UHFFFAOYSA-N 0 3 345.403 2.202 20 5 EEBDHN O=C(NCc1cccc2c1CCN(C/C=C\Cl)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051290736 1245486327 /nfs/dbraw/zinc/48/63/27/1245486327.db2.gz DQRUJRVZUAYBGM-KINJUXITSA-N 0 3 349.818 2.079 20 5 EEBDHN CC(COC(=O)[C@@]1(C)CC1(Br)Br)[N+](=O)[O-] ZINC000851036227 1277447637 /nfs/dbraw/zinc/44/76/37/1277447637.db2.gz GOMLOVOAFFJMOP-IYSWYEEDSA-N 0 3 344.987 2.091 20 5 EEBDHN CC([C@@H](OC(=O)c1cn(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000860854450 1295142599 /nfs/dbraw/zinc/14/25/99/1295142599.db2.gz AERCCFQIMINKNF-YMTOWFKASA-N 0 3 334.307 2.315 20 5 EEBDHN Cc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001233664993 1304550812 /nfs/dbraw/zinc/55/08/12/1304550812.db2.gz COCQJOQEVGCNSS-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN COCC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115368316 1304995281 /nfs/dbraw/zinc/99/52/81/1304995281.db2.gz MCQIZRTZQBCRNL-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001120874088 1309805813 /nfs/dbraw/zinc/80/58/13/1309805813.db2.gz IQVZBIJUPMTYOQ-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840951988 1315444517 /nfs/dbraw/zinc/44/45/17/1315444517.db2.gz GHQQJPFCSXDRAJ-RYUDHWBXSA-N 0 3 347.824 2.009 20 5 EEBDHN COc1ccccc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150170074 1316189246 /nfs/dbraw/zinc/18/92/46/1316189246.db2.gz JZRKGKQBKGBUCW-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)c3ccccn3)CC2)cc1 ZINC001254469707 1318083140 /nfs/dbraw/zinc/08/31/40/1318083140.db2.gz XSLZQSHWHRGNLF-GOSISDBHSA-N 0 3 342.399 2.282 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2CCOC2=O)CC1 ZINC001254560405 1318120217 /nfs/dbraw/zinc/12/02/17/1318120217.db2.gz RUNCLNREODCLKZ-ZDUSSCGKSA-N 0 3 333.388 2.442 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ncccn2)C1 ZINC001254571654 1318126670 /nfs/dbraw/zinc/12/66/70/1318126670.db2.gz ZWVJKVYFSJCMMA-ZFWWWQNUSA-N 0 3 328.372 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001254603740 1318141046 /nfs/dbraw/zinc/14/10/46/1318141046.db2.gz QNLJRJJSKNCHML-QGZVFWFLSA-N 0 3 339.399 2.064 20 5 EEBDHN Cc1ncccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001165451263 1321528559 /nfs/dbraw/zinc/52/85/59/1321528559.db2.gz TUMKDNIYTVZFLK-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(C)(C)C)CC1 ZINC001319512897 1332714589 /nfs/dbraw/zinc/71/45/89/1332714589.db2.gz LIPWOYSRVVVESY-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113770 1351849661 /nfs/dbraw/zinc/84/96/61/1351849661.db2.gz GUSSURPNLHWWCO-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113770 1351849664 /nfs/dbraw/zinc/84/96/64/1351849664.db2.gz GUSSURPNLHWWCO-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001609275254 1351918577 /nfs/dbraw/zinc/91/85/77/1351918577.db2.gz QCPLICJYKANSNZ-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001609275254 1351918579 /nfs/dbraw/zinc/91/85/79/1351918579.db2.gz QCPLICJYKANSNZ-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001609275254 1351918581 /nfs/dbraw/zinc/91/85/81/1351918581.db2.gz QCPLICJYKANSNZ-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001609275254 1351918584 /nfs/dbraw/zinc/91/85/84/1351918584.db2.gz QCPLICJYKANSNZ-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH+]1CCC(C2CC2)CC1 ZINC001609602319 1352031699 /nfs/dbraw/zinc/03/16/99/1352031699.db2.gz IUPSUOCNSMWQPN-UHFFFAOYSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H](F)C2)cc1 ZINC001336841708 1336603702 /nfs/dbraw/zinc/60/37/02/1336603702.db2.gz XZQLHAZZKKBDIS-RYUDHWBXSA-N 0 3 330.381 2.239 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479937 1349813488 /nfs/dbraw/zinc/81/34/88/1349813488.db2.gz CLDSYFPTJZEQNT-STQMWFEESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001593479937 1349813491 /nfs/dbraw/zinc/81/34/91/1349813491.db2.gz CLDSYFPTJZEQNT-STQMWFEESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479937 1349813495 /nfs/dbraw/zinc/81/34/95/1349813495.db2.gz CLDSYFPTJZEQNT-STQMWFEESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001593479937 1349813499 /nfs/dbraw/zinc/81/34/99/1349813499.db2.gz CLDSYFPTJZEQNT-STQMWFEESA-N 0 3 343.391 2.204 20 5 EEBDHN CC(C)(C[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562880 1372336380 /nfs/dbraw/zinc/33/63/80/1372336380.db2.gz ATPZBUGDOBAOTR-BBRMVZONSA-N 0 3 349.431 2.242 20 5 EEBDHN COc1cc2ncnc(N3C[C@@H](C)N(C)C[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164642506 719201149 /nfs/dbraw/zinc/20/11/49/719201149.db2.gz WAZMNJJEVHNCSB-MNOVXSKESA-N 0 3 331.376 2.075 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000840252603 782457989 /nfs/dbraw/zinc/45/79/89/782457989.db2.gz XSUJRRTZDHHLOJ-GXSJLCMTSA-N 0 3 346.309 2.284 20 5 EEBDHN CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C)C1 ZINC000893603199 774534996 /nfs/dbraw/zinc/53/49/96/774534996.db2.gz UVFCJNLFSTUNQM-CYBMUJFWSA-N 0 3 340.811 2.484 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccc(C)cc2)C1 ZINC000950055917 775880623 /nfs/dbraw/zinc/88/06/23/775880623.db2.gz QNOHGFIWPIDIGN-QZTJIDSGSA-N 0 3 345.443 2.126 20 5 EEBDHN COc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000906355786 783861936 /nfs/dbraw/zinc/86/19/36/783861936.db2.gz JIMIZTLPMZWUCT-UHFFFAOYSA-N 0 3 335.404 2.484 20 5 EEBDHN O=C1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979943 785348061 /nfs/dbraw/zinc/34/80/61/785348061.db2.gz XSXQVUOFLKGXOD-PBHICJAKSA-N 0 3 341.367 2.023 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107205147 786396813 /nfs/dbraw/zinc/39/68/13/786396813.db2.gz VZFVJNVQEGLFMP-VOTSOKGWSA-N 0 3 334.420 2.329 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000821354767 786712692 /nfs/dbraw/zinc/71/26/92/786712692.db2.gz NGWCLAGXQFWRKV-UONOGXRCSA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107285503 786721422 /nfs/dbraw/zinc/72/14/22/786721422.db2.gz PILXOZVHCAWPSL-ONEGZZNKSA-N 0 3 343.387 2.262 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845662208 789912678 /nfs/dbraw/zinc/91/26/78/789912678.db2.gz CHUYFGDFUMPRHH-ZDUSSCGKSA-N 0 3 344.371 2.422 20 5 EEBDHN CO[C@H](CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040058 803582857 /nfs/dbraw/zinc/58/28/57/803582857.db2.gz XITFMFQRELKHHV-BHIYHBOVSA-N 0 3 347.459 2.437 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054383 803597096 /nfs/dbraw/zinc/59/70/96/803597096.db2.gz LPVMQKUDXSRIMZ-WCFLWFBJSA-N 0 3 343.225 2.338 20 5 EEBDHN Cn1cc(Cl)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131075421 812373799 /nfs/dbraw/zinc/37/37/99/812373799.db2.gz GPGCUEQSWFRCIM-UHFFFAOYSA-N 0 3 336.779 2.106 20 5 EEBDHN Cc1nc(C)c(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001131548147 812973545 /nfs/dbraw/zinc/97/35/45/812973545.db2.gz GDZPQBQEZSSJPQ-UHFFFAOYSA-N 0 3 348.428 2.117 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000426930818 241358161 /nfs/dbraw/zinc/35/81/61/241358161.db2.gz FFMLNKJYBHCERF-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1nn(C)c(C)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541492 242287298 /nfs/dbraw/zinc/28/72/98/242287298.db2.gz MQCOTQURUZEYJL-GJZGRUSLSA-N 0 3 332.408 2.415 20 5 EEBDHN C[C@H](N[C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617352 243177773 /nfs/dbraw/zinc/17/77/73/243177773.db2.gz XPYYBWKTGQQZRH-YMRXKLBXSA-N 0 3 347.415 2.309 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857403 203058694 /nfs/dbraw/zinc/05/86/94/203058694.db2.gz OTSZIHWGLVBZFO-QGZVFWFLSA-N 0 3 333.432 2.182 20 5 EEBDHN CN(CC1CCN(C)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486973565 245517937 /nfs/dbraw/zinc/51/79/37/245517937.db2.gz UKFQPVXIMPTLKV-UHFFFAOYSA-N 0 3 331.376 2.423 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126540554 205060607 /nfs/dbraw/zinc/06/06/07/205060607.db2.gz UCWBUUAXMDLIMN-UHFFFAOYSA-N 0 3 334.420 2.121 20 5 EEBDHN CSCC[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000157257237 206125523 /nfs/dbraw/zinc/12/55/23/206125523.db2.gz SVOMEYHVTQUYRP-NSHDSACASA-N 0 3 335.389 2.004 20 5 EEBDHN COc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000265018472 247138953 /nfs/dbraw/zinc/13/89/53/247138953.db2.gz CEYKPDYQZYPYEO-CYBMUJFWSA-N 0 3 335.404 2.484 20 5 EEBDHN Cc1c(CN(C)C[C@H](O)COCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265220033 247309877 /nfs/dbraw/zinc/30/98/77/247309877.db2.gz GOBLQIDUVGBJGG-INIZCTEOSA-N 0 3 340.420 2.138 20 5 EEBDHN C[C@H]1CSCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249028701 206328785 /nfs/dbraw/zinc/32/87/85/206328785.db2.gz LTZCIUQGVYCFRP-CHWSQXEVSA-N 0 3 326.418 2.019 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000266010129 248025714 /nfs/dbraw/zinc/02/57/14/248025714.db2.gz PYBWCZPVELHDQJ-CYBMUJFWSA-N 0 3 346.431 2.265 20 5 EEBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176951136 285079685 /nfs/dbraw/zinc/07/96/85/285079685.db2.gz WKAJMWJETGVUIA-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1Cc1ccccc1 ZINC000268126612 256116334 /nfs/dbraw/zinc/11/63/34/256116334.db2.gz DABPIYCOYSCYAO-OCCSQVGLSA-N 0 3 328.372 2.316 20 5 EEBDHN Cc1ccnc(NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000270738703 256166776 /nfs/dbraw/zinc/16/67/76/256166776.db2.gz UDOHWOGVCTVRNW-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000273531366 256304256 /nfs/dbraw/zinc/30/42/56/256304256.db2.gz RINYENXYPSIDFX-GJZGRUSLSA-N 0 3 335.429 2.247 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274031259 256347959 /nfs/dbraw/zinc/34/79/59/256347959.db2.gz NURWSSQCMNVCLN-ZJUUUORDSA-N 0 3 327.768 2.201 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000275964559 256391008 /nfs/dbraw/zinc/39/10/08/256391008.db2.gz KXLQHGYHMGNCDB-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CC(C)N1C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H](C)C1 ZINC000125610183 292298335 /nfs/dbraw/zinc/29/83/35/292298335.db2.gz RSKSRHKJNLWJEZ-BBRMVZONSA-N 0 3 346.431 2.391 20 5 EEBDHN CCOc1cc(NCCCN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092607663 159224145 /nfs/dbraw/zinc/22/41/45/159224145.db2.gz IKMMEXXNHCJMHN-UHFFFAOYSA-N 0 3 336.436 2.433 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344722176 161239608 /nfs/dbraw/zinc/23/96/08/161239608.db2.gz JEYADLYDFZOOAZ-GFCCVEGCSA-N 0 3 349.435 2.217 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344722176 161239609 /nfs/dbraw/zinc/23/96/09/161239609.db2.gz JEYADLYDFZOOAZ-GFCCVEGCSA-N 0 3 349.435 2.217 20 5 EEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN2CCC[C@@H]2C1 ZINC000344946641 161258456 /nfs/dbraw/zinc/25/84/56/161258456.db2.gz XGOSWMOEWZLBPM-VXGBXAGGSA-N 0 3 339.417 2.037 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000345304079 161290004 /nfs/dbraw/zinc/29/00/04/161290004.db2.gz LMRAMJNAIZPRCW-UHFFFAOYSA-N 0 3 336.373 2.244 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000346721632 161396107 /nfs/dbraw/zinc/39/61/07/161396107.db2.gz QMXYMCRHFVWUQO-HNNXBMFYSA-N 0 3 335.404 2.086 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352574332 162195480 /nfs/dbraw/zinc/19/54/80/162195480.db2.gz GDRXZFLBOZQXFS-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000352803003 162292544 /nfs/dbraw/zinc/29/25/44/162292544.db2.gz NHWBBGHMCXSOGM-HOCLYGCPSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000355662256 163262855 /nfs/dbraw/zinc/26/28/55/163262855.db2.gz BCWORGSIUOJMBU-SECBINFHSA-N 0 3 348.325 2.363 20 5 EEBDHN CNc1c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000356272816 163387880 /nfs/dbraw/zinc/38/78/80/163387880.db2.gz DCWAMRBHPXFFRW-QGZVFWFLSA-N 0 3 332.404 2.194 20 5 EEBDHN Cc1ccccc1CN1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370000603 166373379 /nfs/dbraw/zinc/37/33/79/166373379.db2.gz ZBFCGYIRIRCBPI-UHFFFAOYSA-N 0 3 343.431 2.308 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)c(N)c([N+](=O)[O-])c1 ZINC000375969407 167238154 /nfs/dbraw/zinc/23/81/54/167238154.db2.gz OWINJRQIXWWAJU-HNNXBMFYSA-N 0 3 340.383 2.102 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664028 274770915 /nfs/dbraw/zinc/77/09/15/274770915.db2.gz FMKGQGGBTLDUHI-ZIAGYGMSSA-N 0 3 333.388 2.059 20 5 EEBDHN COCCCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000291229379 275284376 /nfs/dbraw/zinc/28/43/76/275284376.db2.gz OZIAOFFQAKFKOF-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN CC(C)(NCCCN1C(=O)NC(C)(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000292239813 275399460 /nfs/dbraw/zinc/39/94/60/275399460.db2.gz WOADAXKQWVAJSR-UHFFFAOYSA-N 0 3 348.403 2.140 20 5 EEBDHN CC(C)c1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423699201 276051260 /nfs/dbraw/zinc/05/12/60/276051260.db2.gz PBTIWMSTKNBWKN-ZDUSSCGKSA-N 0 3 327.331 2.445 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345668316 278366171 /nfs/dbraw/zinc/36/61/71/278366171.db2.gz SGAMTCHLEOELCS-LBPRGKRZSA-N 0 3 328.372 2.309 20 5 EEBDHN C[C@H](NCCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081187 293027192 /nfs/dbraw/zinc/02/71/92/293027192.db2.gz LUXINVBWOJRAFV-LBPRGKRZSA-N 0 3 344.419 2.388 20 5 EEBDHN O=[N+]([O-])c1cccnc1NCCCN1CCN(c2ccncc2)CC1 ZINC000299550584 294771313 /nfs/dbraw/zinc/77/13/13/294771313.db2.gz LGDLFHODUCBOGN-UHFFFAOYSA-N 0 3 342.403 2.009 20 5 EEBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000441376042 315183774 /nfs/dbraw/zinc/18/37/74/315183774.db2.gz IZOMSUHBDFYLPG-GXTWGEPZSA-N 0 3 349.387 2.392 20 5 EEBDHN CCc1cnccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514668642 316408975 /nfs/dbraw/zinc/40/89/75/316408975.db2.gz IXHFHUVYWAOSOY-MRXNPFEDSA-N 0 3 331.372 2.082 20 5 EEBDHN CC(C)n1cc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503344 318160059 /nfs/dbraw/zinc/16/00/59/318160059.db2.gz NDYICHPIOJKPBM-ZFWWWQNUSA-N 0 3 348.403 2.463 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354630678 465064397 /nfs/dbraw/zinc/06/43/97/465064397.db2.gz VTOIUIQQVKXDKR-OLZOCXBDSA-N 0 3 341.433 2.088 20 5 EEBDHN CC(=O)NCC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347658571 465153525 /nfs/dbraw/zinc/15/35/25/465153525.db2.gz WDBCCWGMNMOVFA-OAHLLOKOSA-N 0 3 335.404 2.212 20 5 EEBDHN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)(C)CN(C)C ZINC000342352227 465311247 /nfs/dbraw/zinc/31/12/47/465311247.db2.gz UGFHKVSMBFJDEM-JTQLQIEISA-N 0 3 333.392 2.632 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000115443560 462715442 /nfs/dbraw/zinc/71/54/42/462715442.db2.gz NCBCMKCIVORXPU-CQSZACIVSA-N 0 3 334.420 2.197 20 5 EEBDHN CN(C)CCn1nnnc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115965632 462735914 /nfs/dbraw/zinc/73/59/14/462735914.db2.gz IEBDIRJMAWSNDE-UHFFFAOYSA-N 0 3 342.812 2.089 20 5 EEBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000090015346 462767078 /nfs/dbraw/zinc/76/70/78/462767078.db2.gz FYNISFKKJZBQJQ-GFCCVEGCSA-N 0 3 341.433 2.041 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394398 462787869 /nfs/dbraw/zinc/78/78/69/462787869.db2.gz OYXUBTGRZMDHMS-OLZOCXBDSA-N 0 3 345.403 2.307 20 5 EEBDHN CN(C)Cc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000065625093 462814780 /nfs/dbraw/zinc/81/47/80/462814780.db2.gz CJJYIPJJRRVQQN-UHFFFAOYSA-N 0 3 331.376 2.227 20 5 EEBDHN CCN1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000118825796 462854661 /nfs/dbraw/zinc/85/46/61/462854661.db2.gz QLPRSEFFGMNWKZ-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067914242 463065898 /nfs/dbraw/zinc/06/58/98/463065898.db2.gz IGNQUIQSKGQGDQ-AWEZNQCLSA-N 0 3 349.431 2.383 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134882813 463090980 /nfs/dbraw/zinc/09/09/80/463090980.db2.gz NBVVKYVJNPQQCP-ZDUSSCGKSA-N 0 3 344.415 2.419 20 5 EEBDHN Cc1nn(C)c(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078507033 463123830 /nfs/dbraw/zinc/12/38/30/463123830.db2.gz XWWVPCUPUHKGDM-OAHLLOKOSA-N 0 3 329.404 2.347 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000078869521 463157301 /nfs/dbraw/zinc/15/73/01/463157301.db2.gz RUVCBHJIHXYGSJ-RDJZCZTQSA-N 0 3 342.399 2.285 20 5 EEBDHN COc1ccc(CC(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000069377979 463237226 /nfs/dbraw/zinc/23/72/26/463237226.db2.gz NTQXVUPUIFPHIQ-UHFFFAOYSA-N 0 3 335.404 2.138 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057719915 463513854 /nfs/dbraw/zinc/51/38/54/463513854.db2.gz PQMDQVOYXIVCEO-ZDUSSCGKSA-N 0 3 346.431 2.408 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](N4CCCC4)C3)n2)c1 ZINC000170741650 463701740 /nfs/dbraw/zinc/70/17/40/463701740.db2.gz SNUZSONMZFMMFR-HNNXBMFYSA-N 0 3 343.387 2.315 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219861 463837568 /nfs/dbraw/zinc/83/75/68/463837568.db2.gz QEEFFRZLPKSLPM-VXGBXAGGSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219861 463837574 /nfs/dbraw/zinc/83/75/74/463837574.db2.gz QEEFFRZLPKSLPM-VXGBXAGGSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269015276 463846587 /nfs/dbraw/zinc/84/65/87/463846587.db2.gz BUQAOCBBKGRKDT-LBPRGKRZSA-N 0 3 348.325 2.125 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000287772160 463995664 /nfs/dbraw/zinc/99/56/64/463995664.db2.gz IAGWAHGMIXCDOB-GHMZBOCLSA-N 0 3 334.376 2.122 20 5 EEBDHN CCc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000174193971 464375148 /nfs/dbraw/zinc/37/51/48/464375148.db2.gz WVSMKPXEKZQBRN-MRXNPFEDSA-N 0 3 349.431 2.340 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537768 464503872 /nfs/dbraw/zinc/50/38/72/464503872.db2.gz SZYVMTDEKOXTOE-WBMJQRKESA-N 0 3 332.356 2.391 20 5 EEBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000294623003 464555781 /nfs/dbraw/zinc/55/57/81/464555781.db2.gz XYAVRROTPSKTLM-CQSZACIVSA-N 0 3 347.415 2.406 20 5 EEBDHN COc1cc(CN[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399258 464592126 /nfs/dbraw/zinc/59/21/26/464592126.db2.gz JSPPVTYYQHWZLH-SECBINFHSA-N 0 3 334.319 2.108 20 5 EEBDHN CCN1CCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499955 464634189 /nfs/dbraw/zinc/63/41/89/464634189.db2.gz GREISIWGNBMNAH-IRXDYDNUSA-N 0 3 343.431 2.492 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247452253 464681662 /nfs/dbraw/zinc/68/16/62/464681662.db2.gz QHMNFCCQSRCVCB-UKRRQHHQSA-N 0 3 334.420 2.195 20 5 EEBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000248664531 464784195 /nfs/dbraw/zinc/78/41/95/464784195.db2.gz JYTNLKKQPJDIGY-KBPBESRZSA-N 0 3 344.415 2.343 20 5 EEBDHN CO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875942 464994082 /nfs/dbraw/zinc/99/40/82/464994082.db2.gz FXYNOJNKURMVBW-CJNGLKHVSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000342918225 465387087 /nfs/dbraw/zinc/38/70/87/465387087.db2.gz YSJDERJGDMKEHO-UHFFFAOYSA-N 0 3 345.403 2.433 20 5 EEBDHN Cc1cc(NCCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360935798 465645881 /nfs/dbraw/zinc/64/58/81/465645881.db2.gz YJLKDSVSJRTODU-UHFFFAOYSA-N 0 3 344.415 2.396 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330588525 465718454 /nfs/dbraw/zinc/71/84/54/465718454.db2.gz UJIAVYUGCGFBEY-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000569184504 468450287 /nfs/dbraw/zinc/45/02/87/468450287.db2.gz PNNNKQBWCZAGLW-MRXNPFEDSA-N 0 3 347.415 2.210 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000338053791 465784013 /nfs/dbraw/zinc/78/40/13/465784013.db2.gz XJEUHJSYNCRUQN-ZFWWWQNUSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331727300 466220773 /nfs/dbraw/zinc/22/07/73/466220773.db2.gz NXXOQFJWFFPRNU-WMLDXEAASA-N 0 3 345.403 2.083 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205566 466727787 /nfs/dbraw/zinc/72/77/87/466727787.db2.gz UIIWRJSDYAVNFU-QZTJIDSGSA-N 0 3 346.358 2.361 20 5 EEBDHN CCOC(=O)c1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676366 466885152 /nfs/dbraw/zinc/88/51/52/466885152.db2.gz WEMRIIRJPKHNKS-KBPBESRZSA-N 0 3 349.387 2.047 20 5 EEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965635 466950622 /nfs/dbraw/zinc/95/06/22/466950622.db2.gz KIVOHVLHZVCZMT-GOSISDBHSA-N 0 3 325.368 2.224 20 5 EEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412087489 467002982 /nfs/dbraw/zinc/00/29/82/467002982.db2.gz GZMMWGKNSFSMAQ-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425497431 467099332 /nfs/dbraw/zinc/09/93/32/467099332.db2.gz CPRVESXTZVMEOV-JKSUJKDBSA-N 0 3 341.415 2.035 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)CN1CCO ZINC000419002700 467160822 /nfs/dbraw/zinc/16/08/22/467160822.db2.gz PWLLGJNQRNEWDB-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN COc1cc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000431952603 467205327 /nfs/dbraw/zinc/20/53/27/467205327.db2.gz KXKVCPVULTXXGY-WMLDXEAASA-N 0 3 346.387 2.265 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018806 467291839 /nfs/dbraw/zinc/29/18/39/467291839.db2.gz IAMCSJWRNGYNKZ-KEYYUXOJSA-N 0 3 346.431 2.195 20 5 EEBDHN Cc1cc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431484034 467519992 /nfs/dbraw/zinc/51/99/92/467519992.db2.gz PIRYQZRYTZJZBP-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000457095803 467751450 /nfs/dbraw/zinc/75/14/50/467751450.db2.gz QIEUGFLJRZRVSK-NSHDSACASA-N 0 3 339.367 2.297 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637910 467944431 /nfs/dbraw/zinc/94/44/31/467944431.db2.gz WCUVSNHMIQXWQO-AZHAFVHUSA-N 0 3 333.388 2.325 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCn3ccnc3C2)c1 ZINC000494430752 468055420 /nfs/dbraw/zinc/05/54/20/468055420.db2.gz BLZASQCPMNVPBG-NSHDSACASA-N 0 3 338.314 2.497 20 5 EEBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691982 468185473 /nfs/dbraw/zinc/18/54/73/468185473.db2.gz LGCGDKABPFZTLD-HUUCEWRRSA-N 0 3 346.383 2.392 20 5 EEBDHN COc1ccc(OCCN(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593113364 468875377 /nfs/dbraw/zinc/87/53/77/468875377.db2.gz ZJFMQBBTVCPMPL-UHFFFAOYSA-N 0 3 337.420 2.400 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000572544217 468948328 /nfs/dbraw/zinc/94/83/28/468948328.db2.gz MGIGLZGRMFWDTO-UHFFFAOYSA-N 0 3 329.360 2.474 20 5 EEBDHN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c[n-]nc1[N+](=O)[O-] ZINC000572544217 468948334 /nfs/dbraw/zinc/94/83/34/468948334.db2.gz MGIGLZGRMFWDTO-UHFFFAOYSA-N 0 3 329.360 2.474 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000602803917 469086592 /nfs/dbraw/zinc/08/65/92/469086592.db2.gz GZDDLTJCOZDLNS-OAHLLOKOSA-N 0 3 334.351 2.392 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602843317 469112583 /nfs/dbraw/zinc/11/25/83/469112583.db2.gz GMZBAJMYEDHGQP-HNNXBMFYSA-N 0 3 343.431 2.306 20 5 EEBDHN COc1ccccc1COC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000562987946 469125531 /nfs/dbraw/zinc/12/55/31/469125531.db2.gz VPGVEYVCODYINJ-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN CC1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)CC1 ZINC000596128507 469168329 /nfs/dbraw/zinc/16/83/29/469168329.db2.gz JQUZBZDYHIBGKK-UHFFFAOYSA-N 0 3 346.431 2.394 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCSCC2)CC1 ZINC000602950139 469185726 /nfs/dbraw/zinc/18/57/26/469185726.db2.gz JWOIJHCQNXLEJG-UHFFFAOYSA-N 0 3 337.445 2.366 20 5 EEBDHN CN(C)CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602230224 469249900 /nfs/dbraw/zinc/24/99/00/469249900.db2.gz KYEMNZSSTOAIDK-UHFFFAOYSA-N 0 3 330.344 2.183 20 5 EEBDHN O=[N+]([O-])c1ncccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000611617953 469293780 /nfs/dbraw/zinc/29/37/80/469293780.db2.gz DQTWFUARKSUQSI-OAHLLOKOSA-N 0 3 328.372 2.169 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCO[C@]4(CCOC4)C3)nc2c1 ZINC000602580878 469370725 /nfs/dbraw/zinc/37/07/25/469370725.db2.gz DYHYVYYNWMHNRN-BDJLRTHQSA-N 0 3 333.344 2.164 20 5 EEBDHN CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000603705696 469424696 /nfs/dbraw/zinc/42/46/96/469424696.db2.gz FEYGMMNVCFNPIY-UHFFFAOYSA-N 0 3 332.360 2.126 20 5 EEBDHN CC(C)N(CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586622 576277960 /nfs/dbraw/zinc/27/79/60/576277960.db2.gz LPRXKRUWBLJIBI-UHFFFAOYSA-N 0 3 346.387 2.441 20 5 EEBDHN CO[C@H](CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004432 577470915 /nfs/dbraw/zinc/47/09/15/577470915.db2.gz ACDBGWGSDBMTDC-JOYOIKCWSA-N 0 3 349.309 2.479 20 5 EEBDHN COC(=O)C[C@@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682051 577601615 /nfs/dbraw/zinc/60/16/15/577601615.db2.gz YPQLEOFMCDOHLT-PFWMLDTASA-N 0 3 334.372 2.310 20 5 EEBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169951 577821076 /nfs/dbraw/zinc/82/10/76/577821076.db2.gz PBUPZDPZXDXZJP-LKFCYVNXSA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402379 609605723 /nfs/dbraw/zinc/60/57/23/609605723.db2.gz WFQUBMQJQZRIMF-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402379 609605725 /nfs/dbraw/zinc/60/57/25/609605725.db2.gz WFQUBMQJQZRIMF-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN O=C(CC1=CCOCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020551778 675089897 /nfs/dbraw/zinc/08/98/97/675089897.db2.gz IFUAIUXPVPGMGV-WKILWMFISA-N 0 3 345.399 2.068 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000933056644 676422615 /nfs/dbraw/zinc/42/26/15/676422615.db2.gz UBHVYTHXLUOBKR-OAHLLOKOSA-N 0 3 336.388 2.109 20 5 EEBDHN COc1c(O)ccc(CNC[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000892509657 681316484 /nfs/dbraw/zinc/31/64/84/681316484.db2.gz KCYUUADQPWGEPE-CYBMUJFWSA-N 0 3 330.340 2.402 20 5 EEBDHN C[C@@]1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN2CCC1CC2 ZINC000892780268 683035231 /nfs/dbraw/zinc/03/52/31/683035231.db2.gz RGOGSTOECVQAJT-GOSISDBHSA-N 0 3 342.399 2.219 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877347078 1199910265 /nfs/dbraw/zinc/91/02/65/1199910265.db2.gz QGMDOXAOTHHKIV-OAHLLOKOSA-N 0 3 325.368 2.348 20 5 EEBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813106704 1201117379 /nfs/dbraw/zinc/11/73/79/1201117379.db2.gz GQNWXTZVMGGWNU-SECBINFHSA-N 0 3 338.751 2.305 20 5 EEBDHN COc1cccc([C@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CCN2)c1 ZINC000879522754 1201119972 /nfs/dbraw/zinc/11/99/72/1201119972.db2.gz LVXDBNFJPFQMCM-CQSZACIVSA-N 0 3 332.360 2.046 20 5 EEBDHN CC(COC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N+](=O)[O-] ZINC000813110570 1201122012 /nfs/dbraw/zinc/12/20/12/1201122012.db2.gz DOXCZFLPEVTFRO-QMMMGPOBSA-N 0 3 344.249 2.108 20 5 EEBDHN Cc1ccccc1-n1nc(C(=O)OCC(C)[N+](=O)[O-])c2c1CCC2 ZINC000813112260 1201123426 /nfs/dbraw/zinc/12/34/26/1201123426.db2.gz OTFHHCIJIGTBQD-GFCCVEGCSA-N 0 3 329.356 2.491 20 5 EEBDHN CC(COC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)[N+](=O)[O-] ZINC000813113207 1201123641 /nfs/dbraw/zinc/12/36/41/1201123641.db2.gz CAMHVJLZRHYZPO-SECBINFHSA-N 0 3 328.321 2.126 20 5 EEBDHN CC(COC(=O)c1ccc(-n2cnc3ccccc32)nc1)[N+](=O)[O-] ZINC000813114575 1201124698 /nfs/dbraw/zinc/12/46/98/1201124698.db2.gz DACZAQAOOYIRDX-NSHDSACASA-N 0 3 326.312 2.243 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095562797 1205875681 /nfs/dbraw/zinc/87/56/81/1205875681.db2.gz DANONKXGKBAGET-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN COc1ccc(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000930768498 1206581497 /nfs/dbraw/zinc/58/14/97/1206581497.db2.gz HXIYEWMQVPDHAG-GXFFZTMASA-N 0 3 334.376 2.208 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001101810976 1246207060 /nfs/dbraw/zinc/20/70/60/1246207060.db2.gz FKTKWYACXJTKDX-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC001135212032 1278248588 /nfs/dbraw/zinc/24/85/88/1278248588.db2.gz IBGMHCJDVNVEJK-UHFFFAOYSA-N 0 3 341.367 2.145 20 5 EEBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC1CCN(C2CC2)CC1 ZINC001227541873 1301875078 /nfs/dbraw/zinc/87/50/78/1301875078.db2.gz QBDHSBSLUSCSKN-UHFFFAOYSA-N 0 3 326.374 2.449 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001230112827 1303067012 /nfs/dbraw/zinc/06/70/12/1303067012.db2.gz BPGBVERQOJQYSJ-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCOCC2)cc1OC1CCN(C2CC2)CC1 ZINC001234361051 1304899394 /nfs/dbraw/zinc/89/93/94/1304899394.db2.gz WQNVESYPRDJQDJ-UHFFFAOYSA-N 0 3 347.415 2.437 20 5 EEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264809 1310249911 /nfs/dbraw/zinc/24/99/11/1310249911.db2.gz WWWRSYFUPFURJS-SDDRHHMPSA-N 0 3 332.404 2.380 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103884 1315476598 /nfs/dbraw/zinc/47/65/98/1315476598.db2.gz RUNIYILDEGOWHX-KCJUWKMLSA-N 0 3 342.783 2.483 20 5 EEBDHN COc1cncc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249341834 1317057157 /nfs/dbraw/zinc/05/71/57/1317057157.db2.gz CHWITUHOOICULO-CYBMUJFWSA-N 0 3 341.327 2.291 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155824490 1317749704 /nfs/dbraw/zinc/74/97/04/1317749704.db2.gz SBYBPVHIUKGUER-SMDDNHRTSA-N 0 3 326.784 2.356 20 5 EEBDHN Cc1cncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001156111259 1317880972 /nfs/dbraw/zinc/88/09/72/1317880972.db2.gz HEZQKIQQDXPWLT-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1nc(C)c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001156126010 1317889478 /nfs/dbraw/zinc/88/94/78/1317889478.db2.gz RDDILJFZFWHRCI-UHFFFAOYSA-N 0 3 332.360 2.109 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(OC2COC2)n1 ZINC001254544566 1318117498 /nfs/dbraw/zinc/11/74/98/1318117498.db2.gz JZRCVNYVUVPBRJ-ZDUSSCGKSA-N 0 3 343.383 2.488 20 5 EEBDHN CCOC(=O)c1ccnc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585393 1318133256 /nfs/dbraw/zinc/13/32/56/1318133256.db2.gz WLMVCYLTXURWKH-OAHLLOKOSA-N 0 3 341.367 2.424 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3cnccn3)CC1)C2 ZINC001254606442 1318142049 /nfs/dbraw/zinc/14/20/49/1318142049.db2.gz GILMIECXDHODCQ-MRXNPFEDSA-N 0 3 340.383 2.395 20 5 EEBDHN Nc1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2ccccn2)CC1 ZINC001161245542 1320432424 /nfs/dbraw/zinc/43/24/24/1320432424.db2.gz DCUWXQFGFNXGGQ-UHFFFAOYSA-N 0 3 342.403 2.291 20 5 EEBDHN CC/C(C)=C/C(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001164447700 1321381198 /nfs/dbraw/zinc/38/11/98/1321381198.db2.gz MWFXVTYAQVNIRZ-UKTHLTGXSA-N 0 3 349.435 2.061 20 5 EEBDHN C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CN(C)CCN1C ZINC001262705884 1322354078 /nfs/dbraw/zinc/35/40/78/1322354078.db2.gz WFJFWWHORVWXNN-WBMJQRKESA-N 0 3 329.404 2.189 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001321720625 1333148490 /nfs/dbraw/zinc/14/84/90/1333148490.db2.gz NIXZDFDMNWPJPO-KBPBESRZSA-N 0 3 341.433 2.054 20 5 EEBDHN CC[NH+]1CCC(CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609228024 1351902721 /nfs/dbraw/zinc/90/27/21/1351902721.db2.gz XOYUGFGPFFNRQR-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC[NH+]1CCC(CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609228024 1351902724 /nfs/dbraw/zinc/90/27/24/1351902724.db2.gz XOYUGFGPFFNRQR-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC001343646182 1337343029 /nfs/dbraw/zinc/34/30/29/1337343029.db2.gz BYSHAHDPQVPMMT-IUODEOHRSA-N 0 3 334.372 2.266 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589715383 1349023962 /nfs/dbraw/zinc/02/39/62/1349023962.db2.gz UAOJCNDWIAHDFQ-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H](CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831444 1349052074 /nfs/dbraw/zinc/05/20/74/1349052074.db2.gz YQOFVUZGAVVDAI-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H](CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831444 1349052080 /nfs/dbraw/zinc/05/20/80/1349052080.db2.gz YQOFVUZGAVVDAI-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)CN(C)C1CCC1 ZINC001106979793 782761807 /nfs/dbraw/zinc/76/18/07/782761807.db2.gz XZOIMRCOIJVQLG-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCCSC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563268 770779382 /nfs/dbraw/zinc/77/93/82/770779382.db2.gz MJSNKSIVRJAGGL-GFCCVEGCSA-N 0 3 346.474 2.490 20 5 EEBDHN CCn1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845881607 789973804 /nfs/dbraw/zinc/97/38/04/789973804.db2.gz LRUKSYKYHYZJQA-YGRLFVJLSA-N 0 3 336.323 2.309 20 5 EEBDHN COc1ccsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148626585 792611820 /nfs/dbraw/zinc/61/18/20/792611820.db2.gz UOERKFDIQIKXSV-UHFFFAOYSA-N 0 3 335.385 2.185 20 5 EEBDHN COCCOc1nccc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224093 797307891 /nfs/dbraw/zinc/30/78/91/797307891.db2.gz LSYIVNFKVQJCMJ-CYBMUJFWSA-N 0 3 346.387 2.131 20 5 EEBDHN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC001106874173 797633935 /nfs/dbraw/zinc/63/39/35/797633935.db2.gz ULPCWMDFPMKMRU-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788474174 807542138 /nfs/dbraw/zinc/54/21/38/807542138.db2.gz MISOUMVHGVBJFQ-INIZCTEOSA-N 0 3 330.388 2.306 20 5 EEBDHN COc1ccc(C[C@@H](C)NCc2ccc(OC)nn2)c([N+](=O)[O-])c1 ZINC001170304298 809873766 /nfs/dbraw/zinc/87/37/66/809873766.db2.gz BDIBZSZTVSHWEC-LLVKDONJSA-N 0 3 332.360 2.123 20 5 EEBDHN CN1CCC(NC(=S)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000793310197 810247186 /nfs/dbraw/zinc/24/71/86/810247186.db2.gz VHEIWPRLJOKEFP-UHFFFAOYSA-N 0 3 336.461 2.388 20 5 EEBDHN C[C@H](c1nnc(N2CCN(C3CCCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001527142573 1120689678 /nfs/dbraw/zinc/68/96/78/1120689678.db2.gz QHBDDWGNNDWQKO-CYBMUJFWSA-N 0 3 348.451 2.090 20 5 EEBDHN O=C(NC1CC1)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089552 216006207 /nfs/dbraw/zinc/00/62/07/216006207.db2.gz QWWWKHMGRIPHSH-OAHLLOKOSA-N 0 3 344.415 2.162 20 5 EEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)n1 ZINC000422797052 240231179 /nfs/dbraw/zinc/23/11/79/240231179.db2.gz LCYWFWRLSRKOOU-CQSZACIVSA-N 0 3 345.403 2.364 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000074764199 203292958 /nfs/dbraw/zinc/29/29/58/203292958.db2.gz CXIWCBQHCIIRAO-HNNXBMFYSA-N 0 3 332.404 2.017 20 5 EEBDHN CCc1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000075624496 203321507 /nfs/dbraw/zinc/32/15/07/203321507.db2.gz VNSDAGKZNXGEKZ-SFHVURJKSA-N 0 3 344.415 2.379 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394072 203615272 /nfs/dbraw/zinc/61/52/72/203615272.db2.gz YVFKOXLQEQNKML-OCCSQVGLSA-N 0 3 345.403 2.307 20 5 EEBDHN COC(=O)[C@H]1CC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265020851 247140075 /nfs/dbraw/zinc/14/00/75/247140075.db2.gz HBQMUCUPPIMUFI-CYBMUJFWSA-N 0 3 334.372 2.249 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266429997 248297191 /nfs/dbraw/zinc/29/71/91/248297191.db2.gz UETHXPAUZCIOLX-ZDUSSCGKSA-N 0 3 348.403 2.329 20 5 EEBDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000177669181 207371453 /nfs/dbraw/zinc/37/14/53/207371453.db2.gz RTJCPZFWHWGUPD-MEBBXXQBSA-N 0 3 329.312 2.465 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)c2ccncc21 ZINC000267088854 256025824 /nfs/dbraw/zinc/02/58/24/256025824.db2.gz UDZZWXFDIBWCPS-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387281 159011194 /nfs/dbraw/zinc/01/11/94/159011194.db2.gz XXMKVACTYBPURW-OAHLLOKOSA-N 0 3 347.415 2.212 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087057037 159171373 /nfs/dbraw/zinc/17/13/73/159171373.db2.gz ZDWPNYWLMJQWKL-CQSZACIVSA-N 0 3 346.431 2.394 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000103120524 159272975 /nfs/dbraw/zinc/27/29/75/159272975.db2.gz WUWIXKZHKGQGTO-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN C[C@@H]1CN(C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343787276 161168113 /nfs/dbraw/zinc/16/81/13/161168113.db2.gz LBRHFKQWANWUKE-CYBMUJFWSA-N 0 3 330.388 2.428 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000344136741 161201378 /nfs/dbraw/zinc/20/13/78/161201378.db2.gz UUTCSBXIKSTBCN-UHFFFAOYSA-N 0 3 334.464 2.444 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344705574 161237612 /nfs/dbraw/zinc/23/76/12/161237612.db2.gz KWDLIVVFQJBQKB-HNNXBMFYSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354371325 162845618 /nfs/dbraw/zinc/84/56/18/162845618.db2.gz HAVSOWRUJPSKAW-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN CCOc1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000356798601 163546562 /nfs/dbraw/zinc/54/65/62/163546562.db2.gz WHAKIOGOUGXRON-HIFRSBDPSA-N 0 3 325.434 2.475 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000374926197 167069965 /nfs/dbraw/zinc/06/99/65/167069965.db2.gz DUMQGDFEUDUNJV-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000375961399 167235534 /nfs/dbraw/zinc/23/55/34/167235534.db2.gz BPUVCFMZHDJHKU-INIZCTEOSA-N 0 3 341.367 2.220 20 5 EEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000376177043 167276757 /nfs/dbraw/zinc/27/67/57/167276757.db2.gz ZOGKQFYHCQFVGW-INIZCTEOSA-N 0 3 346.431 2.014 20 5 EEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520814 167342214 /nfs/dbraw/zinc/34/22/14/167342214.db2.gz XINYDKVKIDVESZ-YPMHNXCESA-N 0 3 347.371 2.022 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000275599414 269128695 /nfs/dbraw/zinc/12/86/95/269128695.db2.gz GNPKYGWZMDLTAW-OAHLLOKOSA-N 0 3 338.433 2.462 20 5 EEBDHN C[NH+](C)CC1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281132476 269406855 /nfs/dbraw/zinc/40/68/55/269406855.db2.gz UHXLOVNXMSITDC-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN[C@@]2(CO)CCOc3ccccc32)cc1 ZINC000281694533 269440226 /nfs/dbraw/zinc/44/02/26/269440226.db2.gz NGSQFCLTCUUXFI-GOSISDBHSA-N 0 3 328.368 2.397 20 5 EEBDHN COc1cc(CN[C@@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])cc1F ZINC000421035909 274094419 /nfs/dbraw/zinc/09/44/19/274094419.db2.gz PPMBREREKZRTIG-NSHDSACASA-N 0 3 342.367 2.416 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272507405 274173950 /nfs/dbraw/zinc/17/39/50/274173950.db2.gz OLEJYZQBOXNFOU-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN NC(=O)c1cc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343494 274190179 /nfs/dbraw/zinc/19/01/79/274190179.db2.gz IWJIBZOHDSUMTN-FZMZJTMJSA-N 0 3 344.371 2.183 20 5 EEBDHN COc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285709356 274779088 /nfs/dbraw/zinc/77/90/88/274779088.db2.gz HWCBGFAVEPYLEB-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000290282498 275194757 /nfs/dbraw/zinc/19/47/57/275194757.db2.gz VQSJSHSIRDMWDF-CYBMUJFWSA-N 0 3 343.449 2.135 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000365601883 280365367 /nfs/dbraw/zinc/36/53/67/280365367.db2.gz QZOSVXNRDFGWNJ-NVXWUHKLSA-N 0 3 337.395 2.467 20 5 EEBDHN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293037578 293108774 /nfs/dbraw/zinc/10/87/74/293108774.db2.gz LTFUMZTZXPEWPK-KRWDZBQOSA-N 0 3 349.431 2.334 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215195 293397620 /nfs/dbraw/zinc/39/76/20/293397620.db2.gz QTKSRSVHDAHOQG-GOSISDBHSA-N 0 3 347.415 2.308 20 5 EEBDHN CCO[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247634 293924568 /nfs/dbraw/zinc/92/45/68/293924568.db2.gz NRQHPHCRBNPLAP-CABCVRRESA-N 0 3 333.388 2.131 20 5 EEBDHN CCN1CCN([C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301883927 294906937 /nfs/dbraw/zinc/90/69/37/294906937.db2.gz NPEXWSKWOZPSMU-GFCCVEGCSA-N 0 3 340.399 2.180 20 5 EEBDHN C[C@H](N[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190627 311826172 /nfs/dbraw/zinc/82/61/72/311826172.db2.gz PPKYEIFLUDSGKE-TUKIKUTGSA-N 0 3 341.433 2.106 20 5 EEBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686259 312045409 /nfs/dbraw/zinc/04/54/09/312045409.db2.gz VOCHQIXXOTWESR-WDEREUQCSA-N 0 3 339.342 2.111 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c2cccnc21 ZINC000413177771 312812194 /nfs/dbraw/zinc/81/21/94/312812194.db2.gz MHMWLMKYTUAUPF-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN CS(=O)(=O)CC1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414553166 313039810 /nfs/dbraw/zinc/03/98/10/313039810.db2.gz ICRSAZJVODSWIB-DAXSKMNVSA-N 0 3 338.429 2.413 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621260 315088817 /nfs/dbraw/zinc/08/88/17/315088817.db2.gz CAPPDZGSJCTVFI-QLFBSQMISA-N 0 3 333.388 2.103 20 5 EEBDHN CS(=O)(=O)c1cccc(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000449211326 315432859 /nfs/dbraw/zinc/43/28/59/315432859.db2.gz SYFMZEMHLQLZLZ-UHFFFAOYSA-N 0 3 334.397 2.331 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542523464 318131383 /nfs/dbraw/zinc/13/13/83/318131383.db2.gz WPEWUXBCFHPYLX-LLVKDONJSA-N 0 3 349.387 2.126 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194378 318206545 /nfs/dbraw/zinc/20/65/45/318206545.db2.gz USEGHKHIGNGBAY-CZUORRHYSA-N 0 3 342.399 2.184 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000580930655 324152973 /nfs/dbraw/zinc/15/29/73/324152973.db2.gz WOWJDVJXRBGVQN-HZSPNIEDSA-N 0 3 332.404 2.090 20 5 EEBDHN CC1=CC[N@H+](CC[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000358325916 465060035 /nfs/dbraw/zinc/06/00/35/465060035.db2.gz BYJPKNIXTCMSIO-UHFFFAOYSA-N 0 3 329.360 2.709 20 5 EEBDHN CC1=CC[N@@H+](CC[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000358325916 465060043 /nfs/dbraw/zinc/06/00/43/465060043.db2.gz BYJPKNIXTCMSIO-UHFFFAOYSA-N 0 3 329.360 2.709 20 5 EEBDHN CO[C@]1(C)C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419844 465187942 /nfs/dbraw/zinc/18/79/42/465187942.db2.gz VMVCSKRGLDXCPR-CRAIPNDOSA-N 0 3 347.415 2.277 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000351512404 465194415 /nfs/dbraw/zinc/19/44/15/465194415.db2.gz NNDMDWRTFCNBEL-UHFFFAOYSA-N 0 3 336.392 2.169 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354955961 465216041 /nfs/dbraw/zinc/21/60/41/465216041.db2.gz YDJQZQQRRRKUBP-LLVKDONJSA-N 0 3 344.371 2.015 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000590632610 468292242 /nfs/dbraw/zinc/29/22/42/468292242.db2.gz PUNXLLCKHPCCBY-HNNXBMFYSA-N 0 3 345.399 2.158 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000153515861 462660009 /nfs/dbraw/zinc/66/00/09/462660009.db2.gz SNKJBEWEIKMTQP-MRXNPFEDSA-N 0 3 346.383 2.475 20 5 EEBDHN CN1CCN(CCCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153579353 462666888 /nfs/dbraw/zinc/66/68/88/462666888.db2.gz KJTVKEONHUOZMN-UHFFFAOYSA-N 0 3 327.816 2.083 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394069 462787900 /nfs/dbraw/zinc/78/79/00/462787900.db2.gz YVFKOXLQEQNKML-TZMCWYRMSA-N 0 3 345.403 2.307 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000090552106 462797815 /nfs/dbraw/zinc/79/78/15/462797815.db2.gz FAOVLSVTXUQIBO-AWEZNQCLSA-N 0 3 331.347 2.385 20 5 EEBDHN Cc1nn(C)c(NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000051900350 463053683 /nfs/dbraw/zinc/05/36/83/463053683.db2.gz JYGYNGJDMZMHBV-UHFFFAOYSA-N 0 3 329.404 2.497 20 5 EEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000080676827 463346272 /nfs/dbraw/zinc/34/62/72/463346272.db2.gz PDYBHRGFEBNFEG-NSHDSACASA-N 0 3 336.783 2.335 20 5 EEBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000032398798 463374944 /nfs/dbraw/zinc/37/49/44/463374944.db2.gz SSUMJCLXRZQWTM-UHFFFAOYSA-N 0 3 329.356 2.366 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000568588342 468358330 /nfs/dbraw/zinc/35/83/30/468358330.db2.gz HBOKRHOVJBEIMI-UHFFFAOYSA-N 0 3 349.435 2.104 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000072637081 463528571 /nfs/dbraw/zinc/52/85/71/463528571.db2.gz ZWJADRJWEGKQBB-HZPDHXFCSA-N 0 3 332.448 2.368 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164147257 463615089 /nfs/dbraw/zinc/61/50/89/463615089.db2.gz NMPHWZDWPWLMPN-CJNGLKHVSA-N 0 3 346.431 2.217 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CCCC2)C1 ZINC000127055876 463679445 /nfs/dbraw/zinc/67/94/45/463679445.db2.gz HNKTTZFHZYICNY-OAHLLOKOSA-N 0 3 342.399 2.315 20 5 EEBDHN CCN(CC)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112072279 463689996 /nfs/dbraw/zinc/68/99/96/463689996.db2.gz ULZCWJJWJXZQQU-UHFFFAOYSA-N 0 3 345.403 2.313 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000170712194 463698589 /nfs/dbraw/zinc/69/85/89/463698589.db2.gz HNIKWDRUFFWLPO-CJNGLKHVSA-N 0 3 332.404 2.092 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC(C)CC1 ZINC000282979803 463721716 /nfs/dbraw/zinc/72/17/16/463721716.db2.gz JDGCDJOTLWFMQM-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000287772166 463995109 /nfs/dbraw/zinc/99/51/09/463995109.db2.gz IAGWAHGMIXCDOB-MNOVXSKESA-N 0 3 334.376 2.122 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOC[C@H]1C ZINC000591019870 468393775 /nfs/dbraw/zinc/39/37/75/468393775.db2.gz KTOXMEXIFVCZHQ-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN COc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263715127 464164368 /nfs/dbraw/zinc/16/43/68/464164368.db2.gz VQMMADXNKJCFMO-UPJWGTAASA-N 0 3 335.404 2.481 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042636 464167967 /nfs/dbraw/zinc/16/79/67/464167967.db2.gz SIUOQBSNLTWIEB-YXAMBPQSSA-N 0 3 345.399 2.469 20 5 EEBDHN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292278305 464183208 /nfs/dbraw/zinc/18/32/08/464183208.db2.gz MAUSNMYINJPTEH-LBPRGKRZSA-N 0 3 332.404 2.004 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000173470711 464267038 /nfs/dbraw/zinc/26/70/38/464267038.db2.gz ACIKNCVFPJXTEW-RDJZCZTQSA-N 0 3 342.399 2.080 20 5 EEBDHN CN(C)CC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000281063717 464318695 /nfs/dbraw/zinc/31/86/95/464318695.db2.gz LTWLXOKLXVYEJE-UHFFFAOYSA-N 0 3 330.388 2.150 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)CNC2 ZINC000188732979 464354737 /nfs/dbraw/zinc/35/47/37/464354737.db2.gz FJRQJSAHZPLXEF-UHFFFAOYSA-N 0 3 340.383 2.316 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264663707 464414404 /nfs/dbraw/zinc/41/44/04/464414404.db2.gz ZCSRHHRXNYOGPE-HNNXBMFYSA-N 0 3 346.431 2.484 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386594 464435920 /nfs/dbraw/zinc/43/59/20/464435920.db2.gz MYRIBOOSUOLBLQ-QWHCGFSZSA-N 0 3 333.388 2.023 20 5 EEBDHN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295433687 464831667 /nfs/dbraw/zinc/83/16/67/464831667.db2.gz VAYNNCYPFTYXSO-CQSZACIVSA-N 0 3 346.431 2.340 20 5 EEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000249596083 464897314 /nfs/dbraw/zinc/89/73/14/464897314.db2.gz WXACAORZSFWIKQ-IUODEOHRSA-N 0 3 331.372 2.495 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN1C1CC1 ZINC000268037390 464948506 /nfs/dbraw/zinc/94/85/06/464948506.db2.gz WYOYJUWGLZOYAC-JQWIXIFHSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238807 464987116 /nfs/dbraw/zinc/98/71/16/464987116.db2.gz OKPOBBSVYUZVHD-IINYFYTJSA-N 0 3 328.372 2.289 20 5 EEBDHN CC(C)N1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000347930990 465316679 /nfs/dbraw/zinc/31/66/79/465316679.db2.gz KSEKHZPJARENHO-CQSZACIVSA-N 0 3 334.420 2.386 20 5 EEBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298858865 465526083 /nfs/dbraw/zinc/52/60/83/465526083.db2.gz PPFCLWRFUKJWGI-UHFFFAOYSA-N 0 3 328.372 2.317 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344640609 465742844 /nfs/dbraw/zinc/74/28/44/465742844.db2.gz ISLJUODNYPLQIQ-HNNXBMFYSA-N 0 3 335.404 2.454 20 5 EEBDHN CCN1CCC(N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357289532 465916350 /nfs/dbraw/zinc/91/63/50/465916350.db2.gz BSXCREWEFWYGLE-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN CN(C[C@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118024 465979880 /nfs/dbraw/zinc/97/98/80/465979880.db2.gz AYQSMNDCVAMPGY-CZUORRHYSA-N 0 3 343.387 2.083 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000363123918 466233505 /nfs/dbraw/zinc/23/35/05/466233505.db2.gz LDCHEKRUQKQWCY-CQSZACIVSA-N 0 3 333.388 2.060 20 5 EEBDHN CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CCSCC1 ZINC000338592492 466243736 /nfs/dbraw/zinc/24/37/36/466243736.db2.gz GFNZTWMHVHTWKD-UHFFFAOYSA-N 0 3 337.445 2.429 20 5 EEBDHN C[C@H]1CN2CCCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054211 466365171 /nfs/dbraw/zinc/36/51/71/466365171.db2.gz VDWQUEVSBLSTPE-WMLDXEAASA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332072178 466371811 /nfs/dbraw/zinc/37/18/11/466371811.db2.gz VFNVHOXIKJDFOH-LLVKDONJSA-N 0 3 345.403 2.273 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332336409 466513763 /nfs/dbraw/zinc/51/37/63/466513763.db2.gz MEQGTUUUIVHLBS-GHMZBOCLSA-N 0 3 344.371 2.061 20 5 EEBDHN O=C(CN1CCNC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000313333825 466539711 /nfs/dbraw/zinc/53/97/11/466539711.db2.gz AMYSOYDQOBZHNA-QGZVFWFLSA-N 0 3 340.383 2.180 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000368531931 466661311 /nfs/dbraw/zinc/66/13/11/466661311.db2.gz ANGNBERZNRYXRH-DOTOQJQBSA-N 0 3 342.399 2.178 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192133 466740588 /nfs/dbraw/zinc/74/05/88/466740588.db2.gz VIJOSQPDDXFBDB-DRZCJDIDSA-N 0 3 349.387 2.088 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2Cc3ccccc3C3(CCC3)C2)c1 ZINC000375687621 466862101 /nfs/dbraw/zinc/86/21/01/466862101.db2.gz GIKZFCLEPCIPNU-MRXNPFEDSA-N 0 3 342.399 2.090 20 5 EEBDHN CCOc1cc(CNC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000411997198 466963501 /nfs/dbraw/zinc/96/35/01/466963501.db2.gz GUJOIWVLCIMXIX-UHFFFAOYSA-N 0 3 337.420 2.194 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000427930521 467186701 /nfs/dbraw/zinc/18/67/01/467186701.db2.gz JUKXRHVXYXFKEV-LBPRGKRZSA-N 0 3 329.422 2.007 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000420436083 467407867 /nfs/dbraw/zinc/40/78/67/467407867.db2.gz AKNFKBMCBCMIEE-SNVBAGLBSA-N 0 3 347.824 2.059 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CNCc2ccccc21 ZINC000392685660 467428341 /nfs/dbraw/zinc/42/83/41/467428341.db2.gz QIRXSGXNUJRVRD-MRXNPFEDSA-N 0 3 325.368 2.440 20 5 EEBDHN COc1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449503505 467653327 /nfs/dbraw/zinc/65/33/27/467653327.db2.gz IEKOEFSHRKFBTF-GUYCJALGSA-N 0 3 336.388 2.196 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000458645790 467873223 /nfs/dbraw/zinc/87/32/23/467873223.db2.gz XYQAICFAHQUZAD-UHFFFAOYSA-N 0 3 342.827 2.430 20 5 EEBDHN C[C@H](C(=O)NCCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642131 467944980 /nfs/dbraw/zinc/94/49/80/467944980.db2.gz MPEKJWJCYIYEGM-CABCVRRESA-N 0 3 349.431 2.315 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493945232 468008735 /nfs/dbraw/zinc/00/87/35/468008735.db2.gz PEGSFVNTUHNFGJ-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C1CCCC1 ZINC000533505099 468207550 /nfs/dbraw/zinc/20/75/50/468207550.db2.gz LXHGTPYNCWFVGW-QGZVFWFLSA-N 0 3 347.415 2.497 20 5 EEBDHN CN(CC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594194937 468507904 /nfs/dbraw/zinc/50/79/04/468507904.db2.gz BGCMRASWHURTNS-LSDHHAIUSA-N 0 3 346.431 2.164 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570676447 468675656 /nfs/dbraw/zinc/67/56/56/468675656.db2.gz PWNXXEBDHSSXAL-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN N[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000571038763 468730318 /nfs/dbraw/zinc/73/03/18/468730318.db2.gz IFRDMNHILOTYSB-OAHLLOKOSA-N 0 3 342.399 2.083 20 5 EEBDHN CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832197 468798654 /nfs/dbraw/zinc/79/86/54/468798654.db2.gz SVISPKCUWJXCLP-CQSZACIVSA-N 0 3 335.404 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598266465 468811734 /nfs/dbraw/zinc/81/17/34/468811734.db2.gz YCPUHQMSYAAKSW-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595484359 468872382 /nfs/dbraw/zinc/87/23/82/468872382.db2.gz ZOEMHMJLBGVPHY-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593133242 468881628 /nfs/dbraw/zinc/88/16/28/468881628.db2.gz SNLHXKQILUVGAL-HTQZYQBOSA-N 0 3 336.270 2.014 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000598602709 468929262 /nfs/dbraw/zinc/92/92/62/468929262.db2.gz AQHGHVPJJGDKNV-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CCN1C[C@@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593498604 469005554 /nfs/dbraw/zinc/00/55/54/469005554.db2.gz FPTUPTILMQNFEK-GFCCVEGCSA-N 0 3 328.372 2.154 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791919 469012484 /nfs/dbraw/zinc/01/24/84/469012484.db2.gz YCZQMWSRFJDYJQ-WBVHZDCISA-N 0 3 347.415 2.475 20 5 EEBDHN COC[C@@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610615778 469018036 /nfs/dbraw/zinc/01/80/36/469018036.db2.gz UMJQASLZZHXDJR-ZDUSSCGKSA-N 0 3 335.360 2.004 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915155 469048113 /nfs/dbraw/zinc/04/81/13/469048113.db2.gz IXGNUWSHAYYTMD-QPUJVOFHSA-N 0 3 342.783 2.483 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@]2(O)CCCOC2)c1 ZINC000593691012 469097228 /nfs/dbraw/zinc/09/72/28/469097228.db2.gz IBLJJKBLTQDQKP-HNNXBMFYSA-N 0 3 346.330 2.217 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cn[nH]c2C1 ZINC000611009099 469138176 /nfs/dbraw/zinc/13/81/76/469138176.db2.gz SQCISWQEONDJNV-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN CCN1CCN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000596073538 469141425 /nfs/dbraw/zinc/14/14/25/469141425.db2.gz MLNUAMLKQGNDNX-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN Cc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)N2CCCC2)o1 ZINC000596110525 469158986 /nfs/dbraw/zinc/15/89/86/469158986.db2.gz SBMRGTYTZQQDFF-ZDUSSCGKSA-N 0 3 331.376 2.722 20 5 EEBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611209025 469192744 /nfs/dbraw/zinc/19/27/44/469192744.db2.gz CCEPBGLOQRCAQM-UHFFFAOYSA-N 0 3 344.371 2.459 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](N3CCCCC3)C1)OCCO2 ZINC000611268565 469214434 /nfs/dbraw/zinc/21/44/34/469214434.db2.gz PLIRVLIIKDYKSC-HNNXBMFYSA-N 0 3 347.415 2.426 20 5 EEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603083362 469255443 /nfs/dbraw/zinc/25/54/43/469255443.db2.gz LIZOMYFMMFFFQF-UHFFFAOYSA-N 0 3 344.346 2.481 20 5 EEBDHN Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1CN(C)C ZINC000574822445 469280807 /nfs/dbraw/zinc/28/08/07/469280807.db2.gz HKBADZGBHYBHNJ-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN O=[N+]([O-])c1ccc2ncnc(NC3CCN([C@@H]4CCOC4)CC3)c2c1 ZINC000611711812 469307356 /nfs/dbraw/zinc/30/73/56/469307356.db2.gz RHUQQVKODZQWMO-CQSZACIVSA-N 0 3 343.387 2.203 20 5 EEBDHN CCn1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000616786360 469501881 /nfs/dbraw/zinc/50/18/81/469501881.db2.gz VVFPWVQREZRFTP-MRXNPFEDSA-N 0 3 333.388 2.288 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCCS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000414342332 528594719 /nfs/dbraw/zinc/59/47/19/528594719.db2.gz PDQYQOZIIAEJLQ-GFCCVEGCSA-N 0 3 344.433 2.469 20 5 EEBDHN CN1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266284138 536367312 /nfs/dbraw/zinc/36/73/12/536367312.db2.gz BDHJVXBGTJYCHC-MRXNPFEDSA-N 0 3 333.388 2.059 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000727113376 576406712 /nfs/dbraw/zinc/40/67/12/576406712.db2.gz IFUVWGAQZNCSII-OAHLLOKOSA-N 0 3 344.415 2.162 20 5 EEBDHN C[C@H](N[C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803154 577231127 /nfs/dbraw/zinc/23/11/27/577231127.db2.gz OJTNVLMGMFHDIU-TVQRCGJNSA-N 0 3 341.795 2.326 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)CCc2ccccc2)cc1 ZINC000758184492 577617870 /nfs/dbraw/zinc/61/78/70/577617870.db2.gz DLSPKWGKSVDQPY-MSOLQXFVSA-N 0 3 330.384 2.212 20 5 EEBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168233 577821066 /nfs/dbraw/zinc/82/10/66/577821066.db2.gz GCGCFHOHOOQKPY-YMTOWFKASA-N 0 3 327.768 2.344 20 5 EEBDHN CN(C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000746528415 577929509 /nfs/dbraw/zinc/92/95/09/577929509.db2.gz QWSOSHORNBCWFX-UHFFFAOYSA-N 0 3 328.372 2.385 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001022575965 677920020 /nfs/dbraw/zinc/92/00/20/677920020.db2.gz AFIYUIGMHQOXQD-RRACKEQVSA-N 0 3 329.400 2.378 20 5 EEBDHN C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCN1C ZINC000895245027 684368808 /nfs/dbraw/zinc/36/88/08/684368808.db2.gz CKDYKRYVCHNNFP-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN CC1(C)COCCN1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893343930 684791824 /nfs/dbraw/zinc/79/18/24/684791824.db2.gz RNRICTNZPZDOCK-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN CCOC(=O)Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000825785923 1199228179 /nfs/dbraw/zinc/22/81/79/1199228179.db2.gz YYXGRZVQVLQCDI-HNNXBMFYSA-N 0 3 345.399 2.151 20 5 EEBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccccc2)n1)[N+](=O)[O-] ZINC000813099955 1201095863 /nfs/dbraw/zinc/09/58/63/1201095863.db2.gz IHCOFOKKFMCYRI-JTQLQIEISA-N 0 3 349.368 2.146 20 5 EEBDHN COc1cc(CN[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779072408 1208491513 /nfs/dbraw/zinc/49/15/13/1208491513.db2.gz KSEMEJKANZRDRY-NSHDSACASA-N 0 3 345.346 2.041 20 5 EEBDHN Nc1ccc2n(C(=O)[C@@H]3C[C@@H](F)CCN3)c3ccccc3cc-2c1=O ZINC001219254393 1297965672 /nfs/dbraw/zinc/96/56/72/1297965672.db2.gz ZJUNEJXTWDBBPF-WFASDCNBSA-N 0 3 339.370 2.419 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233478 1315510859 /nfs/dbraw/zinc/51/08/59/1315510859.db2.gz VMJSPZLNSWXMGS-PSASIEDQSA-N 0 3 342.783 2.483 20 5 EEBDHN O=C(CCc1cccs1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150577487 1316305057 /nfs/dbraw/zinc/30/50/57/1316305057.db2.gz PBLPJEITGTXPJK-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@@]34CNCCO4)cnc2c1 ZINC001155824320 1317749866 /nfs/dbraw/zinc/74/98/66/1317749866.db2.gz OEPHVOBYXVKREU-DOTOQJQBSA-N 0 3 343.387 2.251 20 5 EEBDHN COCCOc1nccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254549811 1318119237 /nfs/dbraw/zinc/11/92/37/1318119237.db2.gz WUPCMJQKEMVVMR-CYBMUJFWSA-N 0 3 346.387 2.131 20 5 EEBDHN COC(=O)c1ccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254586636 1318135028 /nfs/dbraw/zinc/13/50/28/1318135028.db2.gz REZQDICJGSQAEV-HNNXBMFYSA-N 0 3 327.340 2.033 20 5 EEBDHN CN1CCN(C(=N)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001157915989 1318929106 /nfs/dbraw/zinc/92/91/06/1318929106.db2.gz JLHCXLRUGXNSBF-UHFFFAOYSA-N 0 3 340.387 2.251 20 5 EEBDHN Cc1ccc(-c2ccc(N[C@@H](C)[C@@H]3CNCCO3)nn2)cc1[N+](=O)[O-] ZINC001159498360 1319837752 /nfs/dbraw/zinc/83/77/52/1319837752.db2.gz LBUFNZVWZFRDAA-LRDDRELGSA-N 0 3 343.387 2.149 20 5 EEBDHN Cc1nc(-n2nccc2CN)c([N+](=O)[O-])c(C)c1Br ZINC001162598330 1320908517 /nfs/dbraw/zinc/90/85/17/1320908517.db2.gz UENIZFKHQGBQEN-UHFFFAOYSA-N 0 3 326.154 2.014 20 5 EEBDHN O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650602 1321181865 /nfs/dbraw/zinc/18/18/65/1321181865.db2.gz UEDLQSDYGPHLAX-XJKSGUPXSA-N 0 3 331.376 2.184 20 5 EEBDHN COCCCN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165098069 1321454967 /nfs/dbraw/zinc/45/49/67/1321454967.db2.gz STOBBYMYOLGHNV-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN CN1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001325226262 1333850201 /nfs/dbraw/zinc/85/02/01/1333850201.db2.gz CXKFMEPWEBGUBG-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN C[C@H](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001589830194 1349052464 /nfs/dbraw/zinc/05/24/64/1349052464.db2.gz JNAZJYGDARKLHE-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CCCN(CC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590624357 1349379412 /nfs/dbraw/zinc/37/94/12/1349379412.db2.gz ALOFQWDAROCNJK-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591183821 1349445288 /nfs/dbraw/zinc/44/52/88/1349445288.db2.gz ITMXKOPTYFPHFS-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591183821 1349445290 /nfs/dbraw/zinc/44/52/90/1349445290.db2.gz ITMXKOPTYFPHFS-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591183821 1349445295 /nfs/dbraw/zinc/44/52/95/1349445295.db2.gz ITMXKOPTYFPHFS-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591183821 1349445296 /nfs/dbraw/zinc/44/52/96/1349445296.db2.gz ITMXKOPTYFPHFS-AWEZNQCLSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603894773 1350797197 /nfs/dbraw/zinc/79/71/97/1350797197.db2.gz ISNBWWMIRRFLTQ-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603894773 1350797203 /nfs/dbraw/zinc/79/72/03/1350797203.db2.gz ISNBWWMIRRFLTQ-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603894773 1350797206 /nfs/dbraw/zinc/79/72/06/1350797206.db2.gz ISNBWWMIRRFLTQ-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603894773 1350797210 /nfs/dbraw/zinc/79/72/10/1350797210.db2.gz ISNBWWMIRRFLTQ-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092306 1371273099 /nfs/dbraw/zinc/27/30/99/1371273099.db2.gz UGULNNOYZWEEES-SJKOYZFVSA-N 0 3 332.356 2.172 20 5 EEBDHN COc1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000835453659 1372625290 /nfs/dbraw/zinc/62/52/90/1372625290.db2.gz FPJOXQNFFHKSKJ-SSDOTTSWSA-N 0 3 348.149 2.288 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000920445538 770708372 /nfs/dbraw/zinc/70/83/72/770708372.db2.gz JZWGIEVVEYYQAT-JTQLQIEISA-N 0 3 336.348 2.026 20 5 EEBDHN O=C(NCC1CN(C/C=C\c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662750 770736049 /nfs/dbraw/zinc/73/60/49/770736049.db2.gz LAULWWLDQQUBLT-AYYPDYFKSA-N 0 3 349.818 2.066 20 5 EEBDHN C[C@H]1COCCN1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000821280735 786658432 /nfs/dbraw/zinc/65/84/32/786658432.db2.gz ZBYMEZJPWHEZMZ-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107285502 786721339 /nfs/dbraw/zinc/72/13/39/786721339.db2.gz PILXOZVHCAWPSL-ARJAWSKDSA-N 0 3 343.387 2.262 20 5 EEBDHN COc1cccc(F)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127933438 789513376 /nfs/dbraw/zinc/51/33/76/789513376.db2.gz CJPCALXNDGBRPQ-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN Cc1noc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878149 789972423 /nfs/dbraw/zinc/97/24/23/789972423.db2.gz REJXUVFRZNSPHK-PSLIRLAXSA-N 0 3 337.307 2.399 20 5 EEBDHN CC([C@@H](OC(=O)CC1OCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884564 789974907 /nfs/dbraw/zinc/97/49/07/789974907.db2.gz ZPGZYEUGMKIYFU-ZUZCIYMTSA-N 0 3 327.308 2.228 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172912137 791791355 /nfs/dbraw/zinc/79/13/55/791791355.db2.gz LQHDRZNTBWYBFM-HNNXBMFYSA-N 0 3 344.419 2.083 20 5 EEBDHN Cc1cnc(NCCNC(=O)C(C)(C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001093888943 795766913 /nfs/dbraw/zinc/76/69/13/795766913.db2.gz JAVCNHPRKDLZFE-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](CO)c2cccnc2)c1F ZINC001173180525 797278766 /nfs/dbraw/zinc/27/87/66/797278766.db2.gz RGQLKUPKVQOYMC-FZMZJTMJSA-N 0 3 349.362 2.392 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](CO)c2ccncc2)c1F ZINC001173182677 797280562 /nfs/dbraw/zinc/28/05/62/797280562.db2.gz JTMATQOVDHIJCR-FZMZJTMJSA-N 0 3 349.362 2.392 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001095233912 797565971 /nfs/dbraw/zinc/56/59/71/797565971.db2.gz YXGFWCXFKPRWKB-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110194346 798410218 /nfs/dbraw/zinc/41/02/18/798410218.db2.gz DMTIBYPRAPNNIW-UHFFFAOYSA-N 0 3 347.350 2.069 20 5 EEBDHN CC(C)OCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177396584 798919297 /nfs/dbraw/zinc/91/92/97/798919297.db2.gz URYVCCOWBKOCFN-UHFFFAOYSA-N 0 3 337.420 2.396 20 5 EEBDHN CCOCC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177831557 799144780 /nfs/dbraw/zinc/14/47/80/799144780.db2.gz WCWBJLWXZGKYKQ-UHFFFAOYSA-N 0 3 343.449 2.459 20 5 EEBDHN CC(C)(C)OC(=O)NC[C@]1(F)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041019 803583745 /nfs/dbraw/zinc/58/37/45/803583745.db2.gz AJHXVUOQCKJHEE-XJKCOSOUSA-N 0 3 345.415 2.371 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025909 803591145 /nfs/dbraw/zinc/59/11/45/803591145.db2.gz JVHKDBWEUXCHQJ-DLBZAZTESA-N 0 3 333.432 2.128 20 5 EEBDHN COCCN(CCOC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330065 809894506 /nfs/dbraw/zinc/89/45/06/809894506.db2.gz XPVLMJAUQDOBIY-ZDUSSCGKSA-N 0 3 326.393 2.129 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170330099 809894995 /nfs/dbraw/zinc/89/49/95/809894995.db2.gz YPYNVHGEYFLVCL-LBPRGKRZSA-N 0 3 335.404 2.135 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344410 809916015 /nfs/dbraw/zinc/91/60/15/809916015.db2.gz BUZABINFALJLBQ-DZGCQCFKSA-N 0 3 345.403 2.463 20 5 EEBDHN COCc1ccccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130771106 812016448 /nfs/dbraw/zinc/01/64/48/812016448.db2.gz FIDJHQUCMVBAEI-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccnc1C1CC1 ZINC001130825389 812073295 /nfs/dbraw/zinc/07/32/95/812073295.db2.gz JQGILJRBMIKFGP-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN CC(C)(C)c1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001131209340 812537542 /nfs/dbraw/zinc/53/75/42/812537542.db2.gz QGABABITQVZGDV-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN C[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170562674 812886626 /nfs/dbraw/zinc/88/66/26/812886626.db2.gz JFEJNOGOUWLPNX-MLGOLLRUSA-N 0 3 328.372 2.446 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001517388990 1119032782 /nfs/dbraw/zinc/03/27/82/1119032782.db2.gz CFENIANFRDCTPB-IHRRRGAJSA-N 0 3 338.456 2.191 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513610 283376925 /nfs/dbraw/zinc/37/69/25/283376925.db2.gz XPLTWUUCGFKABZ-CABCVRRESA-N 0 3 343.387 2.164 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500163 243135967 /nfs/dbraw/zinc/13/59/67/243135967.db2.gz MVZORSDXGGMEEX-HFBAOOFYSA-N 0 3 335.404 2.491 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC ZINC000451627306 243182386 /nfs/dbraw/zinc/18/23/86/243182386.db2.gz BZGSXKQKPDCHFZ-MPKXVKKWSA-N 0 3 337.376 2.088 20 5 EEBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130782048 205256927 /nfs/dbraw/zinc/25/69/27/205256927.db2.gz NXLZMBAGDPAZPE-CYBMUJFWSA-N 0 3 345.403 2.449 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533249 246063485 /nfs/dbraw/zinc/06/34/85/246063485.db2.gz OMNCNUFLFXHCKG-CGQZWFTASA-N 0 3 347.415 2.177 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCN1C ZINC000491986778 246245663 /nfs/dbraw/zinc/24/56/63/246245663.db2.gz NGUWITJSPGOWBD-NEPJUHHUSA-N 0 3 334.376 2.446 20 5 EEBDHN CCS[C@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159816088 206265655 /nfs/dbraw/zinc/26/56/55/206265655.db2.gz KQYZGMACFVSIHK-AWEZNQCLSA-N 0 3 325.434 2.364 20 5 EEBDHN CC(COC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[N+](=O)[O-] ZINC000496001245 247262701 /nfs/dbraw/zinc/26/27/01/247262701.db2.gz FXUBTSKAOHRQQV-SECBINFHSA-N 0 3 325.321 2.251 20 5 EEBDHN CC1CCN(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160217285 206285222 /nfs/dbraw/zinc/28/52/22/206285222.db2.gz AEVAEKZFCHDOON-UHFFFAOYSA-N 0 3 334.420 2.168 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266983230 248536346 /nfs/dbraw/zinc/53/63/46/248536346.db2.gz GQILSGBXNUEBMF-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](COCc3ccccc3)C2)n1 ZINC000176269770 207209579 /nfs/dbraw/zinc/20/95/79/207209579.db2.gz AVVCHOVJBBIXDA-INIZCTEOSA-N 0 3 330.388 2.330 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261569 256042980 /nfs/dbraw/zinc/04/29/80/256042980.db2.gz WVFGZLJHRANNGB-OCCSQVGLSA-N 0 3 342.403 2.290 20 5 EEBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267953285 256099697 /nfs/dbraw/zinc/09/96/97/256099697.db2.gz XBSIBGYYSORRGW-UHFFFAOYSA-N 0 3 337.376 2.245 20 5 EEBDHN COCCN1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000267968912 256100624 /nfs/dbraw/zinc/10/06/24/256100624.db2.gz MHQNXAKGZPQAST-ZDUSSCGKSA-N 0 3 336.392 2.054 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN1C1CC1 ZINC000267991574 256103391 /nfs/dbraw/zinc/10/33/91/256103391.db2.gz QDSILANTCNOITP-WDEREUQCSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159192 256120635 /nfs/dbraw/zinc/12/06/35/256120635.db2.gz HTJOETVBCLAZPW-ABAIWWIYSA-N 0 3 335.429 2.286 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1cnccn1 ZINC000271297904 256230448 /nfs/dbraw/zinc/23/04/48/256230448.db2.gz DNOYKDYHQVYKET-UHFFFAOYSA-N 0 3 343.387 2.196 20 5 EEBDHN CC(C)N(C)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272868184 256245244 /nfs/dbraw/zinc/24/52/44/256245244.db2.gz RZWYVSQNLWMYHO-UHFFFAOYSA-N 0 3 335.451 2.202 20 5 EEBDHN CCOC(=O)CCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665238 292168000 /nfs/dbraw/zinc/16/80/00/292168000.db2.gz GATNLZRRIXAJHL-ZDUSSCGKSA-N 0 3 336.392 2.209 20 5 EEBDHN O=C(NCCN1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072634316 292167576 /nfs/dbraw/zinc/16/75/76/292167576.db2.gz YNDYRACRVPMZIM-UHFFFAOYSA-N 0 3 332.404 2.021 20 5 EEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000361210840 153456061 /nfs/dbraw/zinc/45/60/61/153456061.db2.gz DETAIUZNKVEXCE-JKSUJKDBSA-N 0 3 349.431 2.000 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000377279086 154123724 /nfs/dbraw/zinc/12/37/24/154123724.db2.gz SQZBNVVNJSUNEZ-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000119428489 159377803 /nfs/dbraw/zinc/37/78/03/159377803.db2.gz PFQXZAWZLQPOHI-LBPRGKRZSA-N 0 3 345.403 2.188 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178485571 159901797 /nfs/dbraw/zinc/90/17/97/159901797.db2.gz LGZMUQSDTPHDSY-HNNXBMFYSA-N 0 3 349.431 2.148 20 5 EEBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247496033 160326453 /nfs/dbraw/zinc/32/64/53/160326453.db2.gz LHIXDIFUZSHEDL-GDBMZVCRSA-N 0 3 340.445 2.408 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342219552 161048444 /nfs/dbraw/zinc/04/84/44/161048444.db2.gz IJTPGLQJVXUFCZ-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343483828 161140249 /nfs/dbraw/zinc/14/02/49/161140249.db2.gz FDHYRIHVJSVGQI-HZMBPMFUSA-N 0 3 325.796 2.390 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000344216902 161208033 /nfs/dbraw/zinc/20/80/33/161208033.db2.gz JAUVQSOCPKNYRF-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000346721633 161396066 /nfs/dbraw/zinc/39/60/66/161396066.db2.gz QMXYMCRHFVWUQO-OAHLLOKOSA-N 0 3 335.404 2.086 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352586393 162200605 /nfs/dbraw/zinc/20/06/05/162200605.db2.gz QGZYJTGFJIHLQS-ZDUSSCGKSA-N 0 3 343.449 2.135 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272697291 269010052 /nfs/dbraw/zinc/01/00/52/269010052.db2.gz YBRDGMCFMBSBEL-FZMZJTMJSA-N 0 3 335.429 2.483 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1 ZINC000275850317 274269506 /nfs/dbraw/zinc/26/95/06/274269506.db2.gz HUAIXVLDMYGFEO-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000288276839 275041701 /nfs/dbraw/zinc/04/17/01/275041701.db2.gz QXDPEGVJQPSBNW-AAEUAGOBSA-N 0 3 328.376 2.042 20 5 EEBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966401 275166186 /nfs/dbraw/zinc/16/61/86/275166186.db2.gz ZGXYIIRRDLMVGH-UXILZDJPSA-N 0 3 331.416 2.403 20 5 EEBDHN C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CN1C1CC1 ZINC000290525950 275215332 /nfs/dbraw/zinc/21/53/32/275215332.db2.gz CVFKUGADKXLFLL-VHSXEESVSA-N 0 3 329.360 2.281 20 5 EEBDHN O=C(CCN1CC[C@H](n2cccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291389496 275300648 /nfs/dbraw/zinc/30/06/48/275300648.db2.gz BHSUPMXHYATXTE-ZDUSSCGKSA-N 0 3 347.350 2.206 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000292842001 275487400 /nfs/dbraw/zinc/48/74/00/275487400.db2.gz UVPNCGXIACNMPN-INIZCTEOSA-N 0 3 330.388 2.285 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000157252171 277157323 /nfs/dbraw/zinc/15/73/23/277157323.db2.gz RIIXWSNJKULJPJ-IAQYHMDHSA-N 0 3 348.359 2.059 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237646835 288327549 /nfs/dbraw/zinc/32/75/49/288327549.db2.gz UJHOGZVNTGVJJD-DTWKUNHWSA-N 0 3 342.193 2.180 20 5 EEBDHN COc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759050 295135363 /nfs/dbraw/zinc/13/53/63/295135363.db2.gz PLVUDGZBJGIECW-IAGOWNOFSA-N 0 3 336.388 2.013 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000330743561 311782581 /nfs/dbraw/zinc/78/25/81/311782581.db2.gz RLHVFXHEFVCRQT-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN CCN1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000332346954 311993647 /nfs/dbraw/zinc/99/36/47/311993647.db2.gz YOPRSGCBZZMOHK-CHWSQXEVSA-N 0 3 335.404 2.376 20 5 EEBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686250 312045396 /nfs/dbraw/zinc/04/53/96/312045396.db2.gz VOCHQIXXOTWESR-GHMZBOCLSA-N 0 3 339.342 2.111 20 5 EEBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000333984630 312224208 /nfs/dbraw/zinc/22/42/08/312224208.db2.gz DZTIEGHDDOQECL-KBPBESRZSA-N 0 3 348.447 2.369 20 5 EEBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520999932 316888408 /nfs/dbraw/zinc/88/84/08/316888408.db2.gz HYGQJNNKAHZPKP-UHFFFAOYSA-N 0 3 348.378 2.276 20 5 EEBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000521318165 316906547 /nfs/dbraw/zinc/90/65/47/316906547.db2.gz OVRITNFHYYSYAA-UHFFFAOYSA-N 0 3 346.391 2.156 20 5 EEBDHN Cn1cc(C(C)(C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000545292739 318214546 /nfs/dbraw/zinc/21/45/46/318214546.db2.gz ISYBTAXQIYCTFN-UHFFFAOYSA-N 0 3 331.376 2.182 20 5 EEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000548453392 318389805 /nfs/dbraw/zinc/38/98/05/318389805.db2.gz OHARNBVZWXCKOB-HNNXBMFYSA-N 0 3 335.404 2.306 20 5 EEBDHN COc1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238419 318741848 /nfs/dbraw/zinc/74/18/48/318741848.db2.gz DUPKWHCFFKAZJP-OAHLLOKOSA-N 0 3 332.356 2.133 20 5 EEBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116060 319247225 /nfs/dbraw/zinc/24/72/25/319247225.db2.gz HLHBATUOHUNDAR-GOEBONIOSA-N 0 3 346.383 2.392 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000576295812 320159149 /nfs/dbraw/zinc/15/91/49/320159149.db2.gz WLKLYUHYJDNUML-UHFFFAOYSA-N 0 3 347.415 2.308 20 5 EEBDHN Cc1noc(C)c1C[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860330 320280580 /nfs/dbraw/zinc/28/05/80/320280580.db2.gz XKHHMAQEKBESLA-RISCZKNCSA-N 0 3 349.387 2.160 20 5 EEBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000182280892 323370812 /nfs/dbraw/zinc/37/08/12/323370812.db2.gz SQXTYTIPFNSBOA-ZBFHGGJFSA-N 0 3 333.388 2.031 20 5 EEBDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000296114540 465085450 /nfs/dbraw/zinc/08/54/50/465085450.db2.gz QOASHSMISBAZPU-GFCCVEGCSA-N 0 3 331.376 2.491 20 5 EEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127516540 462560446 /nfs/dbraw/zinc/56/04/46/462560446.db2.gz YVRWNHPCYMBTOJ-QWRGUYRKSA-N 0 3 331.376 2.026 20 5 EEBDHN CN(CCN1CCCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000063054975 462627848 /nfs/dbraw/zinc/62/78/48/462627848.db2.gz QUOKVYTWJCWXPD-UHFFFAOYSA-N 0 3 329.198 2.284 20 5 EEBDHN O=C(C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000046037230 462640309 /nfs/dbraw/zinc/64/03/09/462640309.db2.gz FXTFEUSQXQKOMI-UHFFFAOYSA-N 0 3 347.415 2.308 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000114383784 462642956 /nfs/dbraw/zinc/64/29/56/462642956.db2.gz NYJFLTJGIDBZPY-UHFFFAOYSA-N 0 3 334.420 2.491 20 5 EEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128492720 462645174 /nfs/dbraw/zinc/64/51/74/462645174.db2.gz QNXHGWVALCQNSK-GFCCVEGCSA-N 0 3 325.340 2.173 20 5 EEBDHN Cc1nc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645238 462703233 /nfs/dbraw/zinc/70/32/33/462703233.db2.gz MBSPYIHKLPQORN-JKSUJKDBSA-N 0 3 342.399 2.346 20 5 EEBDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015360849 462949896 /nfs/dbraw/zinc/94/98/96/462949896.db2.gz JVBLYTYUFNJUJY-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000077841849 463060735 /nfs/dbraw/zinc/06/07/35/463060735.db2.gz GOZHCZWUEORHOW-CQSZACIVSA-N 0 3 349.435 2.180 20 5 EEBDHN Cc1nn(C)c(N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078507025 463123812 /nfs/dbraw/zinc/12/38/12/463123812.db2.gz XWWVPCUPUHKGDM-HNNXBMFYSA-N 0 3 329.404 2.347 20 5 EEBDHN C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCC1 ZINC000079943947 463263332 /nfs/dbraw/zinc/26/33/32/463263332.db2.gz KQSJUTYOXBMOQG-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN COCCCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000122543318 463273083 /nfs/dbraw/zinc/27/30/83/463273083.db2.gz GYJKLABYBFVSMF-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000080231209 463297928 /nfs/dbraw/zinc/29/79/28/463297928.db2.gz MCAIDWBWYKFAGY-TZMCWYRMSA-N 0 3 342.403 2.432 20 5 EEBDHN CN(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000097080907 463316549 /nfs/dbraw/zinc/31/65/49/463316549.db2.gz VWPQRDMQAFYGEN-CQSZACIVSA-N 0 3 329.360 2.414 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108308113 463596794 /nfs/dbraw/zinc/59/67/94/463596794.db2.gz MZRJBTLENPMBRO-MRXNPFEDSA-N 0 3 346.431 2.387 20 5 EEBDHN CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000164517984 463625805 /nfs/dbraw/zinc/62/58/05/463625805.db2.gz FTMCVCSYZKVSBI-INIZCTEOSA-N 0 3 335.404 2.305 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000073688108 463642790 /nfs/dbraw/zinc/64/27/90/463642790.db2.gz AMLQXMYTEORUAK-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](N4CCCC4)C3)o2)cc1 ZINC000170712674 463698538 /nfs/dbraw/zinc/69/85/38/463698538.db2.gz NJXJAIOHONSGNJ-OAHLLOKOSA-N 0 3 343.387 2.315 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286869524 463729694 /nfs/dbraw/zinc/72/96/94/463729694.db2.gz YRQPNCDHDXIQBV-UHFFFAOYSA-N 0 3 329.360 2.474 20 5 EEBDHN COc1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262084023 463942936 /nfs/dbraw/zinc/94/29/36/463942936.db2.gz UCEGDLCJTSFCCN-MRXNPFEDSA-N 0 3 328.372 2.145 20 5 EEBDHN CCO[C@H]1C[C@](CO)(NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579108 464026033 /nfs/dbraw/zinc/02/60/33/464026033.db2.gz YXCYCZJBSFRVJP-DOTOQJQBSA-N 0 3 338.404 2.259 20 5 EEBDHN CCO[C@H]1C[C@](N)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721544 464057170 /nfs/dbraw/zinc/05/71/70/464057170.db2.gz PADQDORAOJOSRA-YOEHRIQHSA-N 0 3 335.404 2.086 20 5 EEBDHN CC(C)N1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000263924221 464241336 /nfs/dbraw/zinc/24/13/36/464241336.db2.gz WYTWAIYERQPOLP-UHFFFAOYSA-N 0 3 332.404 2.400 20 5 EEBDHN CN(CCNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180697487 464373193 /nfs/dbraw/zinc/37/31/93/464373193.db2.gz SIGLQSWNCJKGKM-UHFFFAOYSA-N 0 3 328.372 2.039 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386591 464435780 /nfs/dbraw/zinc/43/57/80/464435780.db2.gz MYRIBOOSUOLBLQ-OLZOCXBDSA-N 0 3 333.388 2.023 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N2CCCC2)cc1 ZINC000285111445 464457490 /nfs/dbraw/zinc/45/74/90/464457490.db2.gz HXDCAWWBHSOWKT-OAHLLOKOSA-N 0 3 343.387 2.193 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294310863 464461996 /nfs/dbraw/zinc/46/19/96/464461996.db2.gz WKKWJDFJTDYHAY-MRXNPFEDSA-N 0 3 348.359 2.061 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153539 464498417 /nfs/dbraw/zinc/49/84/17/464498417.db2.gz CZXYXADEQDFLQJ-SMDDNHRTSA-N 0 3 341.358 2.485 20 5 EEBDHN Cn1ccnc1[C@H](NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514161 464638753 /nfs/dbraw/zinc/63/87/53/464638753.db2.gz JTEAZZIPHOSVBK-MRXNPFEDSA-N 0 3 329.404 2.102 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000248664950 464784020 /nfs/dbraw/zinc/78/40/20/464784020.db2.gz KXLBGHYUTHZKCQ-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1CC(C)(C)O ZINC000282355233 464786697 /nfs/dbraw/zinc/78/66/97/464786697.db2.gz AXPJOAMROVUHQH-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN CNC(=O)c1ccc(N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286461719 464925995 /nfs/dbraw/zinc/92/59/95/464925995.db2.gz VADXQWZCQCWJFT-OCCSQVGLSA-N 0 3 332.404 2.017 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286628082 464983784 /nfs/dbraw/zinc/98/37/84/464983784.db2.gz YCYOULWDWBZMDP-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN Nc1nc(N(CCN2CCCCCC2)C2CCC2)ncc1[N+](=O)[O-] ZINC000359967803 465512789 /nfs/dbraw/zinc/51/27/89/465512789.db2.gz KFWUBEJSCDAIRI-UHFFFAOYSA-N 0 3 334.424 2.202 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990708 468453472 /nfs/dbraw/zinc/45/34/72/468453472.db2.gz JRPRXLIDVFSQSA-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CNc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361171932 465813318 /nfs/dbraw/zinc/81/33/18/465813318.db2.gz PHBVMGKSGWTMHZ-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN COc1ccc(-c2ccc(CN(C)CCC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000348839276 465830513 /nfs/dbraw/zinc/83/05/13/465830513.db2.gz VZZNGHLMZDUPDF-UHFFFAOYSA-N 0 3 333.344 2.171 20 5 EEBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000353504603 465938960 /nfs/dbraw/zinc/93/89/60/465938960.db2.gz SHQGYPQSRSVWMR-DYVFJYSZSA-N 0 3 343.431 2.490 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699426 465951646 /nfs/dbraw/zinc/95/16/46/465951646.db2.gz OWVNLZAQFLQLRE-FRFSOERESA-N 0 3 338.404 2.374 20 5 EEBDHN C[C@@H]1CCC[C@@H](CO)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839134 466479317 /nfs/dbraw/zinc/47/93/17/466479317.db2.gz GMRYSTZVRNINJZ-OCCSQVGLSA-N 0 3 349.387 2.128 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673374 468501218 /nfs/dbraw/zinc/50/12/18/468501218.db2.gz RTQVQONZPFTKKF-ZYHUDNBSSA-N 0 3 327.331 2.325 20 5 EEBDHN CC(C)OCCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413179139 467185170 /nfs/dbraw/zinc/18/51/70/467185170.db2.gz HZYVCUBUGCTYPS-UHFFFAOYSA-N 0 3 326.372 2.430 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000451082836 467243173 /nfs/dbraw/zinc/24/31/73/467243173.db2.gz GYDBPAWZUUVJPP-CYBMUJFWSA-N 0 3 346.431 2.258 20 5 EEBDHN O=C(CNc1c(F)cccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431496342 467520632 /nfs/dbraw/zinc/52/06/32/467520632.db2.gz MXBIGZQAAGKBNO-UHFFFAOYSA-N 0 3 338.383 2.138 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457954392 467739122 /nfs/dbraw/zinc/73/91/22/467739122.db2.gz NVGPRWPZWCFRNP-INIZCTEOSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1c(CNC[C@H](O)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763485 468517385 /nfs/dbraw/zinc/51/73/85/468517385.db2.gz LNGBZIRQAMVGOT-SFHVURJKSA-N 0 3 343.427 2.486 20 5 EEBDHN CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000591994197 468593074 /nfs/dbraw/zinc/59/30/74/468593074.db2.gz FATGIRZBYHISNS-INIZCTEOSA-N 0 3 334.420 2.263 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(C[C@@H]2CCCO2)CC1 ZINC000594494426 468608239 /nfs/dbraw/zinc/60/82/39/468608239.db2.gz FYOBDIADNSGZON-KRWDZBQOSA-N 0 3 349.431 2.336 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC12CCCN1CCC2 ZINC000597588992 468609805 /nfs/dbraw/zinc/60/98/05/468609805.db2.gz RWZOWKDBEUFJTI-UHFFFAOYSA-N 0 3 345.399 2.302 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594596541 468630763 /nfs/dbraw/zinc/63/07/63/468630763.db2.gz ANQLUUJNPQVLLZ-WCQYABFASA-N 0 3 334.376 2.205 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1-n1ccnc1 ZINC000592356300 468682528 /nfs/dbraw/zinc/68/25/28/468682528.db2.gz KSVILYICOAIHRV-NSHDSACASA-N 0 3 326.316 2.255 20 5 EEBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592435375 468697905 /nfs/dbraw/zinc/69/79/05/468697905.db2.gz VPJKDAOOIAJJAU-INIZCTEOSA-N 0 3 335.404 2.055 20 5 EEBDHN CCCN1CC[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097585 468758234 /nfs/dbraw/zinc/75/82/34/468758234.db2.gz YALXYQOTNSFSEV-RDJZCZTQSA-N 0 3 343.431 2.492 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000598342569 468836614 /nfs/dbraw/zinc/83/66/14/468836614.db2.gz KZQJXNUJEWAFPT-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000593093283 468867674 /nfs/dbraw/zinc/86/76/74/468867674.db2.gz SNQTYHPQMMVTQN-ZDUSSCGKSA-N 0 3 338.408 2.378 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000610476231 468978905 /nfs/dbraw/zinc/97/89/05/468978905.db2.gz JVQKANCYSYMWQP-INIZCTEOSA-N 0 3 337.395 2.421 20 5 EEBDHN O=C1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1 ZINC000602639405 468982974 /nfs/dbraw/zinc/98/29/74/468982974.db2.gz ICIDUOMCBGSSFL-NSHDSACASA-N 0 3 331.294 2.372 20 5 EEBDHN CCOc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515203 468990645 /nfs/dbraw/zinc/99/06/45/468990645.db2.gz BGOSONPUCRNHNE-HOCLYGCPSA-N 0 3 335.404 2.029 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582605 469009544 /nfs/dbraw/zinc/00/95/44/469009544.db2.gz CTDFTLUQJQEPQJ-INIZCTEOSA-N 0 3 326.360 2.019 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN(CCN2CCOCC2)CC2CC2)cc1 ZINC000595806726 469020205 /nfs/dbraw/zinc/02/02/05/469020205.db2.gz FPBWACHBYKZXHO-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN NC(=O)CC1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602700757 469020818 /nfs/dbraw/zinc/02/08/18/469020818.db2.gz WYDMSDBFCJGHSU-UHFFFAOYSA-N 0 3 331.294 2.359 20 5 EEBDHN CCOC(=O)CC1(NCc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000595873537 469056947 /nfs/dbraw/zinc/05/69/47/469056947.db2.gz COOYEHOMMZBQEQ-UHFFFAOYSA-N 0 3 336.388 2.495 20 5 EEBDHN CC(C)[C@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783298 469070264 /nfs/dbraw/zinc/07/02/64/469070264.db2.gz JCIBHBVCWZURQV-AEFFLSMTSA-N 0 3 344.415 2.408 20 5 EEBDHN CN(CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599155995 469141384 /nfs/dbraw/zinc/14/13/84/469141384.db2.gz FOBZPWKRNQBHQT-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN C[C@H](CC1CCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611335865 469230137 /nfs/dbraw/zinc/23/01/37/469230137.db2.gz DNAUKNYQFVTFSH-GFCCVEGCSA-N 0 3 341.433 2.041 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCOc2ccc3c(c2)OCO3)cc1 ZINC000776274971 577456273 /nfs/dbraw/zinc/45/62/73/577456273.db2.gz FACKDRBWIZOTEO-HNNXBMFYSA-N 0 3 346.339 2.026 20 5 EEBDHN CC1(C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000776590059 577463557 /nfs/dbraw/zinc/46/35/57/577463557.db2.gz ASTSGDZPRNZIIK-MRXNPFEDSA-N 0 3 336.388 2.103 20 5 EEBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000759696285 577648001 /nfs/dbraw/zinc/64/80/01/577648001.db2.gz GIQMKPNMDZYQOR-RYUDHWBXSA-N 0 3 349.391 2.432 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000742074344 578127101 /nfs/dbraw/zinc/12/71/01/578127101.db2.gz IJYSRXQTXMFPGU-HNNXBMFYSA-N 0 3 347.415 2.276 20 5 EEBDHN COc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000118572749 683434489 /nfs/dbraw/zinc/43/44/89/683434489.db2.gz XWZCDHMSOCWNNU-INIZCTEOSA-N 0 3 332.356 2.435 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000985408158 686566117 /nfs/dbraw/zinc/56/61/17/686566117.db2.gz XTOFKVGYKCRSET-UHFFFAOYSA-N 0 3 349.431 2.179 20 5 EEBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000125444153 1199280497 /nfs/dbraw/zinc/28/04/97/1199280497.db2.gz MSONIXOFPSMZLZ-UHFFFAOYSA-N 0 3 349.840 2.177 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cccc(F)n3)CC2)cn1 ZINC000877115582 1199864249 /nfs/dbraw/zinc/86/42/49/1199864249.db2.gz OYWPSRZDIJGGBT-UHFFFAOYSA-N 0 3 331.351 2.283 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001133193577 1200577689 /nfs/dbraw/zinc/57/76/89/1200577689.db2.gz WMZUCYXYVWCHFI-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100565 1201095955 /nfs/dbraw/zinc/09/59/55/1201095955.db2.gz UMHGMLLDVRPFCJ-LQJRIPTKSA-N 0 3 340.763 2.068 20 5 EEBDHN CC(COC(=O)CCNC(=O)c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813109797 1201121362 /nfs/dbraw/zinc/12/13/62/1201121362.db2.gz OXBZCFOFCVAEKG-GFCCVEGCSA-N 0 3 330.340 2.168 20 5 EEBDHN CC(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813111834 1201123556 /nfs/dbraw/zinc/12/35/56/1201123556.db2.gz AQGPUOBHNGXWHN-GFCCVEGCSA-N 0 3 340.335 2.363 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000866336285 1201495624 /nfs/dbraw/zinc/49/56/24/1201495624.db2.gz PDLMXLWZHYQWPF-RISCZKNCSA-N 0 3 344.408 2.222 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095606358 1205889457 /nfs/dbraw/zinc/88/94/57/1205889457.db2.gz FHDFNUMGQFMCRR-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN O=C(NC1CC2(CC(NCc3csc([N+](=O)[O-])c3)C2)C1)C(F)F ZINC000963451866 1217640135 /nfs/dbraw/zinc/64/01/35/1217640135.db2.gz NHFLUWCYULSULS-UHFFFAOYSA-N 0 3 345.371 2.438 20 5 EEBDHN Cc1ccc(NCCCNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000119462854 1229525201 /nfs/dbraw/zinc/52/52/01/1229525201.db2.gz NDQJHVSDBFFTMB-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000801965835 1236550653 /nfs/dbraw/zinc/55/06/53/1236550653.db2.gz YXKDZEXZQWLNQU-NSHDSACASA-N 0 3 336.367 2.063 20 5 EEBDHN CC[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341982 1240274316 /nfs/dbraw/zinc/27/43/16/1240274316.db2.gz ABVHYUVQEGJHCO-KBPBESRZSA-N 0 3 337.420 2.365 20 5 EEBDHN CN(CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC001097103517 1243702389 /nfs/dbraw/zinc/70/23/89/1243702389.db2.gz ISYURUYGYPQWIZ-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCC(C)(C)C1 ZINC001101954462 1246268562 /nfs/dbraw/zinc/26/85/62/1246268562.db2.gz KOFMRRZSGDOXKQ-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216294363 1297128837 /nfs/dbraw/zinc/12/88/37/1297128837.db2.gz XXWXVIDFEIMRAL-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001118736624 1308936080 /nfs/dbraw/zinc/93/60/80/1308936080.db2.gz XGDQGDGSXVJBKB-LLVKDONJSA-N 0 3 336.348 2.026 20 5 EEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841571232 1315580657 /nfs/dbraw/zinc/58/06/57/1315580657.db2.gz BPBSBGWEWMHQFL-UHFFFAOYSA-N 0 3 347.462 2.151 20 5 EEBDHN CC(C)(C)OC(=O)N1CC(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254565633 1318122239 /nfs/dbraw/zinc/12/22/39/1318122239.db2.gz FBLBCAYXIYPUTL-CYBMUJFWSA-N 0 3 333.388 2.271 20 5 EEBDHN Cc1cnc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254611786 1318143871 /nfs/dbraw/zinc/14/38/71/1318143871.db2.gz SYNNBRQPBCROPI-IRXDYDNUSA-N 0 3 340.383 2.314 20 5 EEBDHN COc1cc(N2CCC(NCc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256085569 1318643412 /nfs/dbraw/zinc/64/34/12/1318643412.db2.gz QLYODHMHGCYKNX-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN CCN(C1COC1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100972 1318647190 /nfs/dbraw/zinc/64/71/90/1318647190.db2.gz WRHJYSWSILNFAK-UHFFFAOYSA-N 0 3 335.404 2.293 20 5 EEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)n1 ZINC001158650212 1319354630 /nfs/dbraw/zinc/35/46/30/1319354630.db2.gz YDYMKQOUEKBSFX-UHFFFAOYSA-N 0 3 334.767 2.285 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001160338376 1320139138 /nfs/dbraw/zinc/13/91/38/1320139138.db2.gz ZMGKKPYUHMGNDW-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN CCOCCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163777235 1321215045 /nfs/dbraw/zinc/21/50/45/1321215045.db2.gz HGOZYWDZKDSPLH-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(-n3cnc4c3CNCC4)c2c1 ZINC001164313845 1321348191 /nfs/dbraw/zinc/34/81/91/1321348191.db2.gz UPQIKOSRJSUZAN-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CC[NH+](C2CCC2)CC1 ZINC001609601066 1352031067 /nfs/dbraw/zinc/03/10/67/1352031067.db2.gz PHZRQZBSFZYKDN-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CC[NH+](C2CCC2)CC1 ZINC001609601066 1352031068 /nfs/dbraw/zinc/03/10/68/1352031068.db2.gz PHZRQZBSFZYKDN-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN Cc1cccnc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724198 1336585715 /nfs/dbraw/zinc/58/57/15/1336585715.db2.gz ZXIAOMBNPHTDGN-KBPBESRZSA-N 0 3 331.372 2.389 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100645784 1338592941 /nfs/dbraw/zinc/59/29/41/1338592941.db2.gz GCCYQDPQKZZUEE-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CC(C)C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555393 1349004070 /nfs/dbraw/zinc/00/40/70/1349004070.db2.gz AWYKVZNUUPPORB-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555393 1349004076 /nfs/dbraw/zinc/00/40/76/1349004076.db2.gz AWYKVZNUUPPORB-LBPRGKRZSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589714198 1349023250 /nfs/dbraw/zinc/02/32/50/1349023250.db2.gz FFCJMDHCGWJVCO-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589714198 1349023254 /nfs/dbraw/zinc/02/32/54/1349023254.db2.gz FFCJMDHCGWJVCO-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589714198 1349023258 /nfs/dbraw/zinc/02/32/58/1349023258.db2.gz FFCJMDHCGWJVCO-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589714198 1349023260 /nfs/dbraw/zinc/02/32/60/1349023260.db2.gz FFCJMDHCGWJVCO-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470463 1349344042 /nfs/dbraw/zinc/34/40/42/1349344042.db2.gz QIJFDWUAZLBBJD-CQSZACIVSA-N 0 3 346.391 2.070 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470463 1349344047 /nfs/dbraw/zinc/34/40/47/1349344047.db2.gz QIJFDWUAZLBBJD-CQSZACIVSA-N 0 3 346.391 2.070 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CC([NH+]2CCCCC2)C1 ZINC001593474395 1349807706 /nfs/dbraw/zinc/80/77/06/1349807706.db2.gz HKCXVYQFMZKDAN-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CC([NH+]2CCCCC2)C1 ZINC001593474395 1349807710 /nfs/dbraw/zinc/80/77/10/1349807710.db2.gz HKCXVYQFMZKDAN-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861036357 1369485061 /nfs/dbraw/zinc/48/50/61/1369485061.db2.gz LPZGMTDPLIIZJW-CJNGLKHVSA-N 0 3 336.388 2.352 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000817907123 785062058 /nfs/dbraw/zinc/06/20/58/785062058.db2.gz KFLIPCKYFNUCOQ-HUUCEWRRSA-N 0 3 325.796 2.105 20 5 EEBDHN Cc1nc(NCCCN(C)C(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001109547881 805650732 /nfs/dbraw/zinc/65/07/32/805650732.db2.gz ZTKZDIHQHQPKAT-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CN(C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671717 787864454 /nfs/dbraw/zinc/86/44/54/787864454.db2.gz UGYWQVFMJGOQRL-IAGOWNOFSA-N 0 3 343.383 2.047 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001148504601 792500834 /nfs/dbraw/zinc/50/08/34/792500834.db2.gz ADEXKSLCELLBIY-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CCOCCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001127378879 796268073 /nfs/dbraw/zinc/26/80/73/796268073.db2.gz CNNFODGXUIBVHS-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094523529 796356755 /nfs/dbraw/zinc/35/67/55/796356755.db2.gz BOXYDLOWNXDZRC-UHFFFAOYSA-N 0 3 331.376 2.096 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011089 803570696 /nfs/dbraw/zinc/57/06/96/803570696.db2.gz IGOTZMLFKBZOSL-RFGFWPKPSA-N 0 3 325.409 2.125 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013968 803571043 /nfs/dbraw/zinc/57/10/43/803571043.db2.gz WZQIQYRGXPDCHN-SYQHCUMBSA-N 0 3 325.409 2.125 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504354 807554648 /nfs/dbraw/zinc/55/46/48/807554648.db2.gz CJRFWQUAOWPHEW-TZMCWYRMSA-N 0 3 331.372 2.268 20 5 EEBDHN Cc1c(Cl)cncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129929683 811040913 /nfs/dbraw/zinc/04/09/13/811040913.db2.gz SXPJHPQYJZUBEQ-UHFFFAOYSA-N 0 3 348.790 2.471 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001130919979 812201301 /nfs/dbraw/zinc/20/13/01/812201301.db2.gz FHIOSHKGDWBWMP-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H](C)[C@@H]1CNCCO1 ZINC001170571568 812985532 /nfs/dbraw/zinc/98/55/32/812985532.db2.gz MYAHLPGNDSTFAQ-SKDRFNHKSA-N 0 3 329.784 2.354 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001515987495 1118992642 /nfs/dbraw/zinc/99/26/42/1118992642.db2.gz HVOWUOOHPUQUKF-GFCCVEGCSA-N 0 3 348.403 2.230 20 5 EEBDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808788 282126711 /nfs/dbraw/zinc/12/67/11/282126711.db2.gz CITNYVGJKOYIFP-CZUORRHYSA-N 0 3 327.388 2.477 20 5 EEBDHN Cc1nn(C)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187190420 282255665 /nfs/dbraw/zinc/25/56/65/282255665.db2.gz CLKHLCUTCRTZCL-SMDDNHRTSA-N 0 3 345.403 2.058 20 5 EEBDHN Nc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000069708454 202291283 /nfs/dbraw/zinc/29/12/83/202291283.db2.gz GSQIRWJHPFVBEY-GFCCVEGCSA-N 0 3 336.367 2.017 20 5 EEBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000426107781 241219481 /nfs/dbraw/zinc/21/94/81/241219481.db2.gz BIUVTHGEKQFTMC-LLVKDONJSA-N 0 3 331.294 2.095 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000426930819 241357428 /nfs/dbraw/zinc/35/74/28/241357428.db2.gz FFMLNKJYBHCERF-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000445896403 242140522 /nfs/dbraw/zinc/14/05/22/242140522.db2.gz HZUSSOOEKUTQEK-SWLSCSKDSA-N 0 3 332.404 2.145 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236721494 242333097 /nfs/dbraw/zinc/33/30/97/242333097.db2.gz YYNZLGJXRGSJJY-HNNXBMFYSA-N 0 3 345.403 2.039 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCN3CCCOCC3)C2)cc1 ZINC000451552719 243157447 /nfs/dbraw/zinc/15/74/47/243157447.db2.gz XGNPTOHZKQKNEQ-KRWDZBQOSA-N 0 3 333.432 2.497 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC)C1 ZINC000076348145 203349237 /nfs/dbraw/zinc/34/92/37/203349237.db2.gz HFHMKDPGRQJIJY-ZDUSSCGKSA-N 0 3 337.376 2.043 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780571 245246026 /nfs/dbraw/zinc/24/60/26/245246026.db2.gz XYLRGTAIXKFSKT-TUKIKUTGSA-N 0 3 333.388 2.469 20 5 EEBDHN Cc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000134088650 205392076 /nfs/dbraw/zinc/39/20/76/205392076.db2.gz FGTAOOVDBFBTFR-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264209627 246184973 /nfs/dbraw/zinc/18/49/73/246184973.db2.gz RZKPILHRAGPAOQ-CYBMUJFWSA-N 0 3 345.355 2.287 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000161266447 206338143 /nfs/dbraw/zinc/33/81/43/206338143.db2.gz PJKGBVJZPNNHEA-QMTHXVAHSA-N 0 3 339.342 2.429 20 5 EEBDHN Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174664994 207044134 /nfs/dbraw/zinc/04/41/34/207044134.db2.gz OEPXCSZIBKTOHI-NWDGAFQWSA-N 0 3 348.359 2.120 20 5 EEBDHN C[C@@](CO)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000174792507 207060130 /nfs/dbraw/zinc/06/01/30/207060130.db2.gz FBWYWPNESSWITM-KRWDZBQOSA-N 0 3 335.404 2.115 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176442200 207228465 /nfs/dbraw/zinc/22/84/65/207228465.db2.gz DOQURPUQJYNDBF-WBVHZDCISA-N 0 3 346.431 2.406 20 5 EEBDHN CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000267326655 256049197 /nfs/dbraw/zinc/04/91/97/256049197.db2.gz PRBXDIARNRSELD-UHFFFAOYSA-N 0 3 334.420 2.369 20 5 EEBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267527392 256066571 /nfs/dbraw/zinc/06/65/71/256066571.db2.gz OPLQVVIYHAOIME-LBPRGKRZSA-N 0 3 344.371 2.015 20 5 EEBDHN COCCN1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000267968909 256100474 /nfs/dbraw/zinc/10/04/74/256100474.db2.gz MHQNXAKGZPQAST-CYBMUJFWSA-N 0 3 336.392 2.054 20 5 EEBDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094880 256112377 /nfs/dbraw/zinc/11/23/77/256112377.db2.gz CLTPCIAHFCIZID-MQIPJXDCSA-N 0 3 332.404 2.438 20 5 EEBDHN CN(C(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058123 256261372 /nfs/dbraw/zinc/26/13/72/256261372.db2.gz LWUKXFBZMCYNIA-SJORKVTESA-N 0 3 333.388 2.105 20 5 EEBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042153 256348543 /nfs/dbraw/zinc/34/85/43/256348543.db2.gz OPEJTSSPHVUFCA-GFCCVEGCSA-N 0 3 329.784 2.183 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120375269 142387001 /nfs/dbraw/zinc/38/70/01/142387001.db2.gz IYWHXBZMGWZNQS-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106789429 159322260 /nfs/dbraw/zinc/32/22/60/159322260.db2.gz UDWDEWJHADGNFZ-CYBMUJFWSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237447289 160221770 /nfs/dbraw/zinc/22/17/70/160221770.db2.gz ZCJFNCYEZLOBJU-OUAUKWLOSA-N 0 3 341.795 2.224 20 5 EEBDHN COCC1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343767607 161166259 /nfs/dbraw/zinc/16/62/59/161166259.db2.gz OGIHKHHCYLSDDA-AWEZNQCLSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000359810307 164176295 /nfs/dbraw/zinc/17/62/95/164176295.db2.gz OWZJBJXCKVDIRF-DOMZBBRYSA-N 0 3 328.372 2.316 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712604 164770644 /nfs/dbraw/zinc/77/06/44/164770644.db2.gz BATQWWTZWPZCNH-UKPHBRMFSA-N 0 3 338.404 2.374 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000274451775 269034157 /nfs/dbraw/zinc/03/41/57/269034157.db2.gz IXANSEJEOHYNCU-LLVKDONJSA-N 0 3 327.816 2.081 20 5 EEBDHN CSc1ccccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000280428482 269361367 /nfs/dbraw/zinc/36/13/67/269361367.db2.gz MHGHGJAKPYGXMJ-CQSZACIVSA-N 0 3 336.417 2.006 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000280466702 269364745 /nfs/dbraw/zinc/36/47/45/269364745.db2.gz GCGBLUUAXGSNDF-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294172985 293387862 /nfs/dbraw/zinc/38/78/62/293387862.db2.gz CNVVEOHYTNAHNY-UHFFFAOYSA-N 0 3 340.399 2.212 20 5 EEBDHN CN(C)C(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295109708 293616992 /nfs/dbraw/zinc/61/69/92/293616992.db2.gz IKDBSBAZAJHHAX-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285792 293936296 /nfs/dbraw/zinc/93/62/96/293936296.db2.gz ZECZOMGRUAWERA-HFBAOOFYSA-N 0 3 335.404 2.207 20 5 EEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296565426 294009585 /nfs/dbraw/zinc/00/95/85/294009585.db2.gz PXZRFNIFXYKQKA-UHFFFAOYSA-N 0 3 337.420 2.118 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000444164128 315277869 /nfs/dbraw/zinc/27/78/69/315277869.db2.gz CXSVUVNKJKGUTG-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN CSc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000521793131 316930650 /nfs/dbraw/zinc/93/06/50/316930650.db2.gz YIUKQCCWCYHJCS-ZDUSSCGKSA-N 0 3 349.416 2.073 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570676444 319687400 /nfs/dbraw/zinc/68/74/00/319687400.db2.gz PWNXXEBDHSSXAL-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN CC[C@@H](C)[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316778 320307145 /nfs/dbraw/zinc/30/71/45/320307145.db2.gz LXDHXDIQCQAZKW-IUODEOHRSA-N 0 3 344.433 2.019 20 5 EEBDHN CC[C@@H](C)[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316777 320307166 /nfs/dbraw/zinc/30/71/66/320307166.db2.gz LXDHXDIQCQAZKW-DOMZBBRYSA-N 0 3 344.433 2.019 20 5 EEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182298086 323371900 /nfs/dbraw/zinc/37/19/00/323371900.db2.gz RPKBAWGBJPURPM-GXTWGEPZSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1cc(NC[C@H]2CN(C)CCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000326123502 465034740 /nfs/dbraw/zinc/03/47/40/465034740.db2.gz GIFAOLAWMWJOPQ-AWEZNQCLSA-N 0 3 329.404 2.109 20 5 EEBDHN CN(C)C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1 ZINC000336870075 465061991 /nfs/dbraw/zinc/06/19/91/465061991.db2.gz HCVCCRUGLUNEJY-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CC(F)(F)F ZINC000358373490 465085111 /nfs/dbraw/zinc/08/51/11/465085111.db2.gz XWDINKTYLYTMFX-KOLCDFICSA-N 0 3 349.309 2.215 20 5 EEBDHN COCCOC1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000296444767 465197801 /nfs/dbraw/zinc/19/78/01/465197801.db2.gz MNKNCYCYMAQGDD-CQSZACIVSA-N 0 3 338.404 2.458 20 5 EEBDHN COc1cc(CN[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533023 465219354 /nfs/dbraw/zinc/21/93/54/465219354.db2.gz PSMKGCQSGHVOIM-UWVGGRQHSA-N 0 3 348.346 2.496 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000341960278 465278161 /nfs/dbraw/zinc/27/81/61/465278161.db2.gz GTQYLTISYUFPQN-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN C[C@@H]1CCN(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048270 468302199 /nfs/dbraw/zinc/30/21/99/468302199.db2.gz MSZQGPGKSODDFY-RHSMWYFYSA-N 0 3 343.431 2.349 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000113197727 462575903 /nfs/dbraw/zinc/57/59/03/462575903.db2.gz SGUGWTKUVWAKNP-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089644493 462702725 /nfs/dbraw/zinc/70/27/25/462702725.db2.gz YVOJXAMJBZKJQQ-DOTOQJQBSA-N 0 3 342.399 2.346 20 5 EEBDHN Nc1nc(NC[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000065202039 462741684 /nfs/dbraw/zinc/74/16/84/462741684.db2.gz XRMQPXMGHPHCHH-AWEZNQCLSA-N 0 3 342.403 2.291 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000066923784 462948127 /nfs/dbraw/zinc/94/81/27/462948127.db2.gz NZHXJXSQNFDWAD-JTQLQIEISA-N 0 3 341.795 2.226 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000068264027 463113363 /nfs/dbraw/zinc/11/33/63/463113363.db2.gz UQXSTSHSMFYMBS-AWEZNQCLSA-N 0 3 345.403 2.303 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N(C)C ZINC000033093537 463412383 /nfs/dbraw/zinc/41/23/83/463412383.db2.gz DIIJTBYMCKRFAH-CYBMUJFWSA-N 0 3 334.420 2.265 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000177787643 463791562 /nfs/dbraw/zinc/79/15/62/463791562.db2.gz QEGGAHNXUDXQFU-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000261883410 463887550 /nfs/dbraw/zinc/88/75/50/463887550.db2.gz YUXRPCOBNWKVMN-JKSUJKDBSA-N 0 3 341.367 2.170 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)c1C ZINC000194771252 463926342 /nfs/dbraw/zinc/92/63/42/463926342.db2.gz VFQZBYQFBAUWPK-CYBMUJFWSA-N 0 3 341.433 2.007 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000284810243 464350002 /nfs/dbraw/zinc/35/00/02/464350002.db2.gz KRMRGJSNLQPFSR-WMZOPIPTSA-N 0 3 349.431 2.287 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264667337 464415129 /nfs/dbraw/zinc/41/51/29/464415129.db2.gz KFSVTHJOEPCXML-UHFFFAOYSA-N 0 3 345.403 2.132 20 5 EEBDHN CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N(C)C ZINC000271977581 464434473 /nfs/dbraw/zinc/43/44/73/464434473.db2.gz DFEMKTBCAWDMGD-OCCSQVGLSA-N 0 3 336.417 2.213 20 5 EEBDHN C[C@@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099044 464454097 /nfs/dbraw/zinc/45/40/97/464454097.db2.gz KFUAHHDFXMNVER-OCCSQVGLSA-N 0 3 344.419 2.230 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000281674396 464543843 /nfs/dbraw/zinc/54/38/43/464543843.db2.gz UEOBEAWRZDURRS-DZGCQCFKSA-N 0 3 347.415 2.271 20 5 EEBDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381604 464544382 /nfs/dbraw/zinc/54/43/82/464544382.db2.gz ABLJQNQLLZQLBU-DOMZBBRYSA-N 0 3 335.404 2.209 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000285634559 464636839 /nfs/dbraw/zinc/63/68/39/464636839.db2.gz AJZKBIIIBYSKFO-CYBMUJFWSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775799 464692592 /nfs/dbraw/zinc/69/25/92/464692592.db2.gz DRIWNEWMMZZDCY-NVXWUHKLSA-N 0 3 349.431 2.159 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373441 464896807 /nfs/dbraw/zinc/89/68/07/464896807.db2.gz YUKGZBYPIUXDJD-GUTXKFCHSA-N 0 3 335.404 2.371 20 5 EEBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000298502303 465414197 /nfs/dbraw/zinc/41/41/97/465414197.db2.gz POOOCLLIJUDFIT-UONOGXRCSA-N 0 3 335.404 2.210 20 5 EEBDHN CCN(Cc1ccncc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298686503 465472053 /nfs/dbraw/zinc/47/20/53/465472053.db2.gz PIEQENICNTVBIU-OAHLLOKOSA-N 0 3 331.372 2.252 20 5 EEBDHN CN1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000352089993 465474444 /nfs/dbraw/zinc/47/44/44/465474444.db2.gz TXVIHPVDVWKJPC-RISCZKNCSA-N 0 3 329.360 2.175 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344735083 465782963 /nfs/dbraw/zinc/78/29/63/465782963.db2.gz ZTHJRGPNWSMZGW-LBPRGKRZSA-N 0 3 349.435 2.388 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344735083 465782970 /nfs/dbraw/zinc/78/29/70/465782970.db2.gz ZTHJRGPNWSMZGW-LBPRGKRZSA-N 0 3 349.435 2.388 20 5 EEBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000330814153 465813768 /nfs/dbraw/zinc/81/37/68/465813768.db2.gz PWAFXRSWIVWMTL-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccn(CCN(C)C)n1 ZINC000345043319 465818306 /nfs/dbraw/zinc/81/83/06/465818306.db2.gz HDMDFOJXMJPTOL-KAMYIIQDSA-N 0 3 329.404 2.868 20 5 EEBDHN CC(C)N(C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497576 465932768 /nfs/dbraw/zinc/93/27/68/465932768.db2.gz PNAGFXQBLLYHQU-INIZCTEOSA-N 0 3 331.420 2.348 20 5 EEBDHN CN1CCC[C@@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301269984 465932992 /nfs/dbraw/zinc/93/29/92/465932992.db2.gz HKVRDEPGLWZRRN-CQSZACIVSA-N 0 3 338.839 2.464 20 5 EEBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252813 466032450 /nfs/dbraw/zinc/03/24/50/466032450.db2.gz ZGPLTZLGOAEJLU-DVOMOZLQSA-N 0 3 347.415 2.406 20 5 EEBDHN Cc1c(CNC(=O)[C@H]2CCCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000331609344 466161428 /nfs/dbraw/zinc/16/14/28/466161428.db2.gz PCBHNBBYSSWIEU-QGZVFWFLSA-N 0 3 347.415 2.163 20 5 EEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313986369 466545768 /nfs/dbraw/zinc/54/57/68/466545768.db2.gz NAQXNMIRFHCCEY-SECBINFHSA-N 0 3 335.813 2.044 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673372 468501355 /nfs/dbraw/zinc/50/13/55/468501355.db2.gz RTQVQONZPFTKKF-JQWIXIFHSA-N 0 3 327.331 2.325 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000363919330 466654404 /nfs/dbraw/zinc/65/44/04/466654404.db2.gz JNUMFWSATWJOQW-OAHLLOKOSA-N 0 3 336.411 2.339 20 5 EEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000411175807 466777903 /nfs/dbraw/zinc/77/79/03/466777903.db2.gz RMCMDVHCVWYTGG-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN C[C@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375697384 466865901 /nfs/dbraw/zinc/86/59/01/466865901.db2.gz LIGFULQEYDLQCM-LBPRGKRZSA-N 0 3 333.388 2.471 20 5 EEBDHN Cn1ncc2c1CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000411857364 466918606 /nfs/dbraw/zinc/91/86/06/466918606.db2.gz SBUAPKSWPJFUEC-UHFFFAOYSA-N 0 3 343.387 2.105 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423982687 466936593 /nfs/dbraw/zinc/93/65/93/466936593.db2.gz RYAIFUHAFQRNTN-HNNXBMFYSA-N 0 3 342.399 2.385 20 5 EEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411977059 466954426 /nfs/dbraw/zinc/95/44/26/466954426.db2.gz XRCXSIJFLCPOPU-GOSISDBHSA-N 0 3 325.368 2.224 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412354530 467072859 /nfs/dbraw/zinc/07/28/59/467072859.db2.gz BLILCVDEBONAKL-LZLYRXPVSA-N 0 3 329.400 2.253 20 5 EEBDHN CCOC(=O)c1ccnc(N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000450949168 467213511 /nfs/dbraw/zinc/21/35/11/467213511.db2.gz AAJPFCONTAJDPZ-LBPRGKRZSA-N 0 3 336.392 2.085 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429312743 467324631 /nfs/dbraw/zinc/32/46/31/467324631.db2.gz DYTYYHQGDAOKJO-ZDUSSCGKSA-N 0 3 341.367 2.304 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000430228212 467410076 /nfs/dbraw/zinc/41/00/76/467410076.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000430228212 467410080 /nfs/dbraw/zinc/41/00/80/467410080.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000430228212 467410082 /nfs/dbraw/zinc/41/00/82/467410082.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 0 3 331.376 2.410 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457102176 467752848 /nfs/dbraw/zinc/75/28/48/467752848.db2.gz ZOWZVYBKFGQNMJ-INIZCTEOSA-N 0 3 347.415 2.499 20 5 EEBDHN CO[C@H]1COCC[C@H]1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000450700223 467894187 /nfs/dbraw/zinc/89/41/87/467894187.db2.gz LWVVCKCZBUKVEM-SJCJKPOMSA-N 0 3 331.372 2.337 20 5 EEBDHN CC(C)[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1C ZINC000487059104 468020149 /nfs/dbraw/zinc/02/01/49/468020149.db2.gz IKEBPWTYKSSRLN-CQSZACIVSA-N 0 3 331.376 2.421 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966262 468060573 /nfs/dbraw/zinc/06/05/73/468060573.db2.gz LSBNASPOHIQXQR-ZJNRKIDTSA-N 0 3 344.367 2.446 20 5 EEBDHN CO[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1OC ZINC000487977685 468064627 /nfs/dbraw/zinc/06/46/27/468064627.db2.gz WJQABQQZKNIXAM-HZPDHXFCSA-N 0 3 347.371 2.138 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488695327 468097649 /nfs/dbraw/zinc/09/76/49/468097649.db2.gz RFFIFUVNQCXLIW-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218927 468234300 /nfs/dbraw/zinc/23/43/00/468234300.db2.gz IJFRWBRHZDFULO-UKRRQHHQSA-N 0 3 348.403 2.357 20 5 EEBDHN CCOC(=O)Cc1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000591909853 468563464 /nfs/dbraw/zinc/56/34/64/468563464.db2.gz YUKOSYNKGFATNX-AWEZNQCLSA-N 0 3 335.404 2.454 20 5 EEBDHN CN1CCCC[C@H]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000583203058 468661546 /nfs/dbraw/zinc/66/15/46/468661546.db2.gz JHXCPWINRWLHHE-ZDUSSCGKSA-N 0 3 332.360 2.286 20 5 EEBDHN CC[C@@H](C)C[C@H](CO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375627 468685425 /nfs/dbraw/zinc/68/54/25/468685425.db2.gz XDDFXNCYXSQSPK-DGCLKSJQSA-N 0 3 326.393 2.499 20 5 EEBDHN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1 ZINC000592831699 468799148 /nfs/dbraw/zinc/79/91/48/468799148.db2.gz NTPVWZMCCPUIOV-GFCCVEGCSA-N 0 3 331.376 2.027 20 5 EEBDHN CC(C)[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182736 468816299 /nfs/dbraw/zinc/81/62/99/468816299.db2.gz JMIPZOCSYLXFLR-WBVHZDCISA-N 0 3 347.415 2.055 20 5 EEBDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053756 468853537 /nfs/dbraw/zinc/85/35/37/468853537.db2.gz LPPLDVXIYYJFAS-HUUCEWRRSA-N 0 3 338.404 2.224 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474542 468867462 /nfs/dbraw/zinc/86/74/62/468867462.db2.gz WMHBRZPOLGJZKI-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595544160 468895366 /nfs/dbraw/zinc/89/53/66/468895366.db2.gz MPMLXECXTRUAJW-JKSUJKDBSA-N 0 3 343.358 2.435 20 5 EEBDHN CC(C)Oc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598571223 468918724 /nfs/dbraw/zinc/91/87/24/468918724.db2.gz HZDSSVJEGIIFKI-CQSZACIVSA-N 0 3 335.404 2.452 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598575760 468920401 /nfs/dbraw/zinc/92/04/01/468920401.db2.gz WVVZCVPGSJEUQJ-OAHLLOKOSA-N 0 3 337.395 2.468 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2cccc(N3CCOCC3)n2)cc1 ZINC000602618145 468969162 /nfs/dbraw/zinc/96/91/62/468969162.db2.gz DFLJICPFOLRSOW-UHFFFAOYSA-N 0 3 342.399 2.159 20 5 EEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000602684235 469010249 /nfs/dbraw/zinc/01/02/49/469010249.db2.gz NIFRQJPXDPKHCW-HNNXBMFYSA-N 0 3 341.411 2.474 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCN(C)Cc1ccco1 ZINC000602830747 469103958 /nfs/dbraw/zinc/10/39/58/469103958.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 0 3 335.408 2.147 20 5 EEBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596172382 469185346 /nfs/dbraw/zinc/18/53/46/469185346.db2.gz VZDXFQAGCKKQAB-LBPRGKRZSA-N 0 3 342.403 2.605 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CO)c3ccccc3)CC2)cn1 ZINC000602547914 469356746 /nfs/dbraw/zinc/35/67/46/469356746.db2.gz UYFKHEUORJVSKD-KRWDZBQOSA-N 0 3 342.399 2.282 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCCN(C)Cc1ccncc1 ZINC000603398594 469377424 /nfs/dbraw/zinc/37/74/24/469377424.db2.gz BEXUMQKDYWZZOP-UHFFFAOYSA-N 0 3 346.435 2.473 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](N2CCCC2)C1 ZINC000608905839 469885731 /nfs/dbraw/zinc/88/57/31/469885731.db2.gz KVJYDJIDUPHEOW-INIZCTEOSA-N 0 3 342.399 2.246 20 5 EEBDHN O=[N+]([O-])c1ncccc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000610160516 469985084 /nfs/dbraw/zinc/98/50/84/469985084.db2.gz UQCQLQKULKQJPP-KRWDZBQOSA-N 0 3 328.372 2.039 20 5 EEBDHN CCCN(CC)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189901121 527978933 /nfs/dbraw/zinc/97/89/33/527978933.db2.gz SADUGQRTFPIQCX-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183912880 528989148 /nfs/dbraw/zinc/98/91/48/528989148.db2.gz HDXWDGKNMNLJJL-AWEZNQCLSA-N 0 3 345.403 2.204 20 5 EEBDHN COC1CCC(N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000265167857 536731629 /nfs/dbraw/zinc/73/16/29/536731629.db2.gz AQNJGGAWSIVQEE-UHFFFAOYSA-N 0 3 347.415 2.373 20 5 EEBDHN COc1cc(CN2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000425357882 536759911 /nfs/dbraw/zinc/75/99/11/536759911.db2.gz PODIEGZFNNYUOB-SWLSCSKDSA-N 0 3 335.404 2.138 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772036 536798815 /nfs/dbraw/zinc/79/88/15/536798815.db2.gz RUCJHARQCLVMER-NILFDRSVSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@H](N[C@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804118 577231114 /nfs/dbraw/zinc/23/11/14/577231114.db2.gz QMLNSXLHDLQBFY-TVQRCGJNSA-N 0 3 341.795 2.326 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC000813100214 1201096267 /nfs/dbraw/zinc/09/62/67/1201096267.db2.gz PIHFDIIWFUJZGV-ZETCQYMHSA-N 0 3 342.714 2.190 20 5 EEBDHN CC(C)c1ccc(N2CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813113548 1201125002 /nfs/dbraw/zinc/12/50/02/1201125002.db2.gz RLAWAHWFQYDBCD-IUODEOHRSA-N 0 3 334.372 2.371 20 5 EEBDHN COc1ccc(CN(CCO)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000880570109 1201525419 /nfs/dbraw/zinc/52/54/19/1201525419.db2.gz PCGYNZRPNJWOML-UHFFFAOYSA-N 0 3 346.383 2.477 20 5 EEBDHN CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000882200406 1201830154 /nfs/dbraw/zinc/83/01/54/1201830154.db2.gz HYTLAXGVTZXDAZ-NEPJUHHUSA-N 0 3 326.397 2.145 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000935114759 1208097530 /nfs/dbraw/zinc/09/75/30/1208097530.db2.gz SUTIAFLPJRCQRV-LVQVYYBASA-N 0 3 349.456 2.202 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097231196 1243856924 /nfs/dbraw/zinc/85/69/24/1243856924.db2.gz UFCCYWOZRPDNOO-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN CCCN(CCNC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001101194780 1245505558 /nfs/dbraw/zinc/50/55/58/1245505558.db2.gz FYTWDGUSPPGNLO-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CSCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001233672557 1304553649 /nfs/dbraw/zinc/55/36/49/1304553649.db2.gz YXOSWGNUFLOJEU-UHFFFAOYSA-N 0 3 325.434 2.286 20 5 EEBDHN Cc1ccc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001233916026 1304639160 /nfs/dbraw/zinc/63/91/60/1304639160.db2.gz KVSHWLDLORBMDP-UHFFFAOYSA-N 0 3 344.415 2.494 20 5 EEBDHN N[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001118261600 1306327648 /nfs/dbraw/zinc/32/76/48/1306327648.db2.gz ZISBBDBYUFVUHF-KRWDZBQOSA-N 0 3 346.431 2.151 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC001150158202 1316181689 /nfs/dbraw/zinc/18/16/89/1316181689.db2.gz IPRZZWIYUGRIDF-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN Cc1cncnc1O[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606114 1318142297 /nfs/dbraw/zinc/14/22/97/1318142297.db2.gz DZJCDSOXCZJPFC-DLBZAZTESA-N 0 3 340.383 2.314 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H](Oc3cnccn3)C1)C2 ZINC001254612468 1318145482 /nfs/dbraw/zinc/14/54/82/1318145482.db2.gz WPAXIFPNGVVCJX-JKSUJKDBSA-N 0 3 326.356 2.005 20 5 EEBDHN Cc1cnc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254611787 1318146276 /nfs/dbraw/zinc/14/62/76/1318146276.db2.gz SYNNBRQPBCROPI-SJORKVTESA-N 0 3 340.383 2.314 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2Cc3ccccc3CN2)c([N+](=O)[O-])c1 ZINC001163272423 1321083620 /nfs/dbraw/zinc/08/36/20/1321083620.db2.gz QMSLAVQUBPBEJW-LBPRGKRZSA-N 0 3 329.316 2.024 20 5 EEBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001163583486 1321163560 /nfs/dbraw/zinc/16/35/60/1321163560.db2.gz XCIAMSJOPIKTSW-UHFFFAOYSA-N 0 3 349.416 2.069 20 5 EEBDHN O=[N+]([O-])c1cc(-c2ccc(-n3ncc4c3CCNC4)nn2)ccc1F ZINC001165222658 1321477139 /nfs/dbraw/zinc/47/71/39/1321477139.db2.gz GTXSMABQOCSOPS-UHFFFAOYSA-N 0 3 340.318 2.022 20 5 EEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC001318540545 1332557545 /nfs/dbraw/zinc/55/75/45/1332557545.db2.gz KNVYAWXVTYFWAC-HIFRSBDPSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001609602169 1352031554 /nfs/dbraw/zinc/03/15/54/1352031554.db2.gz PAOBIRJRJQKNHP-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001609602169 1352031557 /nfs/dbraw/zinc/03/15/57/1352031557.db2.gz PAOBIRJRJQKNHP-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001609602169 1352031560 /nfs/dbraw/zinc/03/15/60/1352031560.db2.gz PAOBIRJRJQKNHP-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001609602169 1352031552 /nfs/dbraw/zinc/03/15/52/1352031552.db2.gz PAOBIRJRJQKNHP-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1=CCN(C)CC1 ZINC001337505124 1336709314 /nfs/dbraw/zinc/70/93/14/1336709314.db2.gz ZWKLNJBKDSSXSW-GFCCVEGCSA-N 0 3 330.388 2.270 20 5 EEBDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001340969742 1337271005 /nfs/dbraw/zinc/27/10/05/1337271005.db2.gz YZXQALJFBCWKMZ-LLVKDONJSA-N 0 3 344.209 2.347 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC001343251531 1337331449 /nfs/dbraw/zinc/33/14/49/1337331449.db2.gz OGPFFCIZDZPHAV-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN C[NH+](C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968026 1344324971 /nfs/dbraw/zinc/32/49/71/1344324971.db2.gz CONRGIDLKZHJRW-KBPBESRZSA-N 0 3 343.391 2.060 20 5 EEBDHN C[NH+](C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968026 1344324972 /nfs/dbraw/zinc/32/49/72/1344324972.db2.gz CONRGIDLKZHJRW-KBPBESRZSA-N 0 3 343.391 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589134239 1348963129 /nfs/dbraw/zinc/96/31/29/1348963129.db2.gz LNOKAUHACWIJOL-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589134239 1348963133 /nfs/dbraw/zinc/96/31/33/1348963133.db2.gz LNOKAUHACWIJOL-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589134239 1348963135 /nfs/dbraw/zinc/96/31/35/1348963135.db2.gz LNOKAUHACWIJOL-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589134239 1348963138 /nfs/dbraw/zinc/96/31/38/1348963138.db2.gz LNOKAUHACWIJOL-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590624687 1349378935 /nfs/dbraw/zinc/37/89/35/1349378935.db2.gz VOYFITKAKMOJHZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590624687 1349378939 /nfs/dbraw/zinc/37/89/39/1349378939.db2.gz VOYFITKAKMOJHZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN C[NH+]1CCC(C)(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001604849165 1351018987 /nfs/dbraw/zinc/01/89/87/1351018987.db2.gz CHXGXTGKBOGVFF-UHFFFAOYSA-N 0 3 349.370 2.058 20 5 EEBDHN C[NH+]1CCC(C)(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001604849165 1351018991 /nfs/dbraw/zinc/01/89/91/1351018991.db2.gz CHXGXTGKBOGVFF-UHFFFAOYSA-N 0 3 349.370 2.058 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722849 1351217901 /nfs/dbraw/zinc/21/79/01/1351217901.db2.gz COVCLEXSBKLKOC-OCCSQVGLSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722849 1351217905 /nfs/dbraw/zinc/21/79/05/1351217905.db2.gz COVCLEXSBKLKOC-OCCSQVGLSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722849 1351217909 /nfs/dbraw/zinc/21/79/09/1351217909.db2.gz COVCLEXSBKLKOC-OCCSQVGLSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722849 1351217912 /nfs/dbraw/zinc/21/79/12/1351217912.db2.gz COVCLEXSBKLKOC-OCCSQVGLSA-N 0 3 343.391 2.122 20 5 EEBDHN CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091350142 790345276 /nfs/dbraw/zinc/34/52/76/790345276.db2.gz GPOFSTUECQMKAN-OTVXOJSOSA-N 0 3 334.420 2.242 20 5 EEBDHN CCN(CC)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127653980 777631594 /nfs/dbraw/zinc/63/15/94/777631594.db2.gz DVCXGCWPOJVJIB-UHFFFAOYSA-N 0 3 346.431 2.189 20 5 EEBDHN C[C@@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000921533147 789069836 /nfs/dbraw/zinc/06/98/36/789069836.db2.gz KVUVMLGWIQADRG-NSHDSACASA-N 0 3 345.346 2.007 20 5 EEBDHN CC([C@@H](OC(=O)C[C@H]1COC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845873337 789971366 /nfs/dbraw/zinc/97/13/66/789971366.db2.gz CNLSJKPLZHKTFT-HFBDOXOYSA-N 0 3 325.292 2.028 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ccncn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875656 789971867 /nfs/dbraw/zinc/97/18/67/789971867.db2.gz AXXSQDGINMRLDB-MEDUHNTESA-N 0 3 333.319 2.498 20 5 EEBDHN Cc1noc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878154 789972683 /nfs/dbraw/zinc/97/26/83/789972683.db2.gz REJXUVFRZNSPHK-VFZGTOFNSA-N 0 3 337.307 2.399 20 5 EEBDHN CC([C@@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880346 789973170 /nfs/dbraw/zinc/97/31/70/789973170.db2.gz ZUFQOMZCAIQDEK-ZUZCIYMTSA-N 0 3 334.303 2.088 20 5 EEBDHN CN(CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC001094141385 795992196 /nfs/dbraw/zinc/99/21/96/795992196.db2.gz TXRMVPLHPWMAHP-UHFFFAOYSA-N 0 3 340.399 2.240 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCOC[C@@H]2F)c1F ZINC001173177351 797277164 /nfs/dbraw/zinc/27/71/64/797277164.db2.gz AZWQQSIRDGJJBL-ADEWGFFLSA-N 0 3 330.331 2.390 20 5 EEBDHN Cc1cc(NC2CCN(C(=O)CN(C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001095228513 797551751 /nfs/dbraw/zinc/55/17/51/797551751.db2.gz KLMDMIBUKPFPGC-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)Cc1ccccc1 ZINC000791335917 809185051 /nfs/dbraw/zinc/18/50/51/809185051.db2.gz JXQQMALKAGEOAO-UHFFFAOYSA-N 0 3 346.362 2.178 20 5 EEBDHN C[C@H](C[C@@H]1COCCN1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087510 240358465 /nfs/dbraw/zinc/35/84/65/240358465.db2.gz OIFNCSDQKOEBLW-ZWNOBZJWSA-N 0 3 347.337 2.470 20 5 EEBDHN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000262271208 201202606 /nfs/dbraw/zinc/20/26/06/201202606.db2.gz SNSSDYQIYKPVDH-DLBZAZTESA-N 0 3 325.368 2.470 20 5 EEBDHN CN1CC=C(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000273948145 201263895 /nfs/dbraw/zinc/26/38/95/201263895.db2.gz MLXILGLUSMTOIS-UHFFFAOYSA-N 0 3 327.182 2.426 20 5 EEBDHN O=C(CCN1CCN(C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045768854 202556620 /nfs/dbraw/zinc/55/66/20/202556620.db2.gz XAFZCRKCZQJYJX-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193288301 240089573 /nfs/dbraw/zinc/08/95/73/240089573.db2.gz VCSCFLFUVJCTSQ-HNNXBMFYSA-N 0 3 343.449 2.253 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@H]2CCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000426782304 241338798 /nfs/dbraw/zinc/33/87/98/241338798.db2.gz GDTRKSDPLGBJFW-MRXNPFEDSA-N 0 3 346.431 2.448 20 5 EEBDHN COc1ncccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542062 242287177 /nfs/dbraw/zinc/28/71/77/242287177.db2.gz NWMPROWZSIYKLN-ZIAGYGMSSA-N 0 3 331.376 2.468 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499065 243136307 /nfs/dbraw/zinc/13/63/07/243136307.db2.gz LELXHMUTIPPOBM-KNXALSJPSA-N 0 3 335.404 2.491 20 5 EEBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451637247 243185948 /nfs/dbraw/zinc/18/59/48/243185948.db2.gz XIWZQEHMQHKDHU-CORIIIEPSA-N 0 3 343.387 2.342 20 5 EEBDHN CC1(C)Cc2ccsc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459587244 245178776 /nfs/dbraw/zinc/17/87/76/245178776.db2.gz UZODBUVUUMWRDE-ZDUSSCGKSA-N 0 3 336.417 2.051 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)cc1SC ZINC000104184369 204100650 /nfs/dbraw/zinc/10/06/50/204100650.db2.gz GLHAXCWHKRYGSA-SNVBAGLBSA-N 0 3 339.417 2.007 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)C3CCCCC3)C2)nc1 ZINC000249081514 206341386 /nfs/dbraw/zinc/34/13/86/206341386.db2.gz MQPIDYZANFTPCS-GOEBONIOSA-N 0 3 334.420 2.417 20 5 EEBDHN C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000249086900 206343440 /nfs/dbraw/zinc/34/34/40/206343440.db2.gz SIKYZTXDEYPARA-GXTWGEPZSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249102297 206348126 /nfs/dbraw/zinc/34/81/26/206348126.db2.gz FHWAIKICZGWFIX-GDBMZVCRSA-N 0 3 347.415 2.227 20 5 EEBDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521109 248342824 /nfs/dbraw/zinc/34/28/24/248342824.db2.gz CPNGUUVVCUEBIG-XHDPSFHLSA-N 0 3 338.795 2.499 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000174678969 207045257 /nfs/dbraw/zinc/04/52/57/207045257.db2.gz DEPVXJGKISCDGZ-GXTWGEPZSA-N 0 3 337.807 2.486 20 5 EEBDHN CC(C)OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802826 207061617 /nfs/dbraw/zinc/06/16/17/207061617.db2.gz RGCPNKXQTAWCNJ-HNNXBMFYSA-N 0 3 338.404 2.224 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000267056607 256022647 /nfs/dbraw/zinc/02/26/47/256022647.db2.gz HRDPIXBZGONAEK-UHFFFAOYSA-N 0 3 338.371 2.457 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267077330 256024647 /nfs/dbraw/zinc/02/46/47/256024647.db2.gz OZBOUOBHJPHDKU-UHFFFAOYSA-N 0 3 342.359 2.260 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000267512065 256065329 /nfs/dbraw/zinc/06/53/29/256065329.db2.gz MCAIDWBWYKFAGY-OCCSQVGLSA-N 0 3 342.403 2.432 20 5 EEBDHN O=C(CN(CC1CC1)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115564194 152031322 /nfs/dbraw/zinc/03/13/22/152031322.db2.gz QEDVCJGAENVYCF-UHFFFAOYSA-N 0 3 347.371 2.384 20 5 EEBDHN O=C(NCC1CC1)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387279 159011414 /nfs/dbraw/zinc/01/14/14/159011414.db2.gz XXMKVACTYBPURW-HNNXBMFYSA-N 0 3 347.415 2.212 20 5 EEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189789589 160149338 /nfs/dbraw/zinc/14/93/38/160149338.db2.gz MSKFTNCJPWJGII-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@]12CCOC2 ZINC000341930264 161025110 /nfs/dbraw/zinc/02/51/10/161025110.db2.gz CGPROSRQXCZXMM-QGZVFWFLSA-N 0 3 347.371 2.148 20 5 EEBDHN COc1cc(CN2CCC(N3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000351977697 162011392 /nfs/dbraw/zinc/01/13/92/162011392.db2.gz JNCGPBNBOOVFME-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000154554058 292524889 /nfs/dbraw/zinc/52/48/89/292524889.db2.gz QTEGJVMJAUAPJR-INIZCTEOSA-N 0 3 335.404 2.086 20 5 EEBDHN Cn1cc(CNCCN2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279920484 269316053 /nfs/dbraw/zinc/31/60/53/269316053.db2.gz XHSZSHGDXBTUJV-UHFFFAOYSA-N 0 3 341.415 2.347 20 5 EEBDHN CN(C)C(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183802517 274017292 /nfs/dbraw/zinc/01/72/92/274017292.db2.gz OSOLTWWRAFCXJI-UHFFFAOYSA-N 0 3 340.811 2.484 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191680345 274049947 /nfs/dbraw/zinc/04/99/47/274049947.db2.gz YTYYYEOCMSAHNV-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784922 274151505 /nfs/dbraw/zinc/15/15/05/274151505.db2.gz MGSQAWVSYBOHIM-SKDRFNHKSA-N 0 3 342.758 2.296 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274740042 274219623 /nfs/dbraw/zinc/21/96/23/274219623.db2.gz VLULSBZFVIQZTO-HZMBPMFUSA-N 0 3 331.376 2.048 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912593 274344160 /nfs/dbraw/zinc/34/41/60/274344160.db2.gz SPZMHFAXCHDMOI-IAQYHMDHSA-N 0 3 340.383 2.356 20 5 EEBDHN O=[N+]([O-])c1ccc(Cc2noc(C3CCN(C4CC4)CC3)n2)nc1 ZINC000290064739 275175793 /nfs/dbraw/zinc/17/57/93/275175793.db2.gz KRLXJEDKPWLKDS-UHFFFAOYSA-N 0 3 329.360 2.305 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000173336369 278744319 /nfs/dbraw/zinc/74/43/19/278744319.db2.gz XAKCGKBDEOIATN-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296051938 293880798 /nfs/dbraw/zinc/88/07/98/293880798.db2.gz FSQPAKVOHWRXBG-XYPHTWIQSA-N 0 3 345.399 2.389 20 5 EEBDHN COC(=O)Cc1ccc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000297026582 294133075 /nfs/dbraw/zinc/13/30/75/294133075.db2.gz HCIXGVXKFGVCGC-AWEZNQCLSA-N 0 3 335.404 2.088 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1N(C)C ZINC000331669042 311887931 /nfs/dbraw/zinc/88/79/31/311887931.db2.gz YKQOCNGPPMLKAJ-UONOGXRCSA-N 0 3 348.428 2.194 20 5 EEBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000332010482 311936103 /nfs/dbraw/zinc/93/61/03/311936103.db2.gz QNAXWTDPZWHQGS-CYBMUJFWSA-N 0 3 328.372 2.066 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000368531932 312424597 /nfs/dbraw/zinc/42/45/97/312424597.db2.gz ANGNBERZNRYXRH-NVXWUHKLSA-N 0 3 342.399 2.178 20 5 EEBDHN CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000412222876 312631599 /nfs/dbraw/zinc/63/15/99/312631599.db2.gz SNQOCOKNJVAVAF-FZKCQIBNSA-N 0 3 349.456 2.202 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621263 315088689 /nfs/dbraw/zinc/08/86/89/315088689.db2.gz CAPPDZGSJCTVFI-SOUVJXGZSA-N 0 3 333.388 2.103 20 5 EEBDHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000496858361 316302371 /nfs/dbraw/zinc/30/23/71/316302371.db2.gz XAGCFJLQKADYTC-OCCSQVGLSA-N 0 3 338.360 2.146 20 5 EEBDHN CN(C)c1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517733127 316686247 /nfs/dbraw/zinc/68/62/47/316686247.db2.gz YOXYXWYAEDQNAE-KRWDZBQOSA-N 0 3 345.399 2.190 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000539041420 318050765 /nfs/dbraw/zinc/05/07/65/318050765.db2.gz NCUWAJMYTDRWHG-RYUDHWBXSA-N 0 3 346.474 2.488 20 5 EEBDHN C[C@H]1C[C@H](C)CN(CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839260 320209577 /nfs/dbraw/zinc/20/95/77/320209577.db2.gz WQBATVUBJYQOKR-RYUDHWBXSA-N 0 3 331.372 2.169 20 5 EEBDHN COc1cc(C)cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578740623 323695777 /nfs/dbraw/zinc/69/57/77/323695777.db2.gz PLDYYLXRBCXULX-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN CS(=O)(=O)CC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580903738 324150455 /nfs/dbraw/zinc/15/04/55/324150455.db2.gz XAOITWWPDKGBMA-CQSZACIVSA-N 0 3 338.429 2.387 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000341951592 465278082 /nfs/dbraw/zinc/27/80/82/465278082.db2.gz VORCAODOJPUNFH-GFCCVEGCSA-N 0 3 343.449 2.302 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000088250481 462619091 /nfs/dbraw/zinc/61/90/91/462619091.db2.gz HVVCUNNVEUNTNK-UHFFFAOYSA-N 0 3 347.371 2.157 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000064354039 462698543 /nfs/dbraw/zinc/69/85/43/462698543.db2.gz DDILSNIVAZKPOK-CQSZACIVSA-N 0 3 343.387 2.193 20 5 EEBDHN C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN1CCCC1 ZINC000089620223 462698978 /nfs/dbraw/zinc/69/89/78/462698978.db2.gz QCYUUSZZCUYJHW-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN COCC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117341475 462800077 /nfs/dbraw/zinc/80/00/77/462800077.db2.gz KEFRIFYOBXPNSR-UHFFFAOYSA-N 0 3 349.387 2.251 20 5 EEBDHN CN(CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919866 462809600 /nfs/dbraw/zinc/80/96/00/462809600.db2.gz CBWPLENEYGBEOD-UHFFFAOYSA-N 0 3 342.399 2.429 20 5 EEBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047673071 462813553 /nfs/dbraw/zinc/81/35/53/462813553.db2.gz MRRVVJNZHNRGMT-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](N2CCCC2)C1 ZINC000133878435 462980896 /nfs/dbraw/zinc/98/08/96/462980896.db2.gz PHMWPOBXSNQDOH-CYBMUJFWSA-N 0 3 340.383 2.453 20 5 EEBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000078674729 463139444 /nfs/dbraw/zinc/13/94/44/463139444.db2.gz NRUFUGPPQPPDGK-OAHLLOKOSA-N 0 3 329.404 2.287 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000078869523 463157057 /nfs/dbraw/zinc/15/70/57/463157057.db2.gz RUVCBHJIHXYGSJ-DOTOQJQBSA-N 0 3 342.399 2.285 20 5 EEBDHN CC(=O)c1ccc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000029619316 463265616 /nfs/dbraw/zinc/26/56/16/463265616.db2.gz XOIDXWJHMYJRSX-UHFFFAOYSA-N 0 3 334.420 2.237 20 5 EEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055298197 463306576 /nfs/dbraw/zinc/30/65/76/463306576.db2.gz SSTXCOVEBLKHKS-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN CNC(=O)c1ccc(N2CCC[C@@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459798 463340257 /nfs/dbraw/zinc/34/02/57/463340257.db2.gz BAUHFIQBHBDRIU-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC[C@@H](C)C1 ZINC000283432742 463883285 /nfs/dbraw/zinc/88/32/85/463883285.db2.gz JIQXJPGXBOIQMG-GHMZBOCLSA-N 0 3 338.383 2.166 20 5 EEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185850990 463890845 /nfs/dbraw/zinc/89/08/45/463890845.db2.gz KFKQERVGYBQKNO-CYBMUJFWSA-N 0 3 341.433 2.090 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000172414137 464075645 /nfs/dbraw/zinc/07/56/45/464075645.db2.gz HTJMHRODTNKVMM-UHFFFAOYSA-N 0 3 349.435 2.361 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000172414137 464075650 /nfs/dbraw/zinc/07/56/50/464075650.db2.gz HTJMHRODTNKVMM-UHFFFAOYSA-N 0 3 349.435 2.361 20 5 EEBDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682764 464171873 /nfs/dbraw/zinc/17/18/73/464171873.db2.gz VNHMHJRPDLJEKI-CJNGLKHVSA-N 0 3 348.403 2.290 20 5 EEBDHN COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1C ZINC000292267550 464179979 /nfs/dbraw/zinc/17/99/79/464179979.db2.gz PXIXUHAWKWLCOB-KRWDZBQOSA-N 0 3 333.388 2.080 20 5 EEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000284406968 464181221 /nfs/dbraw/zinc/18/12/21/464181221.db2.gz RDQJCHPUGHVJON-UHFFFAOYSA-N 0 3 344.209 2.347 20 5 EEBDHN CSC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276719 464181672 /nfs/dbraw/zinc/18/16/72/464181672.db2.gz BLODZKXLVMTDFR-ZFWWWQNUSA-N 0 3 340.445 2.410 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264544483 464367137 /nfs/dbraw/zinc/36/71/37/464367137.db2.gz BHLQMEGYICKDKX-HNNXBMFYSA-N 0 3 333.388 2.060 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000298701978 465476406 /nfs/dbraw/zinc/47/64/06/465476406.db2.gz SHPIFSGMSUSEKC-ZDUSSCGKSA-N 0 3 343.343 2.097 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189472430 464512503 /nfs/dbraw/zinc/51/25/03/464512503.db2.gz MNGZISAEHFMDFE-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN COc1cc(CNC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262678 464541822 /nfs/dbraw/zinc/54/18/22/464541822.db2.gz AVMOFLFAKGIYLU-SNVBAGLBSA-N 0 3 347.362 2.287 20 5 EEBDHN NC(=O)c1ccc(CN2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000265984055 464759262 /nfs/dbraw/zinc/75/92/62/464759262.db2.gz CGJNWDKJKKXOQX-UHFFFAOYSA-N 0 3 333.388 2.086 20 5 EEBDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994030 464767687 /nfs/dbraw/zinc/76/76/87/464767687.db2.gz FYULHEQVNVKPRA-GHMZBOCLSA-N 0 3 335.360 2.430 20 5 EEBDHN CCC(CC)(CCO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282366013 464789924 /nfs/dbraw/zinc/78/99/24/464789924.db2.gz DRDWXHZESUYMSN-UHFFFAOYSA-N 0 3 335.404 2.015 20 5 EEBDHN CN1CCN(CCNCc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282491726 464838211 /nfs/dbraw/zinc/83/82/11/464838211.db2.gz WBELZGYFSALTCG-UHFFFAOYSA-N 0 3 340.855 2.364 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934791 465398752 /nfs/dbraw/zinc/39/87/52/465398752.db2.gz OAGIZOWNWPYDAU-YGRLFVJLSA-N 0 3 328.372 2.289 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)CC1(C)C ZINC000330569924 465710206 /nfs/dbraw/zinc/71/02/06/465710206.db2.gz NKGHDXKTEBWINQ-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN COC(=O)COc1ccc(CNCCc2ccco2)cc1[N+](=O)[O-] ZINC000353208186 465716478 /nfs/dbraw/zinc/71/64/78/465716478.db2.gz KMZUKKNRHXBHSW-UHFFFAOYSA-N 0 3 334.328 2.072 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000338053782 465783981 /nfs/dbraw/zinc/78/39/81/465783981.db2.gz XJEUHJSYNCRUQN-DZGCQCFKSA-N 0 3 334.420 2.261 20 5 EEBDHN C[C@@H]1CN(C)C[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253819 465865813 /nfs/dbraw/zinc/86/58/13/465865813.db2.gz USKVEPOSFGAIBK-NEPJUHHUSA-N 0 3 331.376 2.298 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cc2cccnc2)CC1 ZINC000362643480 465905613 /nfs/dbraw/zinc/90/56/13/465905613.db2.gz WNIQJIANOJUKGZ-UHFFFAOYSA-N 0 3 342.399 2.106 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229213 466010929 /nfs/dbraw/zinc/01/09/29/466010929.db2.gz RROIBABDPILOCV-GRDNDAEWSA-N 0 3 331.416 2.326 20 5 EEBDHN COc1c(C(=O)N2CCC[C@@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000331523088 466122399 /nfs/dbraw/zinc/12/23/99/466122399.db2.gz ZJFIKBBGJNIDKV-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170807 466202884 /nfs/dbraw/zinc/20/28/84/466202884.db2.gz WGDLJERTFYRKJP-WMLDXEAASA-N 0 3 330.388 2.241 20 5 EEBDHN C[C@@H](O)[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241684 466266915 /nfs/dbraw/zinc/26/69/15/466266915.db2.gz SKTBMLIWQSDQQS-OCCSQVGLSA-N 0 3 349.387 2.128 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000304538303 466304228 /nfs/dbraw/zinc/30/42/28/466304228.db2.gz PYNWOXZLFIWZMF-QGZVFWFLSA-N 0 3 348.378 2.376 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068751 466366047 /nfs/dbraw/zinc/36/60/47/466366047.db2.gz OPIXADIXPKXTEF-TZMCWYRMSA-N 0 3 328.372 2.488 20 5 EEBDHN COc1c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332082380 466376693 /nfs/dbraw/zinc/37/66/93/466376693.db2.gz NZLHKWFOVGCWOG-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332082381 466376850 /nfs/dbraw/zinc/37/68/50/466376850.db2.gz NZLHKWFOVGCWOG-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccc(OCCN2CCCC2)cc1 ZINC000347318339 466560666 /nfs/dbraw/zinc/56/06/66/466560666.db2.gz ULNIIXNMRDKPKP-UHFFFAOYSA-N 0 3 345.403 2.415 20 5 EEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCC1(F)F ZINC000591668921 468500057 /nfs/dbraw/zinc/50/00/57/468500057.db2.gz KFFPAKOBCJHRCQ-AWEZNQCLSA-N 0 3 341.358 2.279 20 5 EEBDHN CO[C@](C)([C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972119 466952818 /nfs/dbraw/zinc/95/28/18/466952818.db2.gz PLFGNOCSNKKPHH-KZULUSFZSA-N 0 3 347.415 2.277 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCCN3C3CC3)c21 ZINC000433815217 467356222 /nfs/dbraw/zinc/35/62/22/467356222.db2.gz ZWWDHFGGFPEFJZ-ZDUSSCGKSA-N 0 3 327.388 2.967 20 5 EEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476804 467419929 /nfs/dbraw/zinc/41/99/29/467419929.db2.gz YVXRIGWXRSUTLO-NXEZZACHSA-N 0 3 347.824 2.044 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000431556690 467524780 /nfs/dbraw/zinc/52/47/80/467524780.db2.gz KRSYVJNWTVXHLU-CYBMUJFWSA-N 0 3 336.392 2.217 20 5 EEBDHN CNc1nc(C(=O)NCc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000454339142 467586153 /nfs/dbraw/zinc/58/61/53/467586153.db2.gz AXZVAIDPGMLFRP-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000449939118 467748040 /nfs/dbraw/zinc/74/80/40/467748040.db2.gz IDRHNMQJOXTJTD-GXTWGEPZSA-N 0 3 333.388 2.157 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H](O)CN1CCCCC1 ZINC000450256092 467809570 /nfs/dbraw/zinc/80/95/70/467809570.db2.gz FIKVJXZGIYWSQE-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN Cc1nc(NC[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450485959 467857799 /nfs/dbraw/zinc/85/77/99/467857799.db2.gz AOBBXVWOKTXFTG-OAHLLOKOSA-N 0 3 327.388 2.627 20 5 EEBDHN CC(COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N+](=O)[O-] ZINC000497271844 467915986 /nfs/dbraw/zinc/91/59/86/467915986.db2.gz LHRSJSMFCILLLN-TUAOUCFPSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000531311274 468043733 /nfs/dbraw/zinc/04/37/33/468043733.db2.gz HITKHQIJQKTPQB-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN COc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197838 468509568 /nfs/dbraw/zinc/50/95/68/468509568.db2.gz QPOIRESVUYXPIR-KBPBESRZSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595470856 468866233 /nfs/dbraw/zinc/86/62/33/468866233.db2.gz UAOSNNRQTLARAC-MRXNPFEDSA-N 0 3 349.431 2.160 20 5 EEBDHN COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128849 468881462 /nfs/dbraw/zinc/88/14/62/468881462.db2.gz KHGDYKITCLWPCZ-UONOGXRCSA-N 0 3 334.372 2.105 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718501 469020477 /nfs/dbraw/zinc/02/04/77/469020477.db2.gz IWAGNYRSLNSGRF-MRXNPFEDSA-N 0 3 349.431 2.160 20 5 EEBDHN CCOC(=O)CC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602798712 469083531 /nfs/dbraw/zinc/08/35/31/469083531.db2.gz GCTDAYJVBMJDAP-AWEZNQCLSA-N 0 3 338.408 2.155 20 5 EEBDHN C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC[C@H](C)C1 ZINC000587210556 469086694 /nfs/dbraw/zinc/08/66/94/469086694.db2.gz PNDWMJOJRHQXRZ-NWDGAFQWSA-N 0 3 345.403 2.776 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000573396778 469122434 /nfs/dbraw/zinc/12/24/34/469122434.db2.gz MHBZCYXOFOJMIN-QGZVFWFLSA-N 0 3 332.404 2.194 20 5 EEBDHN CC(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCCC1 ZINC000596070865 469139957 /nfs/dbraw/zinc/13/99/57/469139957.db2.gz UATIZNDSGCYNSI-OAHLLOKOSA-N 0 3 345.403 2.776 20 5 EEBDHN C[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483571 469477672 /nfs/dbraw/zinc/47/76/72/469477672.db2.gz DECYWPXXBHGFMG-DGCLKSJQSA-N 0 3 335.379 2.438 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCCN1C1CC1)OCCO2 ZINC000618068860 469886622 /nfs/dbraw/zinc/88/66/22/469886622.db2.gz LVXBUXPEAPCGJC-OAHLLOKOSA-N 0 3 347.415 2.473 20 5 EEBDHN CC(C)CN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609122335 469892494 /nfs/dbraw/zinc/89/24/94/469892494.db2.gz JRXFWAXYANEFTN-UHFFFAOYSA-N 0 3 335.404 2.140 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383477 469923350 /nfs/dbraw/zinc/92/33/50/469923350.db2.gz PIWFCXUBTSZGOK-OAHLLOKOSA-N 0 3 342.399 2.150 20 5 EEBDHN CNC(=O)c1ccc(N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000225813233 536430132 /nfs/dbraw/zinc/43/01/32/536430132.db2.gz DHBWBIHDFOPWBW-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CO[C@H](CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004430 577470856 /nfs/dbraw/zinc/47/08/56/577470856.db2.gz ACDBGWGSDBMTDC-BXKDBHETSA-N 0 3 349.309 2.479 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000742834235 577877111 /nfs/dbraw/zinc/87/71/11/577877111.db2.gz OJTRAYRLBHOSNX-MRXNPFEDSA-N 0 3 347.415 2.276 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C3CCCCC3)CC2)c1 ZINC000743265349 577882449 /nfs/dbraw/zinc/88/24/49/577882449.db2.gz VDFALQUYCLCDJD-QGZVFWFLSA-N 0 3 336.436 2.445 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2CN1 ZINC000891447862 676627724 /nfs/dbraw/zinc/62/77/24/676627724.db2.gz ZCTGOWGZPJKOMN-MRXNPFEDSA-N 0 3 340.383 2.109 20 5 EEBDHN C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892767263 683019472 /nfs/dbraw/zinc/01/94/72/683019472.db2.gz VQUBNELKNBXBNW-LZLYRXPVSA-N 0 3 329.400 2.299 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001059271977 683866117 /nfs/dbraw/zinc/86/61/17/683866117.db2.gz KZMPYMOFKFKSEL-XYPYZODXSA-N 0 3 347.350 2.067 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cnn(CC3CCC3)c2)c1 ZINC000905640825 1189841511 /nfs/dbraw/zinc/84/15/11/1189841511.db2.gz OUBSHQYDUAJFCD-KRWDZBQOSA-N 0 3 330.388 2.415 20 5 EEBDHN O=C(Cc1cccc(F)c1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134400303 1199533600 /nfs/dbraw/zinc/53/36/00/1199533600.db2.gz JJORHXHNJCMNIO-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN Cc1c(CC(=O)NC[C@@H]2Cc3ccccc3CN2)cccc1[N+](=O)[O-] ZINC000877340253 1199907506 /nfs/dbraw/zinc/90/75/06/1199907506.db2.gz HZASZKCQXXHFQS-KRWDZBQOSA-N 0 3 339.395 2.276 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[N+](=O)[O-] ZINC000813102114 1201096790 /nfs/dbraw/zinc/09/67/90/1201096790.db2.gz BJJXAVNSKHNFSD-MRVPVSSYSA-N 0 3 329.740 2.256 20 5 EEBDHN CC(COC(=O)c1occc1CN1C(=O)Cc2ccccc21)[N+](=O)[O-] ZINC000813113580 1201124771 /nfs/dbraw/zinc/12/47/71/1201124771.db2.gz GMPWFYRPWOQONZ-NSHDSACASA-N 0 3 344.323 2.191 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095567078 1205876927 /nfs/dbraw/zinc/87/69/27/1205876927.db2.gz PMRRPVCYYZHAAJ-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001097036721 1243603063 /nfs/dbraw/zinc/60/30/63/1243603063.db2.gz FIEQCMWIBRYIQZ-HDJSIYSDSA-N 0 3 334.420 2.303 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000827495945 1248225196 /nfs/dbraw/zinc/22/51/96/1248225196.db2.gz ATLMGARCBPZIBC-HUUCEWRRSA-N 0 3 328.372 2.418 20 5 EEBDHN CC(C)[C@@](C)(C[NH3+])[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765319 1293910648 /nfs/dbraw/zinc/91/06/48/1293910648.db2.gz PGJFAGGPNCLSSS-CYBMUJFWSA-N 0 3 331.319 2.056 20 5 EEBDHN CC(C)N(C)CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001230373824 1303181706 /nfs/dbraw/zinc/18/17/06/1303181706.db2.gz BJMZNOQHDGZKEE-UHFFFAOYSA-N 0 3 348.447 2.016 20 5 EEBDHN CO[C@@H]1CCN(CCOc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231334934 1303738419 /nfs/dbraw/zinc/73/84/19/1303738419.db2.gz LVJCGDQVCUXRIN-OAHLLOKOSA-N 0 3 340.379 2.392 20 5 EEBDHN CN(CCCNC(=O)c1ccnc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001235262215 1305170038 /nfs/dbraw/zinc/17/00/38/1305170038.db2.gz ZBITTYNZEWGKQQ-UHFFFAOYSA-N 0 3 346.362 2.381 20 5 EEBDHN CCc1[n-]nc(C(=O)OCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000837657834 1315100991 /nfs/dbraw/zinc/10/09/91/1315100991.db2.gz QSCSBWDAAMUSNV-UHFFFAOYSA-N 0 3 332.360 2.169 20 5 EEBDHN CCc1[n-]nc(C(=O)OCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000837657834 1315100995 /nfs/dbraw/zinc/10/09/95/1315100995.db2.gz QSCSBWDAAMUSNV-UHFFFAOYSA-N 0 3 332.360 2.169 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010846 1315453699 /nfs/dbraw/zinc/45/36/99/1315453699.db2.gz JHMDDOAAOHYWAU-GZMMTYOYSA-N 0 3 342.783 2.483 20 5 EEBDHN Cc1noc(C)c1CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150620166 1316320086 /nfs/dbraw/zinc/32/00/86/1316320086.db2.gz PAVLILJDCKOACN-UHFFFAOYSA-N 0 3 346.387 2.038 20 5 EEBDHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254546623 1318117397 /nfs/dbraw/zinc/11/73/97/1318117397.db2.gz HKBUCDCXBMCQKH-LBPRGKRZSA-N 0 3 329.356 2.497 20 5 EEBDHN CC(C)n1cnc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001163267958 1321082462 /nfs/dbraw/zinc/08/24/62/1321082462.db2.gz UEFWKIYLYGAUCM-UHFFFAOYSA-N 0 3 345.403 2.282 20 5 EEBDHN CC/C(C)=C\C(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001164447699 1321381192 /nfs/dbraw/zinc/38/11/92/1321381192.db2.gz MWFXVTYAQVNIRZ-LCYFTJDESA-N 0 3 349.435 2.061 20 5 EEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201572 1322442948 /nfs/dbraw/zinc/44/29/48/1322442948.db2.gz IDTAILHYRSUZGJ-MELADBBJSA-N 0 3 346.431 2.406 20 5 EEBDHN CC1CCN(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001318778009 1332594644 /nfs/dbraw/zinc/59/46/44/1332594644.db2.gz OJYXFWHKGISFRM-UHFFFAOYSA-N 0 3 332.404 2.352 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC001333502972 1336059894 /nfs/dbraw/zinc/05/98/94/1336059894.db2.gz SSWCAWCOMQMJTR-STQMWFEESA-N 0 3 342.396 2.243 20 5 EEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480932 1336382645 /nfs/dbraw/zinc/38/26/45/1336382645.db2.gz DBNCLHXAKWRWAQ-HFBAOOFYSA-N 0 3 334.372 2.356 20 5 EEBDHN Cc1cccnc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724199 1336585911 /nfs/dbraw/zinc/58/59/11/1336585911.db2.gz ZXIAOMBNPHTDGN-KGLIPLIRSA-N 0 3 331.372 2.389 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911026 1344074984 /nfs/dbraw/zinc/07/49/84/1344074984.db2.gz WSQHSPOPANAWEE-NOZJJQNGSA-N 0 3 334.376 2.004 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001593476226 1349809822 /nfs/dbraw/zinc/80/98/22/1349809822.db2.gz UJRBPUIKHMRAIR-UHFFFAOYSA-N 0 3 342.334 2.246 20 5 EEBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809861271 783427545 /nfs/dbraw/zinc/42/75/45/783427545.db2.gz XODBPHUFWFYHAW-JTQLQIEISA-N 0 3 349.840 2.255 20 5 EEBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809861271 783427547 /nfs/dbraw/zinc/42/75/47/783427547.db2.gz XODBPHUFWFYHAW-JTQLQIEISA-N 0 3 349.840 2.255 20 5 EEBDHN O=C(CN1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000820386084 785893470 /nfs/dbraw/zinc/89/34/70/785893470.db2.gz PPVFTYJMJHKGLH-UHFFFAOYSA-N 0 3 333.388 2.060 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107204748 786395525 /nfs/dbraw/zinc/39/55/25/786395525.db2.gz RNWXKRHYTZKNDK-WAYWQWQTSA-N 0 3 338.383 2.160 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1 ZINC000912767577 788353398 /nfs/dbraw/zinc/35/33/98/788353398.db2.gz MSPQRMOBQNRTGG-LLVKDONJSA-N 0 3 329.759 2.457 20 5 EEBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C)C1 ZINC000843987303 788768411 /nfs/dbraw/zinc/76/84/11/788768411.db2.gz CPUWSGLCMRUORV-LBPRGKRZSA-N 0 3 339.367 2.055 20 5 EEBDHN COc1cncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845877074 789972409 /nfs/dbraw/zinc/97/24/09/789972409.db2.gz DRPRZFOEERPOIB-OTYXRUKQSA-N 0 3 335.291 2.188 20 5 EEBDHN CCCc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001146289202 791164220 /nfs/dbraw/zinc/16/42/20/791164220.db2.gz TTWDMDPTUMPNIL-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1csc(Cl)n1 ZINC001146814263 791502054 /nfs/dbraw/zinc/50/20/54/791502054.db2.gz PKJAYTYMEMHJRL-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN Cc1nn(C(C)C)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147579382 791875373 /nfs/dbraw/zinc/87/53/73/791875373.db2.gz HLRMOPKKFMEMFL-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106777100 796509243 /nfs/dbraw/zinc/50/92/43/796509243.db2.gz KJBMLMPMPCRRQU-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)c2ccncc2)c1F ZINC001173182676 797280550 /nfs/dbraw/zinc/28/05/50/797280550.db2.gz JTMATQOVDHIJCR-BXUZGUMPSA-N 0 3 349.362 2.392 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110266550 801086339 /nfs/dbraw/zinc/08/63/39/801086339.db2.gz YMSCXACHXWNIRE-UHFFFAOYSA-N 0 3 334.420 2.386 20 5 EEBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047602 803593391 /nfs/dbraw/zinc/59/33/91/803593391.db2.gz RMELBBIRRWLWIP-CHWSQXEVSA-N 0 3 327.425 2.278 20 5 EEBDHN CCOC(=O)C1=C(Nc2cc(OC)c(C)c([N+](=O)[O-])c2)CCNC1 ZINC001170517620 812070130 /nfs/dbraw/zinc/07/01/30/812070130.db2.gz RASKXWJBTHDPFW-UHFFFAOYSA-N 0 3 335.360 2.134 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183611682 235164375 /nfs/dbraw/zinc/16/43/75/235164375.db2.gz QJIIWSAAFDBKDX-UHFFFAOYSA-N 0 3 333.348 2.179 20 5 EEBDHN N[C@@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000424071777 283608685 /nfs/dbraw/zinc/60/86/85/283608685.db2.gz FCTRGEFVYOEGDV-CQSZACIVSA-N 0 3 341.367 2.280 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c2c(c1)COCO2 ZINC000449558507 242562357 /nfs/dbraw/zinc/56/23/57/242562357.db2.gz WLLPUTFPXJUNIT-IGCXYCKISA-N 0 3 348.399 2.444 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127734740 205115498 /nfs/dbraw/zinc/11/54/98/205115498.db2.gz OSTKSPVVQWVOLU-UHFFFAOYSA-N 0 3 338.408 2.254 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000134015765 205388824 /nfs/dbraw/zinc/38/88/24/205388824.db2.gz MPDCTGYFURIQBA-TZMCWYRMSA-N 0 3 343.387 2.101 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000155937249 206045259 /nfs/dbraw/zinc/04/52/59/206045259.db2.gz LQNWXUYMZUHCPC-QGZVFWFLSA-N 0 3 330.388 2.064 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000156107534 206057077 /nfs/dbraw/zinc/05/70/77/206057077.db2.gz AHKJYAYGJQVXCC-WCQYABFASA-N 0 3 334.376 2.304 20 5 EEBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063640 248071924 /nfs/dbraw/zinc/07/19/24/248071924.db2.gz WJHNSPNSHIIXFG-IAGOWNOFSA-N 0 3 334.416 2.389 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103243 248098158 /nfs/dbraw/zinc/09/81/58/248098158.db2.gz SGYATZCGUONJGY-BZNIZROVSA-N 0 3 330.388 2.488 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176135339 207193723 /nfs/dbraw/zinc/19/37/23/207193723.db2.gz IRGIGIPRCJIEAI-RYUDHWBXSA-N 0 3 341.433 2.276 20 5 EEBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC000267072730 256024103 /nfs/dbraw/zinc/02/41/03/256024103.db2.gz IYHOYOILQSCTJA-CYBMUJFWSA-N 0 3 326.378 2.352 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccccc2F)C1 ZINC000270598096 256152278 /nfs/dbraw/zinc/15/22/78/256152278.db2.gz VRQOFUJARPIJLL-CYBMUJFWSA-N 0 3 331.347 2.385 20 5 EEBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146814 256212743 /nfs/dbraw/zinc/21/27/43/256212743.db2.gz RTWWLQAKDSMVHR-GDBMZVCRSA-N 0 3 349.431 2.266 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000272898169 256247869 /nfs/dbraw/zinc/24/78/69/256247869.db2.gz ZZCYECYOMTUESJ-ZDUSSCGKSA-N 0 3 332.360 2.081 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000341328258 292169108 /nfs/dbraw/zinc/16/91/08/292169108.db2.gz KHYRGUWZLBPSFW-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000377279087 154122913 /nfs/dbraw/zinc/12/29/13/154122913.db2.gz SQZBNVVNJSUNEZ-ZDUSSCGKSA-N 0 3 330.388 2.402 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927538 286567849 /nfs/dbraw/zinc/56/78/49/286567849.db2.gz SAUJMFOBZSJTGO-UONOGXRCSA-N 0 3 337.420 2.365 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000154981401 159694566 /nfs/dbraw/zinc/69/45/66/159694566.db2.gz MAXQKKYASQFNAK-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186782551 160083635 /nfs/dbraw/zinc/08/36/35/160083635.db2.gz HNLCGFONBUSCSK-UHFFFAOYSA-N 0 3 332.404 2.335 20 5 EEBDHN Cc1cccc(C(=O)NCCCNCc2cccnc2)c1[N+](=O)[O-] ZINC000237604578 160223101 /nfs/dbraw/zinc/22/31/01/160223101.db2.gz SBKMHKHPXZLZKI-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN COc1ccc(OCCN(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245556133 160242130 /nfs/dbraw/zinc/24/21/30/160242130.db2.gz UFKCVBIMXPIRJB-CZUORRHYSA-N 0 3 338.404 2.465 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCS(=O)(=O)C1 ZINC000342227105 161049115 /nfs/dbraw/zinc/04/91/15/161049115.db2.gz XUEWXTLFVQENNE-XETPBLJFSA-N 0 3 338.429 2.413 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000342721740 161085763 /nfs/dbraw/zinc/08/57/63/161085763.db2.gz IBIPBUDTJANAPB-YDHLFZDLSA-N 0 3 334.420 2.303 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1csc([N+](=O)[O-])c1 ZINC000355305365 163138697 /nfs/dbraw/zinc/13/86/97/163138697.db2.gz IGEBUKNWZBIZJE-AWEZNQCLSA-N 0 3 347.396 2.475 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1csc([N+](=O)[O-])c1 ZINC000355305369 163138930 /nfs/dbraw/zinc/13/89/30/163138930.db2.gz IGEBUKNWZBIZJE-CQSZACIVSA-N 0 3 347.396 2.475 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360451857 164314337 /nfs/dbraw/zinc/31/43/37/164314337.db2.gz LKOSEJSGRDLSHK-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN CCOC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815583 268580380 /nfs/dbraw/zinc/58/03/80/268580380.db2.gz HDBSRJYIZRAIMG-HOTGVXAUSA-N 0 3 335.404 2.351 20 5 EEBDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272715059 269012233 /nfs/dbraw/zinc/01/22/33/269012233.db2.gz WDLBHHRUTFXGHL-BBWFWOEESA-N 0 3 336.388 2.420 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272095207 274166001 /nfs/dbraw/zinc/16/60/01/274166001.db2.gz FJLOBVGKKUKLLK-UHFFFAOYSA-N 0 3 329.347 2.485 20 5 EEBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566443 274374411 /nfs/dbraw/zinc/37/44/11/274374411.db2.gz CYYMWNXMKAIBPA-SJKOYZFVSA-N 0 3 332.356 2.484 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000453359936 275037933 /nfs/dbraw/zinc/03/79/33/275037933.db2.gz UZOOLJDLIOIVTO-JZXOWHBKSA-N 0 3 331.416 2.425 20 5 EEBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)OCCO ZINC000288430569 275057603 /nfs/dbraw/zinc/05/76/03/275057603.db2.gz KTXPAHZTFLYGPB-UHFFFAOYSA-N 0 3 334.319 2.073 20 5 EEBDHN O=C(CCN1CC[C@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291148227 275275652 /nfs/dbraw/zinc/27/56/52/275275652.db2.gz AEARJICTJQIKID-ZDUSSCGKSA-N 0 3 329.360 2.067 20 5 EEBDHN CCN1CCC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291469259 275308403 /nfs/dbraw/zinc/30/84/03/275308403.db2.gz BXIJBLVGDDLFSX-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000044670854 276186926 /nfs/dbraw/zinc/18/69/26/276186926.db2.gz JSGBWOOEUYZDBE-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN CN1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344980750 277180394 /nfs/dbraw/zinc/18/03/94/277180394.db2.gz WLYGBNMQVPYTOJ-LSDHHAIUSA-N 0 3 325.796 2.153 20 5 EEBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C1CC1 ZINC000128349421 278198388 /nfs/dbraw/zinc/19/83/88/278198388.db2.gz YOMHECIDZARQFT-LLVKDONJSA-N 0 3 330.388 2.218 20 5 EEBDHN Cc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364602279 278923324 /nfs/dbraw/zinc/92/33/24/278923324.db2.gz AQOBIIQVGNWCDR-HZPDHXFCSA-N 0 3 332.448 2.365 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCc3c2cccc3O)c1 ZINC000296726140 294051102 /nfs/dbraw/zinc/05/11/02/294051102.db2.gz NSYWZULWNGFFJJ-SUMWQHHRSA-N 0 3 344.367 2.317 20 5 EEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000190997637 303498083 /nfs/dbraw/zinc/49/80/83/303498083.db2.gz SAEXARGIYLGYNK-AWEZNQCLSA-N 0 3 332.404 2.268 20 5 EEBDHN CCS[C@H]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859585 311347605 /nfs/dbraw/zinc/34/76/05/311347605.db2.gz KQOBHLSHKUVHIY-JSGCOSHPSA-N 0 3 325.434 2.363 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2CCN[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000417719809 313575647 /nfs/dbraw/zinc/57/56/47/313575647.db2.gz QPEXUPVJPVDEJW-UONOGXRCSA-N 0 3 349.435 2.097 20 5 EEBDHN CCN1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431570413 314643092 /nfs/dbraw/zinc/64/30/92/314643092.db2.gz KKPZMYFQUPPMAM-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN(CCO)[C@@H]2CCCSC2)c1 ZINC000439007928 315063232 /nfs/dbraw/zinc/06/32/32/315063232.db2.gz VYBRJHZYDAYMIN-CQSZACIVSA-N 0 3 326.418 2.164 20 5 EEBDHN CC[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000451850767 315456877 /nfs/dbraw/zinc/45/68/77/315456877.db2.gz XZALPVYOSYHLSG-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000531386514 317791629 /nfs/dbraw/zinc/79/16/29/317791629.db2.gz INXHBMARCHSVGS-UHFFFAOYSA-N 0 3 344.371 2.500 20 5 EEBDHN CNc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000535073443 317962549 /nfs/dbraw/zinc/96/25/49/317962549.db2.gz VNTOBGRQKINMBZ-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000549824749 318442415 /nfs/dbraw/zinc/44/24/15/318442415.db2.gz LQQSJSZTWKLYGX-LBPRGKRZSA-N 0 3 337.767 2.004 20 5 EEBDHN Cc1nc(C)c(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000562996062 318955155 /nfs/dbraw/zinc/95/51/55/318955155.db2.gz OFQZMWYCQPANLG-LBPRGKRZSA-N 0 3 337.401 2.198 20 5 EEBDHN CC(C)(C)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566107556 319245285 /nfs/dbraw/zinc/24/52/85/319245285.db2.gz NBGVDNAOCDTBMV-MRXNPFEDSA-N 0 3 332.404 2.240 20 5 EEBDHN COCCC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567711600 319409729 /nfs/dbraw/zinc/40/97/29/319409729.db2.gz JAPGKOLUTNNXKV-UHFFFAOYSA-N 0 3 344.433 2.021 20 5 EEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581429692 324252568 /nfs/dbraw/zinc/25/25/68/324252568.db2.gz XLQJWNBOGVCURV-HNNXBMFYSA-N 0 3 330.388 2.487 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209152 465117310 /nfs/dbraw/zinc/11/73/10/465117310.db2.gz FYVLKAQINXTQFV-HOCLYGCPSA-N 0 3 333.432 2.459 20 5 EEBDHN CCN(CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000087087285 462588520 /nfs/dbraw/zinc/58/85/20/462588520.db2.gz CDNKQZHEBFQZST-UHFFFAOYSA-N 0 3 332.404 2.147 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927825 462596028 /nfs/dbraw/zinc/59/60/28/462596028.db2.gz SAUJMFOBZSJTGO-KGLIPLIRSA-N 0 3 337.420 2.365 20 5 EEBDHN CCN(C)C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130558725 462763759 /nfs/dbraw/zinc/76/37/59/462763759.db2.gz GSDZXERDIXUDSS-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCOC2=O)c1 ZINC000090539845 462796074 /nfs/dbraw/zinc/79/60/74/462796074.db2.gz QIHDWZGQFQEDAU-GFCCVEGCSA-N 0 3 345.359 2.099 20 5 EEBDHN Nc1nc(N[C@H](CN2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000076267818 462831773 /nfs/dbraw/zinc/83/17/73/462831773.db2.gz DXQWMPNUYDNZJL-CYBMUJFWSA-N 0 3 328.376 2.216 20 5 EEBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157504368 463137529 /nfs/dbraw/zinc/13/75/29/463137529.db2.gz OBFDOSTXIOLKCC-AWEZNQCLSA-N 0 3 343.387 2.142 20 5 EEBDHN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000032727977 463389855 /nfs/dbraw/zinc/38/98/55/463389855.db2.gz FVHKGBAXTHJNOC-SFHVURJKSA-N 0 3 341.411 2.426 20 5 EEBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165760690 463646803 /nfs/dbraw/zinc/64/68/03/463646803.db2.gz VYPRWADKVULCKQ-UHFFFAOYSA-N 0 3 347.213 2.051 20 5 EEBDHN Cc1nc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000268427518 463739752 /nfs/dbraw/zinc/73/97/52/463739752.db2.gz AJPQETBTJGBTDI-MRXNPFEDSA-N 0 3 342.399 2.129 20 5 EEBDHN CCOc1cc(CN2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000276851597 463780799 /nfs/dbraw/zinc/78/07/99/463780799.db2.gz DSYIZWFOBQBWGE-GOEBONIOSA-N 0 3 339.461 2.471 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000283202467 463801478 /nfs/dbraw/zinc/80/14/78/463801478.db2.gz ZMRDZWUBICTNRQ-CYBMUJFWSA-N 0 3 335.404 2.455 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000492311169 468377939 /nfs/dbraw/zinc/37/79/39/468377939.db2.gz HHEUAVJOCOHVOO-PRQMKSPXSA-N 0 3 335.429 2.112 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287205726 463833562 /nfs/dbraw/zinc/83/35/62/463833562.db2.gz POKMXMPPGXMQIZ-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN Cn1c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000568754815 468382675 /nfs/dbraw/zinc/38/26/75/468382675.db2.gz SXBKIUSGZSRFJJ-GOSISDBHSA-N 0 3 342.399 2.328 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000287534189 463918659 /nfs/dbraw/zinc/91/86/59/463918659.db2.gz VSBYXVBWCSQCIF-UHFFFAOYSA-N 0 3 337.424 2.389 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000287534189 463918665 /nfs/dbraw/zinc/91/86/65/463918665.db2.gz VSBYXVBWCSQCIF-UHFFFAOYSA-N 0 3 337.424 2.389 20 5 EEBDHN C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000186086149 463934761 /nfs/dbraw/zinc/93/47/61/463934761.db2.gz USASTYKDRGKSKZ-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN CCCNC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269619501 464036189 /nfs/dbraw/zinc/03/61/89/464036189.db2.gz AHUCFJVHVZTWAK-MRXNPFEDSA-N 0 3 349.431 2.447 20 5 EEBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172468880 464088733 /nfs/dbraw/zinc/08/87/33/464088733.db2.gz CKXGHDXMRAXIBG-CYBMUJFWSA-N 0 3 349.412 2.224 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284245924 464123170 /nfs/dbraw/zinc/12/31/70/464123170.db2.gz CKMATQGDHXOXNE-SNVBAGLBSA-N 0 3 338.383 2.118 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264419941 464318729 /nfs/dbraw/zinc/31/87/29/464318729.db2.gz QXLLLQYHNPKGOV-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180674863 464367406 /nfs/dbraw/zinc/36/74/06/464367406.db2.gz DTDBNHRHZDNGQU-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN C[C@@H](O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870124 464410748 /nfs/dbraw/zinc/41/07/48/464410748.db2.gz WSLSPZKPBDRCIC-OCCSQVGLSA-N 0 3 330.388 2.198 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(CC2CCCCC2)CC1 ZINC000285047485 464437925 /nfs/dbraw/zinc/43/79/25/464437925.db2.gz HGUSWURPYRWDHM-UHFFFAOYSA-N 0 3 335.408 2.046 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOCCO)cs2)c1 ZINC000181222777 464460220 /nfs/dbraw/zinc/46/02/20/464460220.db2.gz DYAOUOHEBDJQIA-UHFFFAOYSA-N 0 3 337.401 2.207 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460848 464620584 /nfs/dbraw/zinc/62/05/84/464620584.db2.gz OMHIDUWOJBJADV-HEHGZKQESA-N 0 3 332.404 2.391 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000247460875 464681806 /nfs/dbraw/zinc/68/18/06/464681806.db2.gz QZYKWNFTUYJLRQ-ZIAGYGMSSA-N 0 3 335.404 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCCN(CCCO)C1 ZINC000295183575 464735763 /nfs/dbraw/zinc/73/57/63/464735763.db2.gz WEPFVWCVSONJIL-CQSZACIVSA-N 0 3 327.812 2.185 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599940631 468417928 /nfs/dbraw/zinc/41/79/28/468417928.db2.gz QBORPEICPDXCOH-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN CCOC(CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-])OCC ZINC000276284136 464876420 /nfs/dbraw/zinc/87/64/20/464876420.db2.gz YCVRPNMOFBRXEN-UHFFFAOYSA-N 0 3 342.392 2.491 20 5 EEBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183854209 464919710 /nfs/dbraw/zinc/91/97/10/464919710.db2.gz NVLIHNIWBKWQSN-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN C[C@@H](CO)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276427168 464928528 /nfs/dbraw/zinc/92/85/28/464928528.db2.gz JGFRLXORNWRQSO-ZDUSSCGKSA-N 0 3 335.404 2.183 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240474 464988879 /nfs/dbraw/zinc/98/88/79/464988879.db2.gz USSXWZUKSJLVMX-BMIGLBTASA-N 0 3 337.807 2.390 20 5 EEBDHN CNc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360938050 465646495 /nfs/dbraw/zinc/64/64/95/465646495.db2.gz QECFRFXSSXMVIG-LBPRGKRZSA-N 0 3 334.420 2.439 20 5 EEBDHN COc1ccc(CN[C@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110780 465646886 /nfs/dbraw/zinc/64/68/86/465646886.db2.gz MIKQBDHTADWOMO-BLLLJJGKSA-N 0 3 335.404 2.386 20 5 EEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000371303292 465701404 /nfs/dbraw/zinc/70/14/04/465701404.db2.gz NYXIGXYYRKUUAI-MAUKXSAKSA-N 0 3 332.448 2.053 20 5 EEBDHN COc1ccc(CN2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000330678196 465757594 /nfs/dbraw/zinc/75/75/94/465757594.db2.gz WCZSHQGYWBFTSH-DZGCQCFKSA-N 0 3 325.434 2.081 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344735082 465783887 /nfs/dbraw/zinc/78/38/87/465783887.db2.gz ZTHJRGPNWSMZGW-GFCCVEGCSA-N 0 3 349.435 2.388 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344735082 465783892 /nfs/dbraw/zinc/78/38/92/465783892.db2.gz ZTHJRGPNWSMZGW-GFCCVEGCSA-N 0 3 349.435 2.388 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000371517240 465851137 /nfs/dbraw/zinc/85/11/37/465851137.db2.gz NMSXETMXBHEUBR-KGLIPLIRSA-N 0 3 332.404 2.092 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346244064 466023660 /nfs/dbraw/zinc/02/36/60/466023660.db2.gz ULTBTOXDPACRSE-XJKCOSOUSA-N 0 3 347.415 2.406 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 ZINC000346264292 466039322 /nfs/dbraw/zinc/03/93/22/466039322.db2.gz CQMIZRAEGJASJU-INIZCTEOSA-N 0 3 335.429 2.241 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279198 466054636 /nfs/dbraw/zinc/05/46/36/466054636.db2.gz VENKWGRQLWVALA-OFQRWUPVSA-N 0 3 347.415 2.162 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000357861589 466270391 /nfs/dbraw/zinc/27/03/91/466270391.db2.gz IQCHKWKBDRSLBD-SWLSCSKDSA-N 0 3 345.403 2.058 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000338696234 466317489 /nfs/dbraw/zinc/31/74/89/466317489.db2.gz YEXLWEIRUWAARD-CQSZACIVSA-N 0 3 348.447 2.208 20 5 EEBDHN COc1cccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331975099 466330605 /nfs/dbraw/zinc/33/06/05/466330605.db2.gz SWYXFHLXMJSVBI-LBPRGKRZSA-N 0 3 333.388 2.350 20 5 EEBDHN COc1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332093963 466384791 /nfs/dbraw/zinc/38/47/91/466384791.db2.gz WNEZUCVZNFCEID-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000597236095 468491120 /nfs/dbraw/zinc/49/11/20/468491120.db2.gz NVVPODRXNDQJNA-FZKQIMNGSA-N 0 3 344.415 2.446 20 5 EEBDHN CCN1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332188834 466436124 /nfs/dbraw/zinc/43/61/24/466436124.db2.gz BVRTWTZZASBNQV-QWHCGFSZSA-N 0 3 335.404 2.376 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237556 466463788 /nfs/dbraw/zinc/46/37/88/466463788.db2.gz SXIDISQUPBUZOZ-MRXNPFEDSA-N 0 3 335.404 2.233 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN([C@@H](C)CO)CC1 ZINC000347289341 466539266 /nfs/dbraw/zinc/53/92/66/466539266.db2.gz QXXQUVJVTCYOMC-QZFKAFNDSA-N 0 3 333.432 2.387 20 5 EEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000314588750 466553870 /nfs/dbraw/zinc/55/38/70/466553870.db2.gz OPPSXVUIYIVCRM-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN CS(=O)(=O)c1cccc(N[C@H]2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000322579909 466633536 /nfs/dbraw/zinc/63/35/36/466633536.db2.gz RPPBVTNWXBQQRV-RYUDHWBXSA-N 0 3 339.417 2.037 20 5 EEBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CCN1C[C@@H](C)O ZINC000413129284 467175808 /nfs/dbraw/zinc/17/58/08/467175808.db2.gz LHLQBWRPTDAFPA-KGLIPLIRSA-N 0 3 344.415 2.424 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428718861 467261688 /nfs/dbraw/zinc/26/16/88/467261688.db2.gz NYSWTIROMMZDQL-BBRMVZONSA-N 0 3 335.379 2.219 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000449295236 467628673 /nfs/dbraw/zinc/62/86/73/467628673.db2.gz QUQZBGGXTOUXJQ-GFCCVEGCSA-N 0 3 326.418 2.083 20 5 EEBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449538102 467659749 /nfs/dbraw/zinc/65/97/49/467659749.db2.gz GZLDYVGVQYZRBX-MWLCHTKSSA-N 0 3 348.346 2.496 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449758457 467708922 /nfs/dbraw/zinc/70/89/22/467708922.db2.gz ZYEZPIQKWUFJHM-UHFFFAOYSA-N 0 3 334.464 2.409 20 5 EEBDHN Cc1nc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] ZINC000450451547 467851854 /nfs/dbraw/zinc/85/18/54/467851854.db2.gz HYBCDGUPBTVDNH-HOCLYGCPSA-N 0 3 342.403 2.217 20 5 EEBDHN O=C(CNc1sccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000590062563 468210246 /nfs/dbraw/zinc/21/02/46/468210246.db2.gz GIBXTWUYRNCIIF-UHFFFAOYSA-N 0 3 326.422 2.060 20 5 EEBDHN COc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197841 468509335 /nfs/dbraw/zinc/50/93/35/468509335.db2.gz QPOIRESVUYXPIR-ZIAGYGMSSA-N 0 3 333.388 2.350 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594420555 468580678 /nfs/dbraw/zinc/58/06/78/468580678.db2.gz WRMWTDJPGJLLRJ-CABCVRRESA-N 0 3 332.404 2.383 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn(CC(F)F)c2)cc1 ZINC000556819644 468582276 /nfs/dbraw/zinc/58/22/76/468582276.db2.gz NITPGMSVEYTYKZ-UHFFFAOYSA-N 0 3 326.303 2.225 20 5 EEBDHN C[C@@H](Cc1ccccn1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594519596 468613344 /nfs/dbraw/zinc/61/33/44/468613344.db2.gz WSXYQWUGMCZMLY-LBPRGKRZSA-N 0 3 329.356 2.482 20 5 EEBDHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700572 468644045 /nfs/dbraw/zinc/64/40/45/468644045.db2.gz NQJSBYJGLLQKMF-WFASDCNBSA-N 0 3 333.388 2.109 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CCO)C1CCOCC1 ZINC000595032603 468746113 /nfs/dbraw/zinc/74/61/13/468746113.db2.gz NTQWVEHKBLCERD-LRDDRELGSA-N 0 3 338.404 2.432 20 5 EEBDHN CCCN1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097594 468757800 /nfs/dbraw/zinc/75/78/00/468757800.db2.gz YUCIFEOVTWFSHO-WBVHZDCISA-N 0 3 343.431 2.492 20 5 EEBDHN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000560506815 468822705 /nfs/dbraw/zinc/82/27/05/468822705.db2.gz INKGVCAVGJOIJS-ZDUSSCGKSA-N 0 3 332.404 2.221 20 5 EEBDHN CN1CCN(CCCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000560814945 468847597 /nfs/dbraw/zinc/84/75/97/468847597.db2.gz WMDMHDOYOZHJLU-UHFFFAOYSA-N 0 3 343.431 2.583 20 5 EEBDHN C[C@H]1COCCN1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595496789 468875833 /nfs/dbraw/zinc/87/58/33/468875833.db2.gz IMSFWPOKRYZJDU-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000602779740 469069561 /nfs/dbraw/zinc/06/95/61/469069561.db2.gz NVYDOESDEYWEKM-KRWDZBQOSA-N 0 3 343.431 2.306 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CO)(c2ccccc2)CC1 ZINC000602841049 469111642 /nfs/dbraw/zinc/11/16/42/469111642.db2.gz QCORYBAZSKFFFR-UHFFFAOYSA-N 0 3 344.415 2.126 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2ccco2)cc1 ZINC000596066441 469136673 /nfs/dbraw/zinc/13/66/73/469136673.db2.gz PGBPMYUMIWBYBD-UHFFFAOYSA-N 0 3 338.385 2.184 20 5 EEBDHN CN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000602320161 469281679 /nfs/dbraw/zinc/28/16/79/469281679.db2.gz GTNGADYVVVKECW-OAHLLOKOSA-N 0 3 340.383 2.475 20 5 EEBDHN Cc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626205 469315470 /nfs/dbraw/zinc/31/54/70/469315470.db2.gz HWNCLOINLJHCAV-HNNXBMFYSA-N 0 3 348.403 2.278 20 5 EEBDHN CC(=O)NC1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446833703 534842058 /nfs/dbraw/zinc/84/20/58/534842058.db2.gz DNVDECKLWJJBAS-UHFFFAOYSA-N 0 3 331.376 2.008 20 5 EEBDHN CCN(CC)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561958 528114622 /nfs/dbraw/zinc/11/46/22/528114622.db2.gz PXEKRYDVGQWRDF-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN CC(C)N(Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266648254 535097568 /nfs/dbraw/zinc/09/75/68/535097568.db2.gz XYGUCOYVJVQJPK-MRXNPFEDSA-N 0 3 336.367 2.202 20 5 EEBDHN CN(C)CC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000280992362 537698480 /nfs/dbraw/zinc/69/84/80/537698480.db2.gz CMUAYZKOUXHTLG-UHFFFAOYSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731677892 577115974 /nfs/dbraw/zinc/11/59/74/577115974.db2.gz BJWZBHIMQJCXOR-OAHLLOKOSA-N 0 3 347.327 2.335 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000776590532 577463574 /nfs/dbraw/zinc/46/35/74/577463574.db2.gz HEFKPHSKALLHOK-XOKHGSTOSA-N 0 3 330.388 2.408 20 5 EEBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539712 577808340 /nfs/dbraw/zinc/80/83/40/577808340.db2.gz LQHVKQCWTRCQTG-SMDDNHRTSA-N 0 3 349.387 2.162 20 5 EEBDHN Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022013348 676583692 /nfs/dbraw/zinc/58/36/92/676583692.db2.gz IYNBJQLECARYQZ-GASCZTMLSA-N 0 3 342.399 2.292 20 5 EEBDHN COc1c([O-])ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891723002 676802615 /nfs/dbraw/zinc/80/26/15/676802615.db2.gz GPNNPEYFTFBJQF-CQSZACIVSA-N 0 3 335.404 2.369 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000892098547 677998056 /nfs/dbraw/zinc/99/80/56/677998056.db2.gz GVUVKDGQRQFQFB-ZDUSSCGKSA-N 0 3 335.404 2.227 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599293 691638289 /nfs/dbraw/zinc/63/82/89/691638289.db2.gz ARWCVQKHPACQAX-MRXNPFEDSA-N 0 3 328.372 2.210 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(CCCCO)CC3)c2c1 ZINC000865556388 1198274334 /nfs/dbraw/zinc/27/43/34/1198274334.db2.gz SFXPYKPEUCAPLB-UHFFFAOYSA-N 0 3 330.388 2.038 20 5 EEBDHN O=C(CC(F)(F)C(F)F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133883106 1199134952 /nfs/dbraw/zinc/13/49/52/1199134952.db2.gz IVOVMMQDXFJBAS-UHFFFAOYSA-N 0 3 337.273 2.091 20 5 EEBDHN Cc1c(CC(=O)NC[C@H]2Cc3ccccc3CN2)cccc1[N+](=O)[O-] ZINC000877340254 1199907093 /nfs/dbraw/zinc/90/70/93/1199907093.db2.gz HZASZKCQXXHFQS-QGZVFWFLSA-N 0 3 339.395 2.276 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100562 1201096327 /nfs/dbraw/zinc/09/63/27/1201096327.db2.gz UMHGMLLDVRPFCJ-GAJTVXKRSA-N 0 3 340.763 2.068 20 5 EEBDHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111821 1201123246 /nfs/dbraw/zinc/12/32/46/1201123246.db2.gz AHYSZLGHDXHCKU-VXGBXAGGSA-N 0 3 340.401 2.264 20 5 EEBDHN CN(C)C1(C(=O)NCCCN(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001095657636 1205904986 /nfs/dbraw/zinc/90/49/86/1205904986.db2.gz CMGJTYATCXTLQV-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001115144665 1284581003 /nfs/dbraw/zinc/58/10/03/1284581003.db2.gz DTGWDXYWYLWYDX-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000110998316 1292246177 /nfs/dbraw/zinc/24/61/77/1292246177.db2.gz DIGQNJIEAZQOAR-AWEZNQCLSA-N 0 3 334.420 2.265 20 5 EEBDHN Cc1nccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1[N+](=O)[O-] ZINC001214102089 1296299527 /nfs/dbraw/zinc/29/95/27/1296299527.db2.gz VMRGLGQHPRNNCU-UHFFFAOYSA-N 0 3 338.327 2.056 20 5 EEBDHN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CNCc3ccccc32)[nH]1 ZINC001218485324 1297677742 /nfs/dbraw/zinc/67/77/42/1297677742.db2.gz HQOHBPPPRDXPIH-OAHLLOKOSA-N 0 3 338.323 2.467 20 5 EEBDHN CC(C)N(C)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103432018 1302952453 /nfs/dbraw/zinc/95/24/53/1302952453.db2.gz LFZDRYZYTGOOEX-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112092282 1304226835 /nfs/dbraw/zinc/22/68/35/1304226835.db2.gz RYLLVWMXMMGSEY-UHFFFAOYSA-N 0 3 336.436 2.221 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000843455541 1315918553 /nfs/dbraw/zinc/91/85/53/1315918553.db2.gz QQAUZRWNPFTQKM-RKDXNWHRSA-N 0 3 329.759 2.139 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cn1 ZINC001149512701 1315980382 /nfs/dbraw/zinc/98/03/82/1315980382.db2.gz FOMLVOOPJJHBIN-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN Cc1noc(C)c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154524676 1317181901 /nfs/dbraw/zinc/18/19/01/1317181901.db2.gz FXCCUVMMVCUZGD-UHFFFAOYSA-N 0 3 338.389 2.171 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCNC[C@@H]1c1cccs1 ZINC001156097030 1317874690 /nfs/dbraw/zinc/87/46/90/1317874690.db2.gz FMSAKHLOYQWBQY-SNVBAGLBSA-N 0 3 340.792 2.094 20 5 EEBDHN COc1cc(N2CCC(N3C=C(N)C=CC3)CC2)ccc1[N+](=O)[O-] ZINC001256102784 1318649253 /nfs/dbraw/zinc/64/92/53/1318649253.db2.gz RKIJVGQEAFJTEQ-UHFFFAOYSA-N 0 3 330.388 2.244 20 5 EEBDHN NCc1ccnn1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001162593127 1320907330 /nfs/dbraw/zinc/90/73/30/1320907330.db2.gz YEULRUHBIXXTDG-UHFFFAOYSA-N 0 3 325.328 2.213 20 5 EEBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC001165090001 1321452588 /nfs/dbraw/zinc/45/25/88/1321452588.db2.gz WXRXRSULMGBFHT-NVXWUHKLSA-N 0 3 339.399 2.404 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001609076279 1351831680 /nfs/dbraw/zinc/83/16/80/1351831680.db2.gz ZVTALSFKXAXBOA-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001609076279 1351831688 /nfs/dbraw/zinc/83/16/88/1351831688.db2.gz ZVTALSFKXAXBOA-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001609076279 1351831693 /nfs/dbraw/zinc/83/16/93/1351831693.db2.gz ZVTALSFKXAXBOA-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001609076279 1351831697 /nfs/dbraw/zinc/83/16/97/1351831697.db2.gz ZVTALSFKXAXBOA-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)[NH+](CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001609098404 1351843069 /nfs/dbraw/zinc/84/30/69/1351843069.db2.gz LCUKSFVUQZDFPS-UHFFFAOYSA-N 0 3 348.411 2.091 20 5 EEBDHN CC(C)[NH+](CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001609098404 1351843070 /nfs/dbraw/zinc/84/30/70/1351843070.db2.gz LCUKSFVUQZDFPS-UHFFFAOYSA-N 0 3 348.411 2.091 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001331680143 1335057588 /nfs/dbraw/zinc/05/75/88/1335057588.db2.gz MQRKZLBKRGPFJY-BXUZGUMPSA-N 0 3 330.388 2.245 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001336199050 1336498835 /nfs/dbraw/zinc/49/88/35/1336498835.db2.gz GMTXGXBPQKTVQV-MRXNPFEDSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1=CCN(C)CC1 ZINC001337505127 1336709424 /nfs/dbraw/zinc/70/94/24/1336709424.db2.gz ZWKLNJBKDSSXSW-LBPRGKRZSA-N 0 3 330.388 2.270 20 5 EEBDHN CCC[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001604218998 1350896467 /nfs/dbraw/zinc/89/64/67/1350896467.db2.gz BJMCFEBONDWNCW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(COC(=O)COc1cccc(NC(=O)c2ccco2)c1)[N+](=O)[O-] ZINC000813102596 1367762439 /nfs/dbraw/zinc/76/24/39/1367762439.db2.gz STWAXJOYCDHSSX-LLVKDONJSA-N 0 3 348.311 2.119 20 5 EEBDHN CCN1CCN(CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000853150027 1369321880 /nfs/dbraw/zinc/32/18/80/1369321880.db2.gz AJPXEHMROWOPLP-UHFFFAOYSA-N 0 3 330.791 2.437 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083311 785394629 /nfs/dbraw/zinc/39/46/29/785394629.db2.gz ZFRIRDLUGQBBKS-DOTOQJQBSA-N 0 3 328.372 2.394 20 5 EEBDHN CCc1n[nH]c(=O)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1CC ZINC000819164295 785440930 /nfs/dbraw/zinc/44/09/30/785440930.db2.gz WCBBIPJJWPRIPR-MRXNPFEDSA-N 0 3 346.387 2.038 20 5 EEBDHN CC1CCN(CC(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107300846 786765546 /nfs/dbraw/zinc/76/55/46/786765546.db2.gz YPDXNQJRUXSFEJ-NSCUHMNNSA-N 0 3 346.431 2.411 20 5 EEBDHN Cc1noc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878151 789972637 /nfs/dbraw/zinc/97/26/37/789972637.db2.gz REJXUVFRZNSPHK-RFAUZJTJSA-N 0 3 337.307 2.399 20 5 EEBDHN CC([C@H](OC(=O)CCc1ncccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845882289 789973912 /nfs/dbraw/zinc/97/39/12/789973912.db2.gz OEKLXECLQTXLFB-ZBEGNZNMSA-N 0 3 333.319 2.498 20 5 EEBDHN Cc1nc(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])cs1 ZINC001175521418 798144082 /nfs/dbraw/zinc/14/40/82/798144082.db2.gz NHHMSGPZCLKFDY-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000422720601 240192815 /nfs/dbraw/zinc/19/28/15/240192815.db2.gz ZTSXPWRLYLHQLX-UHFFFAOYSA-N 0 3 329.809 2.162 20 5 EEBDHN N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422930970 240296378 /nfs/dbraw/zinc/29/63/78/240296378.db2.gz AIBCPWFHEHBRRY-INIZCTEOSA-N 0 3 334.420 2.421 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747576 245235413 /nfs/dbraw/zinc/23/54/13/245235413.db2.gz GGHNCOAATVIMLC-HUUCEWRRSA-N 0 3 333.388 2.105 20 5 EEBDHN CCC[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000125898781 205031404 /nfs/dbraw/zinc/03/14/04/205031404.db2.gz TUCKVGXVUWNEAZ-LBPRGKRZSA-N 0 3 329.422 2.041 20 5 EEBDHN CN(C)C/C=C/C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266286338 248224642 /nfs/dbraw/zinc/22/46/42/248224642.db2.gz COIDEBHZAUJLGA-ONEGZZNKSA-N 0 3 333.388 2.082 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000266499848 248332421 /nfs/dbraw/zinc/33/24/21/248332421.db2.gz WVFKMTBGTGHKPC-CVEARBPZSA-N 0 3 334.351 2.128 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176135326 207194140 /nfs/dbraw/zinc/19/41/40/207194140.db2.gz IRGIGIPRCJIEAI-TXEJJXNPSA-N 0 3 341.433 2.276 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCSC1 ZINC000267154900 256032806 /nfs/dbraw/zinc/03/28/06/256032806.db2.gz XLNVCDMOFOTQHR-INIZCTEOSA-N 0 3 348.428 2.243 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137641 256211462 /nfs/dbraw/zinc/21/14/62/256211462.db2.gz NPWMZRNVXUKWDU-ZFWWWQNUSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1cc(CN2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306950 256372714 /nfs/dbraw/zinc/37/27/14/256372714.db2.gz LCJIYOXHVFJKML-DZGCQCFKSA-N 0 3 343.424 2.220 20 5 EEBDHN Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000068360136 292162239 /nfs/dbraw/zinc/16/22/39/292162239.db2.gz DMNXNBYEBLZHQV-JTQLQIEISA-N 0 3 342.359 2.042 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCS(=O)(=O)C1 ZINC000342227102 161048957 /nfs/dbraw/zinc/04/89/57/161048957.db2.gz XUEWXTLFVQENNE-JEMSNHSXSA-N 0 3 338.429 2.413 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(C2CC2)C1 ZINC000342649506 161080545 /nfs/dbraw/zinc/08/05/45/161080545.db2.gz GIVIJNPCKIZSNS-NSHDSACASA-N 0 3 338.795 2.284 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343446095 161137075 /nfs/dbraw/zinc/13/70/75/161137075.db2.gz LUXCDTFLHCPJHH-RISCZKNCSA-N 0 3 332.404 2.382 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344099383 161198281 /nfs/dbraw/zinc/19/82/81/161198281.db2.gz AZCQMXKTYSVMRF-BJJXKVORSA-N 0 3 335.379 2.471 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000344163430 161203716 /nfs/dbraw/zinc/20/37/16/161203716.db2.gz ZYLACBJBGNLGLA-UHFFFAOYSA-N 0 3 334.464 2.444 20 5 EEBDHN CO[C@@H]1C[C@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])N(C)C1 ZINC000345129596 161274502 /nfs/dbraw/zinc/27/45/02/161274502.db2.gz GRTBXYAJKIRVIV-VXGBXAGGSA-N 0 3 327.812 2.399 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000151853721 292480095 /nfs/dbraw/zinc/48/00/95/292480095.db2.gz APBTVISRWMTWSI-UHFFFAOYSA-N 0 3 325.434 2.486 20 5 EEBDHN CN(C)Cc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000359025971 164040495 /nfs/dbraw/zinc/04/04/95/164040495.db2.gz LKLYDLUCILZWNE-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN C[C@@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375700825 167178342 /nfs/dbraw/zinc/17/83/42/167178342.db2.gz JQFACSBHGUYEEK-GFCCVEGCSA-N 0 3 333.388 2.471 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000272655230 269004890 /nfs/dbraw/zinc/00/48/90/269004890.db2.gz GFEADAPGVKCSLA-AWEZNQCLSA-N 0 3 341.371 2.386 20 5 EEBDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272715065 269012081 /nfs/dbraw/zinc/01/20/81/269012081.db2.gz WDLBHHRUTFXGHL-GVDBMIGSSA-N 0 3 336.388 2.420 20 5 EEBDHN CCc1nn(C)c(NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000288160441 275030436 /nfs/dbraw/zinc/03/04/36/275030436.db2.gz PGHONLXEYOGURA-UHFFFAOYSA-N 0 3 347.419 2.443 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccncc21 ZINC000375777083 275036443 /nfs/dbraw/zinc/03/64/43/275036443.db2.gz PXBABRTVCFNWJN-ROUUACIJSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000291686213 275330063 /nfs/dbraw/zinc/33/00/63/275330063.db2.gz HDXBISFJGSPWGD-OAHLLOKOSA-N 0 3 343.387 2.375 20 5 EEBDHN CCN(CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000263789666 279205506 /nfs/dbraw/zinc/20/55/06/279205506.db2.gz XAEJKOADIXDWJB-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297618960 294297772 /nfs/dbraw/zinc/29/77/72/294297772.db2.gz BGSCPJSDZWJDQY-UHFFFAOYSA-N 0 3 347.375 2.004 20 5 EEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298702676 294564294 /nfs/dbraw/zinc/56/42/94/294564294.db2.gz HVWSUORTXOTNJI-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN CC(C)[C@H]1OCC[C@@H]1CN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332222275 311971800 /nfs/dbraw/zinc/97/18/00/311971800.db2.gz YPGQODQWXMZKIW-XOKHGSTOSA-N 0 3 347.415 2.351 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000332322028 311988753 /nfs/dbraw/zinc/98/87/53/311988753.db2.gz RPTUUHBOXHYNNW-INIZCTEOSA-N 0 3 346.431 2.402 20 5 EEBDHN CC(C)N(C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000350731306 312341443 /nfs/dbraw/zinc/34/14/43/312341443.db2.gz YBVIWTCMXFHWLF-UHFFFAOYSA-N 0 3 345.403 2.311 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000444628102 315312706 /nfs/dbraw/zinc/31/27/06/315312706.db2.gz GSNHKZOJTQYQIT-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN NC(=O)C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444670973 315315415 /nfs/dbraw/zinc/31/54/15/315315415.db2.gz HHGQOIJQKOQPHW-AWEZNQCLSA-N 0 3 345.403 2.385 20 5 EEBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000449145627 315423372 /nfs/dbraw/zinc/42/33/72/315423372.db2.gz YOXSOBLWHNEVEI-CYBMUJFWSA-N 0 3 341.433 2.041 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CSC[C@@H]1C ZINC000507272160 316376815 /nfs/dbraw/zinc/37/68/15/316376815.db2.gz KEMZERREXPUCKE-KWBADKCTSA-N 0 3 339.417 2.272 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000539295490 318053538 /nfs/dbraw/zinc/05/35/38/318053538.db2.gz OPYDIZXDXAFJBA-JGGQBBKZSA-N 0 3 335.404 2.190 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc2c(c1)COC2 ZINC000564852468 319118199 /nfs/dbraw/zinc/11/81/99/319118199.db2.gz LXUWWSJHACHVJF-INIZCTEOSA-N 0 3 344.367 2.155 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000565995329 319233383 /nfs/dbraw/zinc/23/33/83/319233383.db2.gz QWIDDNCSOIIKLQ-KRWDZBQOSA-N 0 3 332.404 2.222 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc3c(c2)COC3)c1 ZINC000583626024 324700316 /nfs/dbraw/zinc/70/03/16/324700316.db2.gz BPLJHDPRYZEEAS-KRWDZBQOSA-N 0 3 344.367 2.155 20 5 EEBDHN COCCOC1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000296444762 465197406 /nfs/dbraw/zinc/19/74/06/465197406.db2.gz MNKNCYCYMAQGDD-AWEZNQCLSA-N 0 3 338.404 2.458 20 5 EEBDHN Nc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1[N+](=O)[O-] ZINC000590571718 468276270 /nfs/dbraw/zinc/27/62/70/468276270.db2.gz WCCHBFJWMPURRT-HNNXBMFYSA-N 0 3 327.388 2.821 20 5 EEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000356429791 465375347 /nfs/dbraw/zinc/37/53/47/465375347.db2.gz QSDWOMRUUWQWRA-UHFFFAOYSA-N 0 3 349.435 2.057 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000351870394 465408530 /nfs/dbraw/zinc/40/85/30/465408530.db2.gz MFENGCFSAHZANG-UHFFFAOYSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000351870394 465408535 /nfs/dbraw/zinc/40/85/35/465408535.db2.gz MFENGCFSAHZANG-UHFFFAOYSA-N 0 3 335.408 2.142 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000045753668 462615360 /nfs/dbraw/zinc/61/53/60/462615360.db2.gz BJVBRIINSVHYDK-CQSZACIVSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089644489 462703287 /nfs/dbraw/zinc/70/32/87/462703287.db2.gz YVOJXAMJBZKJQQ-RDJZCZTQSA-N 0 3 342.399 2.346 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000047146125 462747813 /nfs/dbraw/zinc/74/78/13/462747813.db2.gz XLLDNNRYUYSTRJ-AWEZNQCLSA-N 0 3 334.420 2.245 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000154420049 462767252 /nfs/dbraw/zinc/76/72/52/462767252.db2.gz UPKCEMXOHVROJH-UHFFFAOYSA-N 0 3 339.392 2.026 20 5 EEBDHN COc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000552214900 468318578 /nfs/dbraw/zinc/31/85/78/468318578.db2.gz SVQVMAIVOHJNRO-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN CO[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117338825 462800803 /nfs/dbraw/zinc/80/08/03/462800803.db2.gz YMDZFYHWISDYOO-ZDUSSCGKSA-N 0 3 335.360 2.004 20 5 EEBDHN COCCCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119442542 462901697 /nfs/dbraw/zinc/90/16/97/462901697.db2.gz XFYPYCXJKPUQLF-UHFFFAOYSA-N 0 3 349.431 2.063 20 5 EEBDHN CCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717393 462934565 /nfs/dbraw/zinc/93/45/65/462934565.db2.gz FATFWVOGEXOCDD-GFCCVEGCSA-N 0 3 342.417 2.123 20 5 EEBDHN CC(C)CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049969359 462980948 /nfs/dbraw/zinc/98/09/48/462980948.db2.gz VCEDBDRLANCLMP-UHFFFAOYSA-N 0 3 345.403 2.418 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000026936713 463178146 /nfs/dbraw/zinc/17/81/46/463178146.db2.gz KKFHRRHSPSJIRW-UHFFFAOYSA-N 0 3 349.387 2.071 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110992655 463668435 /nfs/dbraw/zinc/66/84/35/463668435.db2.gz WATJJTQLXGYPOD-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000194729888 463916937 /nfs/dbraw/zinc/91/69/37/463916937.db2.gz UEVVBNDIAKBMBD-TZMCWYRMSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292333070 464198867 /nfs/dbraw/zinc/19/88/67/464198867.db2.gz JYKPWNWYXUYEHJ-AWEZNQCLSA-N 0 3 347.415 2.306 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978294 464217532 /nfs/dbraw/zinc/21/75/32/464217532.db2.gz DBCUIRNVXPPQGS-UKRRQHHQSA-N 0 3 336.388 2.476 20 5 EEBDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000292426199 464229357 /nfs/dbraw/zinc/22/93/57/464229357.db2.gz LQHIAZCKALSJOB-AWEZNQCLSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1nn(C)c(NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000180043320 464229714 /nfs/dbraw/zinc/22/97/14/464229714.db2.gz YBUWRDWZUHMGBV-UHFFFAOYSA-N 0 3 330.392 2.360 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](C)C1 ZINC000180454365 464314807 /nfs/dbraw/zinc/31/48/07/464314807.db2.gz XYJMZSRAZYRUGV-NEPJUHHUSA-N 0 3 349.387 2.174 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2=O)c1 ZINC000181395689 464483527 /nfs/dbraw/zinc/48/35/27/464483527.db2.gz KGDBUWPTSORPNL-ZDUSSCGKSA-N 0 3 343.387 2.269 20 5 EEBDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000281795936 464588767 /nfs/dbraw/zinc/58/87/67/464588767.db2.gz OMPUAVMOXNWYBL-UHFFFAOYSA-N 0 3 335.408 2.094 20 5 EEBDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000281795936 464588770 /nfs/dbraw/zinc/58/87/70/464588770.db2.gz OMPUAVMOXNWYBL-UHFFFAOYSA-N 0 3 335.408 2.094 20 5 EEBDHN COc1cc(CNC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484937 464626897 /nfs/dbraw/zinc/62/68/97/464626897.db2.gz TYRHGYFXYOBXBI-SNVBAGLBSA-N 0 3 346.330 2.373 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000176236658 464727604 /nfs/dbraw/zinc/72/76/04/464727604.db2.gz PNTKMUCVLINFNQ-QGZVFWFLSA-N 0 3 348.378 2.376 20 5 EEBDHN CN(C)CCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176385194 464761418 /nfs/dbraw/zinc/76/14/18/464761418.db2.gz HTRNOOWSBPRGTF-UHFFFAOYSA-N 0 3 334.401 2.352 20 5 EEBDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994044 464768279 /nfs/dbraw/zinc/76/82/79/464768279.db2.gz FYULHEQVNVKPRA-MNOVXSKESA-N 0 3 335.360 2.430 20 5 EEBDHN COCCOCCOCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276135949 464821430 /nfs/dbraw/zinc/82/14/30/464821430.db2.gz DISBRYQYHKUWHK-FNORWQNLSA-N 0 3 338.404 2.219 20 5 EEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000295433860 464831446 /nfs/dbraw/zinc/83/14/46/464831446.db2.gz VDAQEVUJLNYPNS-LBPRGKRZSA-N 0 3 347.415 2.468 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCc3ccccc3)CC2)c1 ZINC000266933076 464875989 /nfs/dbraw/zinc/87/59/89/464875989.db2.gz UFTZSSLTEUQNRE-UHFFFAOYSA-N 0 3 330.388 2.473 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239305 464987853 /nfs/dbraw/zinc/98/78/53/464987853.db2.gz UNPHWEFNTAXVTL-YMTOWFKASA-N 0 3 348.359 2.024 20 5 EEBDHN CCN(CCO)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000184548925 464994735 /nfs/dbraw/zinc/99/47/35/464994735.db2.gz PPGWNRWKCNMIQM-UHFFFAOYSA-N 0 3 333.388 2.259 20 5 EEBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C ZINC000298353628 465371947 /nfs/dbraw/zinc/37/19/47/465371947.db2.gz NUDCBBQYWICUHO-CQSZACIVSA-N 0 3 337.423 2.221 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000359098398 465375971 /nfs/dbraw/zinc/37/59/71/465375971.db2.gz SUWCAKZISOLINE-HNNXBMFYSA-N 0 3 347.463 2.211 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000359547301 465446684 /nfs/dbraw/zinc/44/66/84/465446684.db2.gz RTYMJFGUFQRAFH-OCCSQVGLSA-N 0 3 349.391 2.020 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000362362370 465680798 /nfs/dbraw/zinc/68/07/98/465680798.db2.gz MGBDZVHQTYRRIL-YOEHRIQHSA-N 0 3 336.388 2.421 20 5 EEBDHN CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)N(CC)CC ZINC000346210268 465993851 /nfs/dbraw/zinc/99/38/51/465993851.db2.gz ANJYDBLBNHTGCT-AWEZNQCLSA-N 0 3 337.376 2.440 20 5 EEBDHN CNc1c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216394 465999252 /nfs/dbraw/zinc/99/92/52/465999252.db2.gz INJDWGMKRACHCX-XJKCOSOUSA-N 0 3 346.431 2.439 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CC[C@@H](CO)O3)o2)c1 ZINC000353707327 466084658 /nfs/dbraw/zinc/08/46/58/466084658.db2.gz QGFVKFSMATWIIM-HOCLYGCPSA-N 0 3 332.356 2.484 20 5 EEBDHN CN1CCN(CCC(C)(C)Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302273596 466129807 /nfs/dbraw/zinc/12/98/07/466129807.db2.gz SKIXCMUCIGEMBP-UHFFFAOYSA-N 0 3 341.843 2.471 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591678357 468501343 /nfs/dbraw/zinc/50/13/43/468501343.db2.gz QHMSPNPUGKKDHN-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN COC1([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000412025226 466969185 /nfs/dbraw/zinc/96/91/85/466969185.db2.gz PLOYMHGTZBTXJS-LBPRGKRZSA-N 0 3 333.388 2.031 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417997902 467017334 /nfs/dbraw/zinc/01/73/34/467017334.db2.gz UQLDXGZXIYWWHW-WDEREUQCSA-N 0 3 340.811 2.183 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127155 467020038 /nfs/dbraw/zinc/02/00/38/467020038.db2.gz KWAUNEZJUDDUGU-KKBVYLPWSA-N 0 3 331.416 2.497 20 5 EEBDHN CCOC(=O)c1ccnc(NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000450952668 467213721 /nfs/dbraw/zinc/21/37/21/467213721.db2.gz VBOJCJCMLXUSJT-UHFFFAOYSA-N 0 3 336.392 2.453 20 5 EEBDHN CCOC(=O)c1cc(N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000433721246 467348962 /nfs/dbraw/zinc/34/89/62/467348962.db2.gz GZVLSAUEZMPBJN-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449538094 467660059 /nfs/dbraw/zinc/66/00/59/467660059.db2.gz GZLDYVGVQYZRBX-GXSJLCMTSA-N 0 3 348.346 2.496 20 5 EEBDHN CN(CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496730730 467699785 /nfs/dbraw/zinc/69/97/85/467699785.db2.gz OCKGREBBGGYXHK-AWEZNQCLSA-N 0 3 339.392 2.085 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCO[C@@H](CC)C1 ZINC000487161423 468026276 /nfs/dbraw/zinc/02/62/76/468026276.db2.gz GRDJSBWINWALSL-INIZCTEOSA-N 0 3 337.420 2.194 20 5 EEBDHN CC(C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487976694 468064690 /nfs/dbraw/zinc/06/46/90/468064690.db2.gz ZWSNPANTYAYMLU-MRXNPFEDSA-N 0 3 334.420 2.195 20 5 EEBDHN CNC(=O)c1ccc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753701 468102487 /nfs/dbraw/zinc/10/24/87/468102487.db2.gz NDNVWQJDFRWZQK-XJKCOSOUSA-N 0 3 346.431 2.121 20 5 EEBDHN COc1ccc(CC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000532873069 468146482 /nfs/dbraw/zinc/14/64/82/468146482.db2.gz IYVRUHSVTCHXKU-HUUCEWRRSA-N 0 3 347.415 2.089 20 5 EEBDHN COc1ccc(CC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000532873068 468146833 /nfs/dbraw/zinc/14/68/33/468146833.db2.gz IYVRUHSVTCHXKU-GJZGRUSLSA-N 0 3 347.415 2.089 20 5 EEBDHN CN1CCN(CCCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000533529521 468208381 /nfs/dbraw/zinc/20/83/81/468208381.db2.gz FFMVKCRQMCWACT-UHFFFAOYSA-N 0 3 328.363 2.313 20 5 EEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496444853 468251409 /nfs/dbraw/zinc/25/14/09/468251409.db2.gz VDWVRVDEVHPFLS-ZDUSSCGKSA-N 0 3 334.376 2.082 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594196772 468508322 /nfs/dbraw/zinc/50/83/22/468508322.db2.gz MLTAXERVIGMZAY-KGLIPLIRSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC(C)C)c1 ZINC000591753721 468514265 /nfs/dbraw/zinc/51/42/65/468514265.db2.gz TULXWANQPBEPDA-INIZCTEOSA-N 0 3 348.403 2.038 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594234479 468524121 /nfs/dbraw/zinc/52/41/21/468524121.db2.gz XJHQUKMSTKJFIM-WBVHZDCISA-N 0 3 346.431 2.453 20 5 EEBDHN C[C@H]1C[C@H](C)CN(CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000569988457 468574548 /nfs/dbraw/zinc/57/45/48/468574548.db2.gz LAPVTNWLHJJNFE-STQMWFEESA-N 0 3 346.387 2.389 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCNC2(CCCCC2)C1 ZINC000594628751 468639859 /nfs/dbraw/zinc/63/98/59/468639859.db2.gz GZYBYKWJPBSSHY-UHFFFAOYSA-N 0 3 343.387 2.219 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597716737 468648928 /nfs/dbraw/zinc/64/89/28/468648928.db2.gz TVHYWTRHMPWMAK-KRWDZBQOSA-N 0 3 332.404 2.194 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000597717131 468649822 /nfs/dbraw/zinc/64/98/22/468649822.db2.gz ZRHVUZNCHDTPHP-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597921812 468711513 /nfs/dbraw/zinc/71/15/13/468711513.db2.gz BUHYUMOUFSKIJB-JTQLQIEISA-N 0 3 331.376 2.074 20 5 EEBDHN CN1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601160791 468765065 /nfs/dbraw/zinc/76/50/65/468765065.db2.gz ZQQZEMYTUMBTLA-UHFFFAOYSA-N 0 3 343.431 2.003 20 5 EEBDHN CN(C)CCOC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610582031 469010090 /nfs/dbraw/zinc/01/00/90/469010090.db2.gz KKQBOKIAAAATQS-UHFFFAOYSA-N 0 3 348.403 2.279 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)[C@@H](C)CCO ZINC000602795599 469081126 /nfs/dbraw/zinc/08/11/26/469081126.db2.gz BPHKLUPUFICPAI-AWEZNQCLSA-N 0 3 332.404 2.373 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000602829203 469103355 /nfs/dbraw/zinc/10/33/55/469103355.db2.gz RCDXGYHYZBIRLY-CQSZACIVSA-N 0 3 338.795 2.466 20 5 EEBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596177188 469188453 /nfs/dbraw/zinc/18/84/53/469188453.db2.gz CMUWMMQDNUIJIQ-OCCSQVGLSA-N 0 3 338.477 2.427 20 5 EEBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596471480 469277710 /nfs/dbraw/zinc/27/77/10/469277710.db2.gz UJOUZLTXLIOQHN-OAHLLOKOSA-N 0 3 342.399 2.312 20 5 EEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878658 469333719 /nfs/dbraw/zinc/33/37/19/469333719.db2.gz FTUNTLGLNJKCDC-STQMWFEESA-N 0 3 333.388 2.057 20 5 EEBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000602554275 469358884 /nfs/dbraw/zinc/35/88/84/469358884.db2.gz DXZQVJCYNNOVSR-GFCCVEGCSA-N 0 3 330.392 2.043 20 5 EEBDHN C[C@H](C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000619844921 469689519 /nfs/dbraw/zinc/68/95/19/469689519.db2.gz VGHHUWSIGXYXDS-GFCCVEGCSA-N 0 3 343.449 2.145 20 5 EEBDHN CCCN(Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368092 470008203 /nfs/dbraw/zinc/00/82/03/470008203.db2.gz FWEIXGJWMGQQMX-HNNXBMFYSA-N 0 3 336.367 2.204 20 5 EEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271559 577456138 /nfs/dbraw/zinc/45/61/38/577456138.db2.gz LXXZBVUISYVYCI-HNNXBMFYSA-N 0 3 330.340 2.489 20 5 EEBDHN Cn1ccnc1[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028585 577589190 /nfs/dbraw/zinc/58/91/90/577589190.db2.gz GOUOSTQFJKPMLP-HOCLYGCPSA-N 0 3 330.388 2.241 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744350437 577896523 /nfs/dbraw/zinc/89/65/23/577896523.db2.gz OOYZFEUPJXUKGQ-ZDUSSCGKSA-N 0 3 330.388 2.150 20 5 EEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000749283520 577973977 /nfs/dbraw/zinc/97/39/77/577973977.db2.gz YXSLHEXDBNTOMA-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749675258 577979709 /nfs/dbraw/zinc/97/97/09/577979709.db2.gz XYMDOGZCCGQCRM-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736572703 578212482 /nfs/dbraw/zinc/21/24/82/578212482.db2.gz ZYKAOIOSZXFQDA-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736572703 578212483 /nfs/dbraw/zinc/21/24/83/578212483.db2.gz ZYKAOIOSZXFQDA-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN COc1c([O-])ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000891823017 676849712 /nfs/dbraw/zinc/84/97/12/676849712.db2.gz XETPWNWZMWOFRE-CQSZACIVSA-N 0 3 335.404 2.369 20 5 EEBDHN COc1c(O)ccc(CN[C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892687324 682591698 /nfs/dbraw/zinc/59/16/98/682591698.db2.gz JOFWGDPMMNKMJR-ZDUSSCGKSA-N 0 3 330.340 2.402 20 5 EEBDHN CN(c1c([N+](=O)[O-])cnn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000892768112 683020810 /nfs/dbraw/zinc/02/08/10/683020810.db2.gz OWKCVXGMPSPFIJ-OAHLLOKOSA-N 0 3 329.404 2.429 20 5 EEBDHN CC(F)(F)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989848411 692384715 /nfs/dbraw/zinc/38/47/15/692384715.db2.gz XBPYMXUTWJXYIS-UHFFFAOYSA-N 0 3 333.360 2.392 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC000813100212 1201095972 /nfs/dbraw/zinc/09/59/72/1201095972.db2.gz PIHFDIIWFUJZGV-SSDOTTSWSA-N 0 3 342.714 2.190 20 5 EEBDHN CC(COC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813112177 1201122819 /nfs/dbraw/zinc/12/28/19/1201122819.db2.gz DBKBVFKNONQYFR-LBPRGKRZSA-N 0 3 340.339 2.302 20 5 EEBDHN CC(COC(=O)c1cnnn1-c1c(Cl)cccc1Cl)[N+](=O)[O-] ZINC000813114544 1201124727 /nfs/dbraw/zinc/12/47/27/1201124727.db2.gz CPIGKLBBGWAOFY-SSDOTTSWSA-N 0 3 345.142 2.396 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121219261 1201602440 /nfs/dbraw/zinc/60/24/40/1201602440.db2.gz ZWTYODDPOMMNMF-QGZVFWFLSA-N 0 3 331.420 2.482 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095415688 1205713115 /nfs/dbraw/zinc/71/31/15/1205713115.db2.gz OYAQAEGSOKRKNW-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798925 1206485453 /nfs/dbraw/zinc/48/54/53/1206485453.db2.gz IEBOJYFLWFIHAT-SNVBAGLBSA-N 0 3 349.416 2.061 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1 ZINC000856489342 1293546393 /nfs/dbraw/zinc/54/63/93/1293546393.db2.gz MLAZVZXNJYGTRO-ZDUSSCGKSA-N 0 3 343.786 2.386 20 5 EEBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1)[N+](=O)[O-] ZINC000860777159 1295106452 /nfs/dbraw/zinc/10/64/52/1295106452.db2.gz LJUCEIJVQUKODD-SNVBAGLBSA-N 0 3 333.406 2.050 20 5 EEBDHN COC(=O)c1cc(OC)c(O[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001226431024 1301409037 /nfs/dbraw/zinc/40/90/37/1301409037.db2.gz LSSOUDIJCHQQFQ-NSHDSACASA-N 0 3 338.360 2.252 20 5 EEBDHN C[C@@H]1COCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782527259 1304079090 /nfs/dbraw/zinc/07/90/90/1304079090.db2.gz ZXGJCSZGXIBUEA-LLVKDONJSA-N 0 3 325.340 2.173 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570894 1314502933 /nfs/dbraw/zinc/50/29/33/1314502933.db2.gz UPJCECQOWQDVCU-RKTXRCNFSA-N 0 3 329.400 2.393 20 5 EEBDHN O=C(COc1cccc(F)c1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150902762 1316405114 /nfs/dbraw/zinc/40/51/14/1316405114.db2.gz LENCTSWHTNQGIN-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN CN(C)c1ccccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153414151 1316825639 /nfs/dbraw/zinc/82/56/39/1316825639.db2.gz OEVBYUHFEUKACI-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCNC[C@@H]2c2cccs2)c1 ZINC001156111794 1317882011 /nfs/dbraw/zinc/88/20/11/1317882011.db2.gz UQDAYVIAWLCJNB-SNVBAGLBSA-N 0 3 340.792 2.094 20 5 EEBDHN CCN(CC)CCNC(=N)Nc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001163127040 1321043871 /nfs/dbraw/zinc/04/38/71/1321043871.db2.gz XOFDLWDWKPCYHX-UHFFFAOYSA-N 0 3 328.804 2.230 20 5 EEBDHN O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1CNCc2ccsc21 ZINC001163238827 1321074913 /nfs/dbraw/zinc/07/49/13/1321074913.db2.gz OBXIHFWEGFVXQC-NSHDSACASA-N 0 3 330.369 2.156 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)n2ncc3c2CCNC3)nc1Cl ZINC001165218019 1321475830 /nfs/dbraw/zinc/47/58/30/1321475830.db2.gz FPYCNRIZDLGIQL-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN COc1cc(C)nc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c1[N+](=O)[O-] ZINC001165352477 1321506751 /nfs/dbraw/zinc/50/67/51/1321506751.db2.gz ZMNJRTVRYWWVDS-LSDHHAIUSA-N 0 3 340.383 2.382 20 5 EEBDHN Cc1ccc(CN2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC001325407605 1333880758 /nfs/dbraw/zinc/88/07/58/1333880758.db2.gz UUTRUOYKBWOBAN-UHFFFAOYSA-N 0 3 327.388 2.406 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001609602431 1352031832 /nfs/dbraw/zinc/03/18/32/1352031832.db2.gz ZBAXAXFBUKANJD-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001609602431 1352031834 /nfs/dbraw/zinc/03/18/34/1352031834.db2.gz ZBAXAXFBUKANJD-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCCN3CCC[C@H]3C2)c(Br)c1 ZINC001340208421 1337137516 /nfs/dbraw/zinc/13/75/16/1337137516.db2.gz BVEOSHFEUOWWGG-JTQLQIEISA-N 0 3 341.209 2.427 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589134566 1348963315 /nfs/dbraw/zinc/96/33/15/1348963315.db2.gz DVGUXQHJBUKFKZ-SECBINFHSA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589134566 1348963319 /nfs/dbraw/zinc/96/33/19/1348963319.db2.gz DVGUXQHJBUKFKZ-SECBINFHSA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589134566 1348963323 /nfs/dbraw/zinc/96/33/23/1348963323.db2.gz DVGUXQHJBUKFKZ-SECBINFHSA-N 0 3 349.370 2.199 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589134566 1348963325 /nfs/dbraw/zinc/96/33/25/1348963325.db2.gz DVGUXQHJBUKFKZ-SECBINFHSA-N 0 3 349.370 2.199 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCCC[NH+]1CCCC1 ZINC001593480953 1349812818 /nfs/dbraw/zinc/81/28/18/1349812818.db2.gz NUYFYYDRELZDRY-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCCC[NH+]1CCCC1 ZINC001593480953 1349812822 /nfs/dbraw/zinc/81/28/22/1349812822.db2.gz NUYFYYDRELZDRY-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897181 1350798298 /nfs/dbraw/zinc/79/82/98/1350798298.db2.gz CXNYTTGRYYUUCF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897181 1350798301 /nfs/dbraw/zinc/79/83/01/1350798301.db2.gz CXNYTTGRYYUUCF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897181 1350798305 /nfs/dbraw/zinc/79/83/05/1350798305.db2.gz CXNYTTGRYYUUCF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897181 1350798307 /nfs/dbraw/zinc/79/83/07/1350798307.db2.gz CXNYTTGRYYUUCF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2ccccn2c1 ZINC001134700856 1367770286 /nfs/dbraw/zinc/77/02/86/1367770286.db2.gz RQZZRERHAMIAQX-UHFFFAOYSA-N 0 3 338.367 2.367 20 5 EEBDHN C[C@H]1CCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768600 1369485347 /nfs/dbraw/zinc/48/53/47/1369485347.db2.gz ROWHRPPOULCOLH-WMLDXEAASA-N 0 3 343.431 2.492 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000180400010 774779566 /nfs/dbraw/zinc/77/95/66/774779566.db2.gz USZXSVHIUNGIJR-LLVKDONJSA-N 0 3 332.316 2.016 20 5 EEBDHN C[C@@H](Cc1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818954150 785341701 /nfs/dbraw/zinc/34/17/01/785341701.db2.gz SQHGPHNBPJLYBD-LBPRGKRZSA-N 0 3 338.385 2.182 20 5 EEBDHN C[C@H](Cc1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818954148 785341880 /nfs/dbraw/zinc/34/18/80/785341880.db2.gz SQHGPHNBPJLYBD-GFCCVEGCSA-N 0 3 338.385 2.182 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107285185 786749284 /nfs/dbraw/zinc/74/92/84/786749284.db2.gz JTNGFSYMGMSPEY-ONEGZZNKSA-N 0 3 343.387 2.262 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000923276615 789278416 /nfs/dbraw/zinc/27/84/16/789278416.db2.gz ZQSHNYIYSXDMDW-NWDGAFQWSA-N 0 3 328.372 2.385 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000923304551 789345346 /nfs/dbraw/zinc/34/53/46/789345346.db2.gz BFBGQQUOUXHBQH-UONOGXRCSA-N 0 3 332.404 2.092 20 5 EEBDHN O=C(CCN[C@@H](CO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129722612 789709316 /nfs/dbraw/zinc/70/93/16/789709316.db2.gz WZMMTHLLVYYRMP-INIZCTEOSA-N 0 3 347.346 2.386 20 5 EEBDHN Cc1cc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC000845873407 789971282 /nfs/dbraw/zinc/97/12/82/789971282.db2.gz TUVFPLXFDCSEHJ-ZUZCIYMTSA-N 0 3 338.291 2.451 20 5 EEBDHN CCOCCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929749462 794076412 /nfs/dbraw/zinc/07/64/12/794076412.db2.gz OFSJPLJRNWAZQG-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN Cc1ccnc(NC2CCN(C(=O)CN(C)C(C)C)CC2)c1[N+](=O)[O-] ZINC001095228660 797551870 /nfs/dbraw/zinc/55/18/70/797551870.db2.gz PJMSEFVIMCJDGZ-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013967 803571237 /nfs/dbraw/zinc/57/12/37/803571237.db2.gz WZQIQYRGXPDCHN-RQJABVFESA-N 0 3 325.409 2.125 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001517388988 1119032924 /nfs/dbraw/zinc/03/29/24/1119032924.db2.gz CFENIANFRDCTPB-HZSPNIEDSA-N 0 3 338.456 2.191 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178476787 232186182 /nfs/dbraw/zinc/18/61/82/232186182.db2.gz DCABYWQIFLPBJU-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H]1C[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447813711 242320424 /nfs/dbraw/zinc/32/04/24/242320424.db2.gz XELNHXFREZRNCO-HOCLYGCPSA-N 0 3 348.447 2.322 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451598222 243171996 /nfs/dbraw/zinc/17/19/96/243171996.db2.gz DVDCMADOJSBSFA-CRAIPNDOSA-N 0 3 347.415 2.228 20 5 EEBDHN Cc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075745172 203322122 /nfs/dbraw/zinc/32/21/22/203322122.db2.gz RMDHBJIHDZTSGC-UONOGXRCSA-N 0 3 336.417 2.359 20 5 EEBDHN CCN(Cc1ccc(Cl)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266496541 248331523 /nfs/dbraw/zinc/33/15/23/248331523.db2.gz WHMFBXHQPBHGJZ-NSHDSACASA-N 0 3 344.824 2.389 20 5 EEBDHN CCN(CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344935275 284726654 /nfs/dbraw/zinc/72/66/54/284726654.db2.gz LXZFKNDDZAKYLV-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173989127 206976045 /nfs/dbraw/zinc/97/60/45/206976045.db2.gz DLZCXVPWLYKKOQ-ZDUSSCGKSA-N 0 3 341.433 2.008 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270474916 256138808 /nfs/dbraw/zinc/13/88/08/256138808.db2.gz MLMOXJWESQPERB-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270545644 256146449 /nfs/dbraw/zinc/14/64/49/256146449.db2.gz YPSXDOAWGMATGH-XZJROXQQSA-N 0 3 331.372 2.081 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273557966 256306755 /nfs/dbraw/zinc/30/67/55/256306755.db2.gz WQESHYPMZJAMSK-JKSUJKDBSA-N 0 3 349.456 2.176 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000275821904 256382303 /nfs/dbraw/zinc/38/23/03/256382303.db2.gz NBQBYKVYORQVBU-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN CC1(C)C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000119674821 221373838 /nfs/dbraw/zinc/37/38/38/221373838.db2.gz DVQDDORGBYFJOK-OAHLLOKOSA-N 0 3 347.415 2.420 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000173336358 291992660 /nfs/dbraw/zinc/99/26/60/291992660.db2.gz XAKCGKBDEOIATN-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C)cc1C ZINC000236722138 291992476 /nfs/dbraw/zinc/99/24/76/291992476.db2.gz ZENMOJYUTARUII-OAHLLOKOSA-N 0 3 343.449 2.253 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c1[N+](=O)[O-] ZINC000349810249 292087533 /nfs/dbraw/zinc/08/75/33/292087533.db2.gz LYJPOMMAPSAINQ-CYBMUJFWSA-N 0 3 343.449 2.219 20 5 EEBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000173868575 152204288 /nfs/dbraw/zinc/20/42/88/152204288.db2.gz VEGCUGZSZHOYDN-OAHLLOKOSA-N 0 3 348.447 2.268 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000164067802 286381349 /nfs/dbraw/zinc/38/13/49/286381349.db2.gz QPHKCFWDULSQKY-DOMZBBRYSA-N 0 3 333.388 2.160 20 5 EEBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248463604 160347838 /nfs/dbraw/zinc/34/78/38/160347838.db2.gz QRQTWBDOWBYIEV-CZUORRHYSA-N 0 3 340.445 2.408 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000341211754 160974551 /nfs/dbraw/zinc/97/45/51/160974551.db2.gz PMFJDJOJEREHAB-SJLPKXTDSA-N 0 3 346.383 2.048 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851089 161095784 /nfs/dbraw/zinc/09/57/84/161095784.db2.gz IGONZARNHCXYQG-WFASDCNBSA-N 0 3 331.416 2.471 20 5 EEBDHN CN(C)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000345999306 161349103 /nfs/dbraw/zinc/34/91/03/161349103.db2.gz IENZRZMMFUIJQN-UHFFFAOYSA-N 0 3 337.401 2.118 20 5 EEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCOC2)c1 ZINC000352836565 162307128 /nfs/dbraw/zinc/30/71/28/162307128.db2.gz MTRHUNNTXMLHBA-SNVBAGLBSA-N 0 3 348.140 2.078 20 5 EEBDHN COc1cc(CNCC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352896309 162337050 /nfs/dbraw/zinc/33/70/50/162337050.db2.gz AQWVBDXWDGVYDU-UHFFFAOYSA-N 0 3 346.330 2.252 20 5 EEBDHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000154554165 292524924 /nfs/dbraw/zinc/52/49/24/292524924.db2.gz QTEGJVMJAUAPJR-MRXNPFEDSA-N 0 3 335.404 2.086 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccncc21 ZINC000375777081 167191794 /nfs/dbraw/zinc/19/17/94/167191794.db2.gz PXBABRTVCFNWJN-MSOLQXFVSA-N 0 3 342.399 2.178 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094779 273811902 /nfs/dbraw/zinc/81/19/02/273811902.db2.gz KROYPRVTWHEKOV-FYCOFBDGSA-N 0 3 335.429 2.162 20 5 EEBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399162 274024832 /nfs/dbraw/zinc/02/48/32/274024832.db2.gz RUSZIYXXHMLUDG-HOCLYGCPSA-N 0 3 335.404 2.377 20 5 EEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(C)(C)O ZINC000275659401 274259188 /nfs/dbraw/zinc/25/91/88/274259188.db2.gz XZMMMLDNPNPCOA-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290202024 275188963 /nfs/dbraw/zinc/18/89/63/275188963.db2.gz UATJKMZAXHKEQY-QGZVFWFLSA-N 0 3 342.399 2.475 20 5 EEBDHN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000342471409 278798673 /nfs/dbraw/zinc/79/86/73/278798673.db2.gz JCZCQFASHVOABE-UKRRQHHQSA-N 0 3 336.411 2.196 20 5 EEBDHN C[C@H](CCS(C)(=O)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964097 279270450 /nfs/dbraw/zinc/27/04/50/279270450.db2.gz AVPHUPIDTMIOIM-IAQYHMDHSA-N 0 3 326.418 2.385 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281766490 292784621 /nfs/dbraw/zinc/78/46/21/292784621.db2.gz SVCATXCPFDTWPB-CQSZACIVSA-N 0 3 349.431 2.471 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913021 293076394 /nfs/dbraw/zinc/07/63/94/293076394.db2.gz LAAKNPFPQGVCDU-JQWIXIFHSA-N 0 3 336.310 2.494 20 5 EEBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251487 293926259 /nfs/dbraw/zinc/92/62/59/293926259.db2.gz XLBDIOKYURLSKO-KGLIPLIRSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1nc2scc(C3CC3)n2c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000297812236 294348028 /nfs/dbraw/zinc/34/80/28/294348028.db2.gz YDRAEHWVRCYVKX-UHFFFAOYSA-N 0 3 346.416 2.476 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000171265018 295255101 /nfs/dbraw/zinc/25/51/01/295255101.db2.gz AGKKRPXZQDQJEM-XQQFMLRXSA-N 0 3 335.404 2.481 20 5 EEBDHN CCN(CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(C)C ZINC000444164622 315278110 /nfs/dbraw/zinc/27/81/10/315278110.db2.gz DRNANQQCXIFUMN-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000523353324 316987387 /nfs/dbraw/zinc/98/73/87/316987387.db2.gz HXWAPYDEKIZTRM-UHFFFAOYSA-N 0 3 334.376 2.039 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2ccccc2CC1 ZINC000544147310 318181402 /nfs/dbraw/zinc/18/14/02/318181402.db2.gz STZQJDARDVMSQF-KRWDZBQOSA-N 0 3 342.395 2.435 20 5 EEBDHN CN1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546562752 318252702 /nfs/dbraw/zinc/25/27/02/318252702.db2.gz IDZZMJZWAWNJIF-GFCCVEGCSA-N 0 3 337.395 2.470 20 5 EEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000547726958 318315893 /nfs/dbraw/zinc/31/58/93/318315893.db2.gz JOTCPIJYNXANCT-OAHLLOKOSA-N 0 3 347.802 2.477 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC(F)(F)C2)cc1 ZINC000572953867 319891228 /nfs/dbraw/zinc/89/12/28/319891228.db2.gz ZIKREOIIGFEMCG-LLVKDONJSA-N 0 3 348.371 2.394 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c2ncccc12 ZINC000325775397 465030000 /nfs/dbraw/zinc/03/00/00/465030000.db2.gz DDGBFLXLIFWIAZ-CHWSQXEVSA-N 0 3 328.372 2.418 20 5 EEBDHN CCO[C@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160491 465098855 /nfs/dbraw/zinc/09/88/55/465098855.db2.gz KMISOORIISVWRA-CVEARBPZSA-N 0 3 347.415 2.495 20 5 EEBDHN COC(=O)CC1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000152551532 462546255 /nfs/dbraw/zinc/54/62/55/462546255.db2.gz RAOOBRAQVRSYRF-GQCTYLIASA-N 0 3 334.372 2.310 20 5 EEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000154239532 462744514 /nfs/dbraw/zinc/74/45/14/462744514.db2.gz FXNHFIRCEFEROD-ZDUSSCGKSA-N 0 3 334.420 2.417 20 5 EEBDHN NC(=O)c1ccc(CN2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000116300817 462752333 /nfs/dbraw/zinc/75/23/33/462752333.db2.gz OPNKSMVHCUUDRD-UHFFFAOYSA-N 0 3 325.368 2.295 20 5 EEBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552510 462797839 /nfs/dbraw/zinc/79/78/39/462797839.db2.gz VLGSFNYTEHRONN-LSDHHAIUSA-N 0 3 335.404 2.036 20 5 EEBDHN Cc1nn(C)c(NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000076688357 462895187 /nfs/dbraw/zinc/89/51/87/462895187.db2.gz ZHSOUDDOWQRLSU-UHFFFAOYSA-N 0 3 337.424 2.084 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000077591375 463009066 /nfs/dbraw/zinc/00/90/66/463009066.db2.gz NAPDUCPTZQXIEG-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067906544 463066353 /nfs/dbraw/zinc/06/63/53/463066353.db2.gz JCGCPPARNKDPNU-KBPBESRZSA-N 0 3 349.431 2.383 20 5 EEBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157504240 463138055 /nfs/dbraw/zinc/13/80/55/463138055.db2.gz OBFDOSTXIOLKCC-CQSZACIVSA-N 0 3 343.387 2.142 20 5 EEBDHN CNC(=O)c1ccc(NC[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562194 463174853 /nfs/dbraw/zinc/17/48/53/463174853.db2.gz PAEZEGMWFMIYNX-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000032727976 463390290 /nfs/dbraw/zinc/39/02/90/463390290.db2.gz FVHKGBAXTHJNOC-GOSISDBHSA-N 0 3 341.411 2.426 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000492313372 468377401 /nfs/dbraw/zinc/37/74/01/468377401.db2.gz OYHVGDGMSNXEAS-STUIXMSNSA-N 0 3 335.429 2.112 20 5 EEBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784900 463858796 /nfs/dbraw/zinc/85/87/96/463858796.db2.gz YFEQBIZJKOAJBS-YOEHRIQHSA-N 0 3 335.404 2.052 20 5 EEBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730859 463915053 /nfs/dbraw/zinc/91/50/53/463915053.db2.gz LOBOVOKOPFWAIE-NSHDSACASA-N 0 3 337.424 2.121 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269397962 463976130 /nfs/dbraw/zinc/97/61/30/463976130.db2.gz NEQLFIAEOOJNBG-NWDGAFQWSA-N 0 3 337.424 2.292 20 5 EEBDHN CN1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279954355 464170549 /nfs/dbraw/zinc/17/05/49/464170549.db2.gz KAIMIYHNIVKVHQ-UHFFFAOYSA-N 0 3 329.759 2.140 20 5 EEBDHN CN(C)CCOCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000226738477 464185740 /nfs/dbraw/zinc/18/57/40/464185740.db2.gz XFFZTWIQHQKGLQ-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000284458759 464200046 /nfs/dbraw/zinc/20/00/46/464200046.db2.gz RTOYBXYSNZNQAU-ABAIWWIYSA-N 0 3 333.388 2.206 20 5 EEBDHN Cc1cnc(N2CCC(N3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000270452219 464255652 /nfs/dbraw/zinc/25/56/52/464255652.db2.gz ISKBPXDKSDPUER-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN Cc1ccnc(N2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000270449605 464256339 /nfs/dbraw/zinc/25/63/39/464256339.db2.gz IBRIBICJDCGJRT-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000237608849 464347578 /nfs/dbraw/zinc/34/75/78/464347578.db2.gz QKGQDBHFRIHVGV-CXAGYDPISA-N 0 3 342.399 2.459 20 5 EEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180697861 464373339 /nfs/dbraw/zinc/37/33/39/464373339.db2.gz WUKFCIZKMHPZTK-LBPRGKRZSA-N 0 3 334.420 2.417 20 5 EEBDHN CCN(CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000281646104 464533302 /nfs/dbraw/zinc/53/33/02/464533302.db2.gz RJZUHRFOHJJXAY-UHFFFAOYSA-N 0 3 335.404 2.273 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294669559 464569114 /nfs/dbraw/zinc/56/91/14/464569114.db2.gz ZUJJGGGSADLQFF-LLVKDONJSA-N 0 3 339.367 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000182190920 464594875 /nfs/dbraw/zinc/59/48/75/464594875.db2.gz SGXMHNNHUDYDPI-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000272487231 464628502 /nfs/dbraw/zinc/62/85/02/464628502.db2.gz MRRDJBIJEWPWTB-IAQYHMDHSA-N 0 3 328.372 2.242 20 5 EEBDHN CC[C@H](O)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272515918 464640982 /nfs/dbraw/zinc/64/09/82/464640982.db2.gz XOALKPUZUPAMJF-NSHDSACASA-N 0 3 348.346 2.498 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295223612 464751303 /nfs/dbraw/zinc/75/13/03/464751303.db2.gz YJWGMTVOBJBTPW-UHFFFAOYSA-N 0 3 327.450 2.474 20 5 EEBDHN COc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759044 465493861 /nfs/dbraw/zinc/49/38/61/465493861.db2.gz PLVUDGZBJGIECW-DLBZAZTESA-N 0 3 336.388 2.013 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339765998 465497697 /nfs/dbraw/zinc/49/76/97/465497697.db2.gz ZKPPJVHMYDLGAJ-IRXDYDNUSA-N 0 3 336.388 2.013 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000344547051 465662033 /nfs/dbraw/zinc/66/20/33/465662033.db2.gz ZOCRUNNHYCSMQB-LJQANCHMSA-N 0 3 341.411 2.321 20 5 EEBDHN Cc1ccc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350075 465734611 /nfs/dbraw/zinc/73/46/11/465734611.db2.gz PIVDPROPVSYCKZ-JKSUJKDBSA-N 0 3 332.448 2.365 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000366536518 465789861 /nfs/dbraw/zinc/78/98/61/465789861.db2.gz RYQMZQXEXFXMQV-GOSISDBHSA-N 0 3 342.399 2.173 20 5 EEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000361210837 465838165 /nfs/dbraw/zinc/83/81/65/465838165.db2.gz DETAIUZNKVEXCE-CVEARBPZSA-N 0 3 349.431 2.000 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N(C)C ZINC000331614020 466164240 /nfs/dbraw/zinc/16/42/40/466164240.db2.gz PMFLZYQQGSLDPH-CABCVRRESA-N 0 3 348.428 2.194 20 5 EEBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCc2ccccc2C1 ZINC000340675400 466255794 /nfs/dbraw/zinc/25/57/94/466255794.db2.gz BXBYVDKHCOPMRD-UHFFFAOYSA-N 0 3 342.399 2.490 20 5 EEBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000340675400 466255799 /nfs/dbraw/zinc/25/57/99/466255799.db2.gz BXBYVDKHCOPMRD-UHFFFAOYSA-N 0 3 342.399 2.490 20 5 EEBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000340675400 466255806 /nfs/dbraw/zinc/25/58/06/466255806.db2.gz BXBYVDKHCOPMRD-UHFFFAOYSA-N 0 3 342.399 2.490 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000357859189 466267864 /nfs/dbraw/zinc/26/78/64/466267864.db2.gz HKQSOFRQJGQCFH-WBMJQRKESA-N 0 3 345.403 2.058 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](CO)C3)o2)c1 ZINC000304662684 466309626 /nfs/dbraw/zinc/30/96/26/466309626.db2.gz ANUVLZPHSXCCRL-ZDUSSCGKSA-N 0 3 331.372 2.497 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000368352751 466605018 /nfs/dbraw/zinc/60/50/18/466605018.db2.gz WVRPYVWZRRRPLA-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN Cc1cccc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1[N+](=O)[O-] ZINC000373238383 466738791 /nfs/dbraw/zinc/73/87/91/466738791.db2.gz ZPDSTDJDJYVMCW-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365601885 466877749 /nfs/dbraw/zinc/87/77/49/466877749.db2.gz QZOSVXNRDFGWNJ-WBVHZDCISA-N 0 3 337.395 2.467 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411722986 466886878 /nfs/dbraw/zinc/88/68/78/466886878.db2.gz RPCVKBTUYOUJQQ-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000411765269 466896125 /nfs/dbraw/zinc/89/61/25/466896125.db2.gz JJGVHIJYWUYQJR-KRWDZBQOSA-N 0 3 349.387 2.187 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411990738 466960335 /nfs/dbraw/zinc/96/03/35/466960335.db2.gz RTZVYRZPTOGRGL-YGRLFVJLSA-N 0 3 348.321 2.491 20 5 EEBDHN COC(=O)[C@]1(C)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412061966 466990141 /nfs/dbraw/zinc/99/01/41/466990141.db2.gz HXUHKKJVPOBHLN-QGZVFWFLSA-N 0 3 349.387 2.199 20 5 EEBDHN CCCN(CCN(C)C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412203609 467037718 /nfs/dbraw/zinc/03/77/18/467037718.db2.gz KGXJDRVKCYXEJM-UHFFFAOYSA-N 0 3 341.383 2.085 20 5 EEBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CCN1C[C@H](C)O ZINC000413129286 467175558 /nfs/dbraw/zinc/17/55/58/467175558.db2.gz LHLQBWRPTDAFPA-UONOGXRCSA-N 0 3 344.415 2.424 20 5 EEBDHN CCCN1CCC[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427960993 467189102 /nfs/dbraw/zinc/18/91/02/467189102.db2.gz BSEQDWVJILXWPB-OAHLLOKOSA-N 0 3 333.388 2.190 20 5 EEBDHN Cc1c([C@H]2OCC[C@@H]2NCCOc2cccc([N+](=O)[O-])c2)cnn1C ZINC000431949098 467205615 /nfs/dbraw/zinc/20/56/15/467205615.db2.gz HHVQHQSQKIETOL-DLBZAZTESA-N 0 3 346.387 2.135 20 5 EEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420469253 467418186 /nfs/dbraw/zinc/41/81/86/467418186.db2.gz VIWPGURSZOLIBB-MRXNPFEDSA-N 0 3 349.412 2.136 20 5 EEBDHN CCOc1cc(CN(C)C[C@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000492583533 467678240 /nfs/dbraw/zinc/67/82/40/467678240.db2.gz PUEUUMSLUHJJRG-OAHLLOKOSA-N 0 3 335.404 2.294 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449658592 467679947 /nfs/dbraw/zinc/67/99/47/467679947.db2.gz BEJFGDMBWSCGIU-SKDRFNHKSA-N 0 3 345.371 2.189 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000449662410 467681005 /nfs/dbraw/zinc/68/10/05/467681005.db2.gz LKWCCIVHTSMCQT-LLVKDONJSA-N 0 3 331.344 2.044 20 5 EEBDHN C[C@H]1CN(CCCNc2nccc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000450486206 467857885 /nfs/dbraw/zinc/85/78/85/467857885.db2.gz KRUKDJNJSBKZLM-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EEBDHN CO[C@@H]1COCC[C@@H]1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000450700226 467894119 /nfs/dbraw/zinc/89/41/19/467894119.db2.gz LWVVCKCZBUKVEM-SJKOYZFVSA-N 0 3 331.372 2.337 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195985 468508243 /nfs/dbraw/zinc/50/82/43/468508243.db2.gz JTRNOKDAVUBLOI-GJZGRUSLSA-N 0 3 343.387 2.218 20 5 EEBDHN COc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594195746 468508381 /nfs/dbraw/zinc/50/83/81/468508381.db2.gz IOVRLAUNMJFFON-ZIAGYGMSSA-N 0 3 333.388 2.350 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594196771 468508511 /nfs/dbraw/zinc/50/85/11/468508511.db2.gz MLTAXERVIGMZAY-KBPBESRZSA-N 0 3 333.388 2.350 20 5 EEBDHN CCCOc1cc(C)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591753973 468515213 /nfs/dbraw/zinc/51/52/13/468515213.db2.gz ZBYHRIOHSBAKLU-INIZCTEOSA-N 0 3 348.403 2.039 20 5 EEBDHN COCc1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558120403 468666371 /nfs/dbraw/zinc/66/63/71/468666371.db2.gz WJZVUYZQSMTVTG-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN CC(C)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000600947548 468693595 /nfs/dbraw/zinc/69/35/95/468693595.db2.gz MJNNSQSEIDDRAP-NSHDSACASA-N 0 3 329.198 2.187 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147439 468761541 /nfs/dbraw/zinc/76/15/41/468761541.db2.gz NIKOIDLFCDMLDD-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000571448114 468789863 /nfs/dbraw/zinc/78/98/63/468789863.db2.gz RPVOVEGMVJCHBW-NSHDSACASA-N 0 3 334.376 2.063 20 5 EEBDHN CC(C)CNC(=O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370483 468829014 /nfs/dbraw/zinc/82/90/14/468829014.db2.gz GRXYIZFYYBXNGC-AWEZNQCLSA-N 0 3 349.435 2.028 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CCCCC1 ZINC000593111617 468875066 /nfs/dbraw/zinc/87/50/66/468875066.db2.gz HBCXCLWSJMYZKP-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN O=C1NCCc2ccc(CNCCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000602613524 468966406 /nfs/dbraw/zinc/96/64/06/468966406.db2.gz KUDDOHNOTCHTOT-UHFFFAOYSA-N 0 3 325.368 2.213 20 5 EEBDHN C[C@H]1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684416 469009732 /nfs/dbraw/zinc/00/97/32/469009732.db2.gz XWAANZNGFFXINA-SWLSCSKDSA-N 0 3 342.403 2.451 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000602796674 469082384 /nfs/dbraw/zinc/08/23/84/469082384.db2.gz YLLOIJRVGBYCRE-INIZCTEOSA-N 0 3 340.387 2.327 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000595918506 469082502 /nfs/dbraw/zinc/08/25/02/469082502.db2.gz DXWWWGQWAAWFFN-UHFFFAOYSA-N 0 3 347.396 2.241 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H](CO)Cc1ccccc1)OCCO2 ZINC000614992956 469118022 /nfs/dbraw/zinc/11/80/22/469118022.db2.gz LDWYKFHWKDOYLQ-HNNXBMFYSA-N 0 3 344.367 2.059 20 5 EEBDHN O=C1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1 ZINC000602016658 469146869 /nfs/dbraw/zinc/14/68/69/469146869.db2.gz IPGKTBNMFRRMIN-NSHDSACASA-N 0 3 331.294 2.372 20 5 EEBDHN COc1ccc([C@H](NCCn2c(C)ncc2[N+](=O)[O-])C2CC2)cn1 ZINC000602916964 469163805 /nfs/dbraw/zinc/16/38/05/469163805.db2.gz JITRAUVDKBRBEX-MRXNPFEDSA-N 0 3 331.376 2.244 20 5 EEBDHN Cc1nc(NCC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000596437074 469265660 /nfs/dbraw/zinc/26/56/60/469265660.db2.gz REPNNIAPZWGPCC-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EEBDHN COCCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599504631 469278662 /nfs/dbraw/zinc/27/86/62/469278662.db2.gz OWXRKNLWOCQXCE-INIZCTEOSA-N 0 3 338.404 2.083 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000619758798 469677495 /nfs/dbraw/zinc/67/74/95/469677495.db2.gz KRLLCRAFKUYKMH-MRXNPFEDSA-N 0 3 346.431 2.263 20 5 EEBDHN CCC1(CC)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191359673 529108605 /nfs/dbraw/zinc/10/86/05/529108605.db2.gz DBJLIZIGXRYEID-CABCVRRESA-N 0 3 335.404 2.377 20 5 EEBDHN CN(C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445739826 536113226 /nfs/dbraw/zinc/11/32/26/536113226.db2.gz CWNBMKPUURAZQC-UHFFFAOYSA-N 0 3 347.824 2.011 20 5 EEBDHN COc1ccc([C@H](CO)N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581698 577463095 /nfs/dbraw/zinc/46/30/95/577463095.db2.gz HRICODFSXJRFKT-ZWKOTPCHSA-N 0 3 346.383 2.302 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](C)(O)c1ccco1 ZINC000766180831 577514295 /nfs/dbraw/zinc/51/42/95/577514295.db2.gz ANNOGTBBANUVEY-SJKOYZFVSA-N 0 3 347.371 2.402 20 5 EEBDHN O=C(OCCN1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000770372462 577594844 /nfs/dbraw/zinc/59/48/44/577594844.db2.gz BRNNPHHMQBJPDQ-UHFFFAOYSA-N 0 3 345.355 2.491 20 5 EEBDHN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000758850712 577632358 /nfs/dbraw/zinc/63/23/58/577632358.db2.gz SGSGUIBEPAGHJZ-CQSZACIVSA-N 0 3 334.420 2.311 20 5 EEBDHN COc1ccc(OC)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250118 577803073 /nfs/dbraw/zinc/80/30/73/577803073.db2.gz AZPLHCWJJSSNMB-MRXNPFEDSA-N 0 3 332.356 2.435 20 5 EEBDHN Cc1ccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000743256968 577882303 /nfs/dbraw/zinc/88/23/03/577882303.db2.gz ZJIPNBASCMRAJR-GOSISDBHSA-N 0 3 342.399 2.250 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCN2CCc3ccccc3C2)c1 ZINC000749675529 577979682 /nfs/dbraw/zinc/97/96/82/577979682.db2.gz ZFAXLXMLANHXSO-LJQANCHMSA-N 0 3 341.411 2.276 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821581486 606473547 /nfs/dbraw/zinc/47/35/47/606473547.db2.gz MONWXCBXQCHASO-NEPJUHHUSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821581486 606473551 /nfs/dbraw/zinc/47/35/51/606473551.db2.gz MONWXCBXQCHASO-NEPJUHHUSA-N 0 3 331.380 2.060 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000891934347 677715311 /nfs/dbraw/zinc/71/53/11/677715311.db2.gz ZERHDFSRSIMSGE-AWEZNQCLSA-N 0 3 335.404 2.369 20 5 EEBDHN C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000892742900 682979331 /nfs/dbraw/zinc/97/93/31/682979331.db2.gz ZBLZVWFQAOOKCS-CQSZACIVSA-N 0 3 329.404 2.429 20 5 EEBDHN C[C@H](C(=O)N[C@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777215 683032824 /nfs/dbraw/zinc/03/28/24/683032824.db2.gz INRNLZUGMFPWRC-APPDUMDISA-N 0 3 335.379 2.438 20 5 EEBDHN CCOc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892797608 683065517 /nfs/dbraw/zinc/06/55/17/683065517.db2.gz QANRQYCCHFURKF-KRWDZBQOSA-N 0 3 333.388 2.208 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC1 ZINC001134211360 1199389986 /nfs/dbraw/zinc/38/99/86/1199389986.db2.gz FVEFOMVUVXDBNC-UHFFFAOYSA-N 0 3 331.294 2.143 20 5 EEBDHN Cc1nn(CN2CC[C@@H](N3CC=CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121224556 1201603249 /nfs/dbraw/zinc/60/32/49/1201603249.db2.gz OFXVOCYGWZJXRI-OAHLLOKOSA-N 0 3 327.388 2.157 20 5 EEBDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886145170 1202477037 /nfs/dbraw/zinc/47/70/37/1202477037.db2.gz QQMGOYATLHWZMS-GXTWGEPZSA-N 0 3 336.392 2.336 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097231004 1243856812 /nfs/dbraw/zinc/85/68/12/1243856812.db2.gz IZOSSVHPGDEXAK-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN C[C@@]1(CO)CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219474 1304041947 /nfs/dbraw/zinc/04/19/47/1304041947.db2.gz URJRNUQAVSOUQY-PXNSSMCTSA-N 0 3 337.423 2.348 20 5 EEBDHN COc1cccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001149771640 1316040421 /nfs/dbraw/zinc/04/04/21/1316040421.db2.gz XBKAICNDQXYECW-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN CC1=NC2(CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254571609 1318126317 /nfs/dbraw/zinc/12/63/17/1318126317.db2.gz YVBVBSQQHFFQNT-CYBMUJFWSA-N 0 3 344.415 2.251 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001254610141 1318143262 /nfs/dbraw/zinc/14/32/62/1318143262.db2.gz IMINULFOWBGNBM-IAGOWNOFSA-N 0 3 340.383 2.395 20 5 EEBDHN COCCC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001159564427 1319892897 /nfs/dbraw/zinc/89/28/97/1319892897.db2.gz KJLGYAVLPVVPPT-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CC(C)N1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001165200028 1321470258 /nfs/dbraw/zinc/47/02/58/1321470258.db2.gz SKPGVYAHCDOXID-AFNCTOJWSA-N 0 3 333.436 2.441 20 5 EEBDHN CNc1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320495063 1332897053 /nfs/dbraw/zinc/89/70/53/1332897053.db2.gz DZOBPXATTSROQX-LBPRGKRZSA-N 0 3 329.360 2.496 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609095835 1351841173 /nfs/dbraw/zinc/84/11/73/1351841173.db2.gz SFULMOHYFABCIG-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609095835 1351841180 /nfs/dbraw/zinc/84/11/80/1351841180.db2.gz SFULMOHYFABCIG-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609095835 1351841182 /nfs/dbraw/zinc/84/11/82/1351841182.db2.gz SFULMOHYFABCIG-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609095835 1351841183 /nfs/dbraw/zinc/84/11/83/1351841183.db2.gz SFULMOHYFABCIG-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001609113897 1351849351 /nfs/dbraw/zinc/84/93/51/1351849351.db2.gz LOPPIBOWGXFZBP-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN COC[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319587 1351932130 /nfs/dbraw/zinc/93/21/30/1351932130.db2.gz GZTJIDOQDXRHIB-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319587 1351932132 /nfs/dbraw/zinc/93/21/32/1351932132.db2.gz GZTJIDOQDXRHIB-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319587 1351932136 /nfs/dbraw/zinc/93/21/36/1351932136.db2.gz GZTJIDOQDXRHIB-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319587 1351932138 /nfs/dbraw/zinc/93/21/38/1351932138.db2.gz GZTJIDOQDXRHIB-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260757 1349236796 /nfs/dbraw/zinc/23/67/96/1349236796.db2.gz RVCAGJCTDYFNAB-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260757 1349236799 /nfs/dbraw/zinc/23/67/99/1349236799.db2.gz RVCAGJCTDYFNAB-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260757 1349236806 /nfs/dbraw/zinc/23/68/06/1349236806.db2.gz RVCAGJCTDYFNAB-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260757 1349236813 /nfs/dbraw/zinc/23/68/13/1349236813.db2.gz RVCAGJCTDYFNAB-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470460 1349344394 /nfs/dbraw/zinc/34/43/94/1349344394.db2.gz QIJFDWUAZLBBJD-AWEZNQCLSA-N 0 3 346.391 2.070 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470460 1349344400 /nfs/dbraw/zinc/34/44/00/1349344400.db2.gz QIJFDWUAZLBBJD-AWEZNQCLSA-N 0 3 346.391 2.070 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603777813 1350765807 /nfs/dbraw/zinc/76/58/07/1350765807.db2.gz QWSIDDCFIGRHJN-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603777813 1350765812 /nfs/dbraw/zinc/76/58/12/1350765812.db2.gz QWSIDDCFIGRHJN-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603777813 1350765814 /nfs/dbraw/zinc/76/58/14/1350765814.db2.gz QWSIDDCFIGRHJN-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603777813 1350765819 /nfs/dbraw/zinc/76/58/19/1350765819.db2.gz QWSIDDCFIGRHJN-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000828833524 1372252790 /nfs/dbraw/zinc/25/27/90/1372252790.db2.gz HFYVDVSSDCSVGY-NSHDSACASA-N 0 3 338.383 2.014 20 5 EEBDHN CC(COC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000847714000 1373001925 /nfs/dbraw/zinc/00/19/25/1373001925.db2.gz HTNFZHKIDQCEPL-BFQNTYOBSA-N 0 3 342.392 2.232 20 5 EEBDHN CCc1nn(C)c(CC)c1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190825 785455626 /nfs/dbraw/zinc/45/56/26/785455626.db2.gz LAJYWTNBGZBRMI-KRWDZBQOSA-N 0 3 332.404 2.276 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107280802 786700814 /nfs/dbraw/zinc/70/08/14/786700814.db2.gz VDMJWYBZMJWWPV-WAYWQWQTSA-N 0 3 334.420 2.329 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107280691 786700894 /nfs/dbraw/zinc/70/08/94/786700894.db2.gz RRDHGQJJLWXSER-AATRIKPKSA-N 0 3 334.420 2.329 20 5 EEBDHN Cc1cc(NC/C=C\CNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001107379297 787068796 /nfs/dbraw/zinc/06/87/96/787068796.db2.gz FPZZRBFTCWIZTR-PLNGDYQASA-N 0 3 346.431 2.472 20 5 EEBDHN CC([C@H](OC(=O)COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875945 789972005 /nfs/dbraw/zinc/97/20/05/789972005.db2.gz MCTXUYRLGFZNIC-ZBEGNZNMSA-N 0 3 341.335 2.271 20 5 EEBDHN CC([C@@H](OC(=O)CN1CCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881843 789973815 /nfs/dbraw/zinc/97/38/15/789973815.db2.gz MIXUVAVSGFMWBP-MEDUHNTESA-N 0 3 338.335 2.088 20 5 EEBDHN COCc1ccsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147743356 791940737 /nfs/dbraw/zinc/94/07/37/791940737.db2.gz GGNXWMRWRMAMED-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN O=C(CCc1ccccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148825853 792702121 /nfs/dbraw/zinc/70/21/21/792702121.db2.gz NCEXBJAWTDQIQV-UHFFFAOYSA-N 0 3 327.384 2.433 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110148425 795619441 /nfs/dbraw/zinc/61/94/41/795619441.db2.gz AHDPOFIRLXIWST-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)CN(C)C(C)C)CC2)n1 ZINC001095228586 797552131 /nfs/dbraw/zinc/55/21/31/797552131.db2.gz LHBUOUARHFCJCZ-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000916967669 798003186 /nfs/dbraw/zinc/00/31/86/798003186.db2.gz UJSISICWUXFHTI-LSDHHAIUSA-N 0 3 338.310 2.230 20 5 EEBDHN Cc1nc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001130273515 811387140 /nfs/dbraw/zinc/38/71/40/811387140.db2.gz UFVRSTFHAUAFTR-UHFFFAOYSA-N 0 3 348.428 2.117 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807786973 812346083 /nfs/dbraw/zinc/34/60/83/812346083.db2.gz NFURFBUNWNPQPK-HNNXBMFYSA-N 0 3 346.362 2.349 20 5 EEBDHN C[C@@H](c1nnc(N2CCN(C3CCCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001527142575 1120689955 /nfs/dbraw/zinc/68/99/55/1120689955.db2.gz QHBDDWGNNDWQKO-ZDUSSCGKSA-N 0 3 348.451 2.090 20 5 EEBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171730864 529467001 /nfs/dbraw/zinc/46/70/01/529467001.db2.gz LOBOVOKOPFWAIE-LLVKDONJSA-N 0 3 337.424 2.121 20 5 EEBDHN C[C@@](CO)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000174793959 231313004 /nfs/dbraw/zinc/31/30/04/231313004.db2.gz UTCZEJKHEITNSG-KRWDZBQOSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1nn(C)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187190401 282255790 /nfs/dbraw/zinc/25/57/90/282255790.db2.gz CLKHLCUTCRTZCL-RISCZKNCSA-N 0 3 345.403 2.058 20 5 EEBDHN CN(CCNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000183578521 529915291 /nfs/dbraw/zinc/91/52/91/529915291.db2.gz IUNGKLJUPGQJQG-UHFFFAOYSA-N 0 3 329.360 2.243 20 5 EEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000101958561 219175147 /nfs/dbraw/zinc/17/51/47/219175147.db2.gz JUJHDLRAZKFAMF-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750002 245235294 /nfs/dbraw/zinc/23/52/94/245235294.db2.gz HFRNLVNQIGWREX-CABCVRRESA-N 0 3 333.388 2.389 20 5 EEBDHN COC(=O)[C@H]1CC12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265103330 247204991 /nfs/dbraw/zinc/20/49/91/247204991.db2.gz YGDLMDQCWKTPGN-OAHLLOKOSA-N 0 3 334.372 2.249 20 5 EEBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265139215 247240041 /nfs/dbraw/zinc/24/00/41/247240041.db2.gz BDGJEIUTHWGAIS-AWEZNQCLSA-N 0 3 328.372 2.317 20 5 EEBDHN CC(COC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000496143220 247345196 /nfs/dbraw/zinc/34/51/96/247345196.db2.gz RAKPFEHPWUBAOJ-VIFPVBQESA-N 0 3 328.321 2.126 20 5 EEBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266142354 248127299 /nfs/dbraw/zinc/12/72/99/248127299.db2.gz HQFQFIPYPZOIMR-UHFFFAOYSA-N 0 3 334.376 2.448 20 5 EEBDHN COc1ccc([C@H](CO)N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000154275546 224230297 /nfs/dbraw/zinc/23/02/97/224230297.db2.gz YEGDYCPLEIOQHU-ZWKOTPCHSA-N 0 3 346.383 2.302 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000273327157 256287459 /nfs/dbraw/zinc/28/74/59/256287459.db2.gz YGNLXGSLVYEMNV-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273027479 256258122 /nfs/dbraw/zinc/25/81/22/256258122.db2.gz FOVYWDGSKYPTSB-IAGOWNOFSA-N 0 3 349.387 2.089 20 5 EEBDHN C[C@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@H]1C1CC1 ZINC000273043696 256259915 /nfs/dbraw/zinc/25/99/15/256259915.db2.gz IZWTWSPCQJAEIE-ROUUACIJSA-N 0 3 345.399 2.031 20 5 EEBDHN CCCC[C@H](COC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273439917 256296649 /nfs/dbraw/zinc/29/66/49/256296649.db2.gz MOWBIRKESRCSFI-CYBMUJFWSA-N 0 3 344.433 2.163 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593393 159120294 /nfs/dbraw/zinc/12/02/94/159120294.db2.gz MQIPTTSBWRDEBR-LBPRGKRZSA-N 0 3 337.424 2.121 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000110260462 159357567 /nfs/dbraw/zinc/35/75/67/159357567.db2.gz ZCCVDFWFVZXBCD-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1c(C(=O)NCCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000237783923 160225162 /nfs/dbraw/zinc/22/51/62/160225162.db2.gz XDPLMEQTTQRNNU-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000245395342 160230908 /nfs/dbraw/zinc/23/09/08/160230908.db2.gz HNIKWDRUFFWLPO-XJKSGUPXSA-N 0 3 332.404 2.092 20 5 EEBDHN C[C@H](c1ccncc1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245699985 160248447 /nfs/dbraw/zinc/24/84/47/160248447.db2.gz NCVVFRRLJXSEFK-CZUORRHYSA-N 0 3 331.372 2.423 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC[C@H]1C ZINC000342850817 161095665 /nfs/dbraw/zinc/09/56/65/161095665.db2.gz CBAUJZLYYJOQPV-MNOVXSKESA-N 0 3 338.383 2.309 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000344750424 161242735 /nfs/dbraw/zinc/24/27/35/161242735.db2.gz VHQZPHJMDXNUFA-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000345852251 161337485 /nfs/dbraw/zinc/33/74/85/161337485.db2.gz ANTWRKMSBGWCFI-LBPRGKRZSA-N 0 3 337.424 2.265 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000286923867 274919063 /nfs/dbraw/zinc/91/90/63/274919063.db2.gz IQAJAVHBHIOPHA-NSHDSACASA-N 0 3 341.433 2.013 20 5 EEBDHN COCCN1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289621382 275133352 /nfs/dbraw/zinc/13/33/52/275133352.db2.gz JVYCNAFFSBNBIU-SNVBAGLBSA-N 0 3 342.783 2.090 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289705347 275140940 /nfs/dbraw/zinc/14/09/40/275140940.db2.gz OOLBATWJYXXYOL-UHFFFAOYSA-N 0 3 344.799 2.290 20 5 EEBDHN CSC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000290779941 275238883 /nfs/dbraw/zinc/23/88/83/275238883.db2.gz CEMSFIIMMLREDQ-UHFFFAOYSA-N 0 3 344.458 2.244 20 5 EEBDHN CN1CCC(O)(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290923495 275252881 /nfs/dbraw/zinc/25/28/81/275252881.db2.gz QUVCZMJUESDQRD-UHFFFAOYSA-N 0 3 348.230 2.448 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291621974 275323789 /nfs/dbraw/zinc/32/37/89/275323789.db2.gz CTWJIVDHRQBRDB-MOPGFXCFSA-N 0 3 342.395 2.264 20 5 EEBDHN C[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291672809 275328407 /nfs/dbraw/zinc/32/84/07/275328407.db2.gz QIIWXFUTIBHFLS-CXAGYDPISA-N 0 3 332.404 2.393 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CC[C@@H](CO)O3)o2)cc1 ZINC000292761149 275475823 /nfs/dbraw/zinc/47/58/23/275475823.db2.gz RZCYHGGCJUOYQR-ZBFHGGJFSA-N 0 3 332.356 2.484 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932789 288075686 /nfs/dbraw/zinc/07/56/86/288075686.db2.gz GUYXHVDVHOHSNR-RISCZKNCSA-N 0 3 330.388 2.488 20 5 EEBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000236723718 279069468 /nfs/dbraw/zinc/06/94/68/279069468.db2.gz XEQCWTVQWGTNMS-ZDUSSCGKSA-N 0 3 349.840 2.290 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000152556211 290182016 /nfs/dbraw/zinc/18/20/16/290182016.db2.gz PCJVEOMXKJXUJN-UKRRQHHQSA-N 0 3 344.415 2.400 20 5 EEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009818 292882654 /nfs/dbraw/zinc/88/26/54/292882654.db2.gz GFVKVIREFIXMGK-NWDGAFQWSA-N 0 3 337.376 2.019 20 5 EEBDHN Nc1c(C(=O)N2CCC[C@@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000176432352 303491649 /nfs/dbraw/zinc/49/16/49/303491649.db2.gz CHLKZARZQAFDOS-CYBMUJFWSA-N 0 3 332.404 2.268 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000328491616 311606044 /nfs/dbraw/zinc/60/60/44/311606044.db2.gz XSEIEBAGKCBPMX-LSDHHAIUSA-N 0 3 325.368 2.470 20 5 EEBDHN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173727 312810345 /nfs/dbraw/zinc/81/03/45/312810345.db2.gz SLVQLJFECOECFT-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416475807 313232572 /nfs/dbraw/zinc/23/25/72/313232572.db2.gz VRCZCWUOSJOMCO-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCN1C ZINC000421001331 314020079 /nfs/dbraw/zinc/02/00/79/314020079.db2.gz LDWIMRCEFPTISK-AWEZNQCLSA-N 0 3 331.376 2.171 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000515642405 316510116 /nfs/dbraw/zinc/51/01/16/316510116.db2.gz GIUAMGMLDKWVKM-INIZCTEOSA-N 0 3 341.367 2.107 20 5 EEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086177 318353166 /nfs/dbraw/zinc/35/31/66/318353166.db2.gz WUTDQNAXQPTLSB-GFCCVEGCSA-N 0 3 343.387 2.273 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(OCCO)CCOCC1 ZINC000554572983 318564902 /nfs/dbraw/zinc/56/49/02/318564902.db2.gz PMBPTWPDHJNWQM-AWEZNQCLSA-N 0 3 338.404 2.112 20 5 EEBDHN CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000565489286 319187682 /nfs/dbraw/zinc/18/76/82/319187682.db2.gz RVRPIHOUVOAVCB-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN CC1CCN(C[C@@H](O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571554661 319766121 /nfs/dbraw/zinc/76/61/21/319766121.db2.gz GSZLUZPBTARTTE-HNNXBMFYSA-N 0 3 348.447 2.373 20 5 EEBDHN C[C@@]1(F)CNCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000576403500 320168985 /nfs/dbraw/zinc/16/89/85/320168985.db2.gz VMQOYXQJECNCLY-QGZVFWFLSA-N 0 3 348.378 2.426 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000581996148 324357631 /nfs/dbraw/zinc/35/76/31/324357631.db2.gz NIOYVQMEIZRNHU-HNNXBMFYSA-N 0 3 332.404 2.283 20 5 EEBDHN Cc1c(Br)c(NC[C@@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC000603421022 450294243 /nfs/dbraw/zinc/29/42/43/450294243.db2.gz XHQOIUCJGDEGMK-MRVPVSSYSA-N 0 3 347.238 2.178 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@@H]3CO2)ccc2ncccc21 ZINC000325861806 465032542 /nfs/dbraw/zinc/03/25/42/465032542.db2.gz YKCLQSXKOYSHQD-OLZOCXBDSA-N 0 3 328.372 2.418 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc2ncccc21 ZINC000325861805 465032652 /nfs/dbraw/zinc/03/26/52/465032652.db2.gz YKCLQSXKOYSHQD-CHWSQXEVSA-N 0 3 328.372 2.418 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354577940 465034997 /nfs/dbraw/zinc/03/49/97/465034997.db2.gz PTRRRFAHDUWZDW-GXTWGEPZSA-N 0 3 341.433 2.088 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@H]2CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863791 465200537 /nfs/dbraw/zinc/20/05/37/465200537.db2.gz YEBSAFBZZQHHLR-WBVHZDCISA-N 0 3 347.394 2.031 20 5 EEBDHN CN(C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000337254655 465269306 /nfs/dbraw/zinc/26/93/06/465269306.db2.gz MKWSGEWCTFUABY-UHFFFAOYSA-N 0 3 332.360 2.126 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(C)C)CC1 ZINC000045779331 462616823 /nfs/dbraw/zinc/61/68/23/462616823.db2.gz CLWVXBYBLFGLMV-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000064722388 462717222 /nfs/dbraw/zinc/71/72/22/462717222.db2.gz ZAZPOGAYGMZHPE-JTQLQIEISA-N 0 3 341.795 2.226 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000068341681 463123107 /nfs/dbraw/zinc/12/31/07/463123107.db2.gz ANPGCQNRQYUKHI-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(C)CC1 ZINC000068902201 463188117 /nfs/dbraw/zinc/18/81/17/463188117.db2.gz ZJYCFMGQLBHWKS-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN Nc1nc(NC[C@H](c2ccccc2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000079814458 463252120 /nfs/dbraw/zinc/25/21/20/463252120.db2.gz TXBMANQULDWHNG-CYBMUJFWSA-N 0 3 328.376 2.216 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000043893248 463661709 /nfs/dbraw/zinc/66/17/09/463661709.db2.gz HDXMKYNRVFMFIV-CQSZACIVSA-N 0 3 349.435 2.038 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112363841 463699939 /nfs/dbraw/zinc/69/99/39/463699939.db2.gz BWTWSEUCLKWJKV-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286866800 463727966 /nfs/dbraw/zinc/72/79/66/463727966.db2.gz CSIWBYVIDYSLAD-JTQLQIEISA-N 0 3 334.401 2.398 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193826564 463745436 /nfs/dbraw/zinc/74/54/36/463745436.db2.gz RMZFKXOGYWEZSY-CQSZACIVSA-N 0 3 334.420 2.311 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC000261694353 463830299 /nfs/dbraw/zinc/83/02/99/463830299.db2.gz OAQJMALMUZVZFA-INIZCTEOSA-N 0 3 325.368 2.141 20 5 EEBDHN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000261834351 463873614 /nfs/dbraw/zinc/87/36/14/463873614.db2.gz UBCISMBALVUFLI-JKSUJKDBSA-N 0 3 325.368 2.470 20 5 EEBDHN CN1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185817863 463885425 /nfs/dbraw/zinc/88/54/25/463885425.db2.gz ZAKWKHASAVZQBZ-LLVKDONJSA-N 0 3 340.811 2.389 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447006 463887990 /nfs/dbraw/zinc/88/79/90/463887990.db2.gz KNQZLXANVLJILC-GHMZBOCLSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000278762940 463981976 /nfs/dbraw/zinc/98/19/76/463981976.db2.gz NTSQCJLUDCPATQ-NSHDSACASA-N 0 3 340.811 2.333 20 5 EEBDHN COCC1(N(C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000591021530 468394395 /nfs/dbraw/zinc/39/43/95/468394395.db2.gz XVTKSYGGMOKSDQ-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN COCC1(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000591021409 468394799 /nfs/dbraw/zinc/39/47/99/468394799.db2.gz IUCAPVODEMILRF-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284329101 464152259 /nfs/dbraw/zinc/15/22/59/464152259.db2.gz INGMAGDKDWJREY-MNOVXSKESA-N 0 3 336.367 2.015 20 5 EEBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179751330 464180572 /nfs/dbraw/zinc/18/05/72/464180572.db2.gz PTRRRMYWIYMVRJ-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000284424852 464186562 /nfs/dbraw/zinc/18/65/62/464186562.db2.gz OXTRISZEABWKPL-NWDGAFQWSA-N 0 3 333.388 2.349 20 5 EEBDHN CC(C)C[C@H](CNCc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000236637035 464216006 /nfs/dbraw/zinc/21/60/06/464216006.db2.gz FVINHVBDMUHDPX-CQSZACIVSA-N 0 3 327.450 2.493 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CCN(C)CC1 ZINC000271980428 464435000 /nfs/dbraw/zinc/43/50/00/464435000.db2.gz OMLYUQUNUYVKIL-LBPRGKRZSA-N 0 3 335.429 2.454 20 5 EEBDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381610 464543989 /nfs/dbraw/zinc/54/39/89/464543989.db2.gz ABLJQNQLLZQLBU-SWLSCSKDSA-N 0 3 335.404 2.209 20 5 EEBDHN COc1cc(CN[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399262 464592569 /nfs/dbraw/zinc/59/25/69/464592569.db2.gz JSPPVTYYQHWZLH-VIFPVBQESA-N 0 3 334.319 2.108 20 5 EEBDHN Cn1ccnc1[C@@H](NC[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518822 464641957 /nfs/dbraw/zinc/64/19/57/464641957.db2.gz KSLCREBYPZMVFP-CVEARBPZSA-N 0 3 329.404 2.102 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000265917358 464731860 /nfs/dbraw/zinc/73/18/60/464731860.db2.gz KFHQBFYWJKWMTO-UHFFFAOYSA-N 0 3 345.424 2.485 20 5 EEBDHN CC[C@@H]1c2ccsc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457344 464774210 /nfs/dbraw/zinc/77/42/10/464774210.db2.gz PLGVXMAJHKWPQE-GXTWGEPZSA-N 0 3 336.417 2.223 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266697927 464792022 /nfs/dbraw/zinc/79/20/22/464792022.db2.gz GHPMZPIRZBQXSD-HNNXBMFYSA-N 0 3 334.420 2.311 20 5 EEBDHN Cc1ccc([C@@H](C)NCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282665240 464902577 /nfs/dbraw/zinc/90/25/77/464902577.db2.gz IVIARBPMDCRPRM-CQSZACIVSA-N 0 3 338.404 2.112 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249712591 464906096 /nfs/dbraw/zinc/90/60/96/464906096.db2.gz YZHSBIIIBLSJHZ-RISCZKNCSA-N 0 3 335.404 2.324 20 5 EEBDHN CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C(C)(C)C1 ZINC000295637150 464912300 /nfs/dbraw/zinc/91/23/00/464912300.db2.gz CZPBRQBUPHJFFI-UHFFFAOYSA-N 0 3 343.387 2.151 20 5 EEBDHN COc1cc(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000276572917 464984933 /nfs/dbraw/zinc/98/49/33/464984933.db2.gz FFZSGQYHIDRGRW-UHFFFAOYSA-N 0 3 335.404 2.468 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343477502 465519762 /nfs/dbraw/zinc/51/97/62/465519762.db2.gz CRHLFZIMMVWNQW-ZFWWWQNUSA-N 0 3 346.431 2.408 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000343801752 465555475 /nfs/dbraw/zinc/55/54/75/465555475.db2.gz DCNSUNAGZIBBOI-FZMZJTMJSA-N 0 3 330.392 2.379 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000361011777 465702423 /nfs/dbraw/zinc/70/24/23/465702423.db2.gz DBEICSIDDSLVTC-STQMWFEESA-N 0 3 339.465 2.136 20 5 EEBDHN CCN1CCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447457 465890122 /nfs/dbraw/zinc/89/01/22/465890122.db2.gz MAMRQADXVNFXTP-IAGOWNOFSA-N 0 3 343.431 2.492 20 5 EEBDHN CCc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000362638725 465901957 /nfs/dbraw/zinc/90/19/57/465901957.db2.gz UDKWCIISCSJJRM-UHFFFAOYSA-N 0 3 326.356 2.450 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166683 465953262 /nfs/dbraw/zinc/95/32/62/465953262.db2.gz SAOANSKCSPKOHI-ZQIUZPCESA-N 0 3 331.416 2.326 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000301431528 465962545 /nfs/dbraw/zinc/96/25/45/465962545.db2.gz VPVVFNULQFVEMN-CQSZACIVSA-N 0 3 346.387 2.226 20 5 EEBDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451357 466089933 /nfs/dbraw/zinc/08/99/33/466089933.db2.gz ZEHDOOYXWHVFJN-GDLVEWKHSA-N 0 3 335.379 2.436 20 5 EEBDHN COC(=O)C(C)(C)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338544448 466209655 /nfs/dbraw/zinc/20/96/55/466209655.db2.gz AQKLXDHKGJBGIO-GFCCVEGCSA-N 0 3 336.392 2.065 20 5 EEBDHN CC[C@H](C)N(C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318591360 466588912 /nfs/dbraw/zinc/58/89/12/466588912.db2.gz DZXVRRYMYPOKLY-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN CC(C)N1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000322452116 466632767 /nfs/dbraw/zinc/63/27/67/466632767.db2.gz DPWLFMDBPSIZEH-LBPRGKRZSA-N 0 3 341.433 2.141 20 5 EEBDHN CN1CCC(n2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000369690901 466745513 /nfs/dbraw/zinc/74/55/13/466745513.db2.gz FURHASVKJVXIHC-UHFFFAOYSA-N 0 3 344.375 2.702 20 5 EEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCOCC1 ZINC000412093814 467005323 /nfs/dbraw/zinc/00/53/23/467005323.db2.gz OQMIOPLMJNVUTL-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554930 467110913 /nfs/dbraw/zinc/11/09/13/467110913.db2.gz PKZMHFZSDKUIET-QGZVFWFLSA-N 0 3 347.415 2.038 20 5 EEBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000425618781 467115881 /nfs/dbraw/zinc/11/58/81/467115881.db2.gz GEWCRXKXRMIDKB-CQSZACIVSA-N 0 3 342.399 2.457 20 5 EEBDHN CN1CCC[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000413434360 467241503 /nfs/dbraw/zinc/24/15/03/467241503.db2.gz FXGRHVODUXYUDK-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@H](CN1CCOCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548025 467259744 /nfs/dbraw/zinc/25/97/44/467259744.db2.gz LZTKYEONPSBXAL-WBVHZDCISA-N 0 3 333.432 2.495 20 5 EEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCC1 ZINC000452725910 467414779 /nfs/dbraw/zinc/41/47/79/467414779.db2.gz FILRTSNKZMEBGN-UHFFFAOYSA-N 0 3 343.387 2.102 20 5 EEBDHN CC1CCC(N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420599551 467432089 /nfs/dbraw/zinc/43/20/89/467432089.db2.gz LGVVHVJCRGPPOV-UHFFFAOYSA-N 0 3 346.431 2.394 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436405225 467534986 /nfs/dbraw/zinc/53/49/86/467534986.db2.gz PCTOCLLVVSZKGN-JTQLQIEISA-N 0 3 348.325 2.166 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450259418 467810761 /nfs/dbraw/zinc/81/07/61/467810761.db2.gz WMNPLEBERBSPOH-AWEZNQCLSA-N 0 3 343.431 2.581 20 5 EEBDHN CC(C)[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1C ZINC000487947021 468062228 /nfs/dbraw/zinc/06/22/28/468062228.db2.gz KUPPGKQCIIEVFP-INIZCTEOSA-N 0 3 335.404 2.233 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594235245 468523688 /nfs/dbraw/zinc/52/36/88/468523688.db2.gz UNTPPHXROYKWIV-IAGOWNOFSA-N 0 3 346.431 2.453 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594235247 468523783 /nfs/dbraw/zinc/52/37/83/468523783.db2.gz UNTPPHXROYKWIV-SJORKVTESA-N 0 3 346.431 2.453 20 5 EEBDHN C[C@H](O)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594615059 468636796 /nfs/dbraw/zinc/63/67/96/468636796.db2.gz LLXMIRBOBRFSBV-LBPRGKRZSA-N 0 3 330.388 2.341 20 5 EEBDHN Cc1nc(C)c(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000583199236 468660840 /nfs/dbraw/zinc/66/08/40/468660840.db2.gz FBBVPSZRBRSSFW-ZDUSSCGKSA-N 0 3 337.401 2.198 20 5 EEBDHN C[C@H](CN1CCCCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594914211 468722021 /nfs/dbraw/zinc/72/20/21/468722021.db2.gz FSRGPFVGEXLNOJ-CYBMUJFWSA-N 0 3 335.404 2.330 20 5 EEBDHN CCCN1CC[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097586 468758062 /nfs/dbraw/zinc/75/80/62/468758062.db2.gz YALXYQOTNSFSEV-WBVHZDCISA-N 0 3 343.431 2.492 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000583992239 468782920 /nfs/dbraw/zinc/78/29/20/468782920.db2.gz ZLOZOLWKTFYPRB-CVEARBPZSA-N 0 3 343.383 2.219 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000560363496 468790960 /nfs/dbraw/zinc/79/09/60/468790960.db2.gz LEBCFSJNDOPCBB-LBPRGKRZSA-N 0 3 328.372 2.215 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598265960 468811721 /nfs/dbraw/zinc/81/17/21/468811721.db2.gz WTOROEWJVFVGSG-LLVKDONJSA-N 0 3 338.383 2.166 20 5 EEBDHN CN(CCN1CCCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593111905 468874739 /nfs/dbraw/zinc/87/47/39/468874739.db2.gz CDFZYZBNFVEOKU-UHFFFAOYSA-N 0 3 335.404 2.379 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593133245 468882384 /nfs/dbraw/zinc/88/23/84/468882384.db2.gz SNLHXKQILUVGAL-YUMQZZPRSA-N 0 3 336.270 2.014 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598590866 468925303 /nfs/dbraw/zinc/92/53/03/468925303.db2.gz RJVGHRCURZIPEB-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1nn(-c2cccc(C)c2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000593606646 469056096 /nfs/dbraw/zinc/05/60/96/469056096.db2.gz WHXSQUFCGNCLMC-UHFFFAOYSA-N 0 3 340.387 2.384 20 5 EEBDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593674539 469089892 /nfs/dbraw/zinc/08/98/92/469089892.db2.gz XENZSHZHNHHQOD-HUUCEWRRSA-N 0 3 332.356 2.436 20 5 EEBDHN Cc1c(CN)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1C ZINC000595960352 469097159 /nfs/dbraw/zinc/09/71/59/469097159.db2.gz CUVAMISQCUWZDP-UHFFFAOYSA-N 0 3 345.403 2.645 20 5 EEBDHN O=[N+]([O-])c1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nc1C1CC1 ZINC000601958895 469113120 /nfs/dbraw/zinc/11/31/20/469113120.db2.gz OWMMIUALLUKYAN-SFHVURJKSA-N 0 3 342.399 2.306 20 5 EEBDHN Cn1cc(CN2C[C@@H]3COC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601978108 469124356 /nfs/dbraw/zinc/12/43/56/469124356.db2.gz XLGXXSXDEZSYPB-GASCZTMLSA-N 0 3 328.372 2.074 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cn[nH]c2C1 ZINC000611008763 469138555 /nfs/dbraw/zinc/13/85/55/469138555.db2.gz JXMRPIDCYANYMV-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN C[NH+](C)CCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596081498 469145729 /nfs/dbraw/zinc/14/57/29/469145729.db2.gz ZFQJBZHLFPLCGV-UHFFFAOYSA-N 0 3 332.360 2.248 20 5 EEBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596177186 469187898 /nfs/dbraw/zinc/18/78/98/469187898.db2.gz CMUWMMQDNUIJIQ-JSGCOSHPSA-N 0 3 338.477 2.427 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337371 469246243 /nfs/dbraw/zinc/24/62/43/469246243.db2.gz VVURQZIICLASQY-NSHDSACASA-N 0 3 336.392 2.370 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCO[C@]4(CCOC4)C3)nc2c1 ZINC000602580885 469370564 /nfs/dbraw/zinc/37/05/64/469370564.db2.gz DYHYVYYNWMHNRN-MEDUHNTESA-N 0 3 333.344 2.164 20 5 EEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000604403077 469476969 /nfs/dbraw/zinc/47/69/69/469476969.db2.gz HOFCRFBUDBUOHW-AWEZNQCLSA-N 0 3 327.384 2.432 20 5 EEBDHN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCCCC1 ZINC000619571187 469640784 /nfs/dbraw/zinc/64/07/84/469640784.db2.gz SSKYQDXCZJECSA-UHFFFAOYSA-N 0 3 330.388 2.342 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609920457 469970530 /nfs/dbraw/zinc/97/05/30/469970530.db2.gz NFKWNGPJJCMAPG-OAHLLOKOSA-N 0 3 332.404 2.221 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(O)CCOCC1 ZINC000602540376 485642524 /nfs/dbraw/zinc/64/25/24/485642524.db2.gz NFDWEALKIUZPQK-UHFFFAOYSA-N 0 3 334.294 2.245 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccc3c2OCCO3)cc1 ZINC000731678965 577116166 /nfs/dbraw/zinc/11/61/66/577116166.db2.gz UDNPCLDFAOGHPP-OAHLLOKOSA-N 0 3 330.340 2.189 20 5 EEBDHN CO[C@H](CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291173 577393875 /nfs/dbraw/zinc/39/38/75/577393875.db2.gz CXGXFXJFNDESSP-HBNTYKKESA-N 0 3 336.314 2.442 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCCN1CCCCC1 ZINC000770360945 577594620 /nfs/dbraw/zinc/59/46/20/577594620.db2.gz JQRLILZLWRQKDL-UHFFFAOYSA-N 0 3 326.324 2.142 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCOc2ccc3c(c2)OCO3)c1 ZINC000749675389 577979694 /nfs/dbraw/zinc/97/96/94/577979694.db2.gz KWMMHCFQQLDJOF-OAHLLOKOSA-N 0 3 346.339 2.026 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000891814458 676843215 /nfs/dbraw/zinc/84/32/15/676843215.db2.gz FGQCDLGPHHLXDE-CQSZACIVSA-N 0 3 336.392 2.054 20 5 EEBDHN COc1c([O-])ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000891823016 676849813 /nfs/dbraw/zinc/84/98/13/676849813.db2.gz XETPWNWZMWOFRE-AWEZNQCLSA-N 0 3 335.404 2.369 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001020022056 683530911 /nfs/dbraw/zinc/53/09/11/683530911.db2.gz PVIRVNAGIAYCSQ-HAQNSBGRSA-N 0 3 332.385 2.102 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccon2)CC1 ZINC000985283731 686223369 /nfs/dbraw/zinc/22/33/69/686223369.db2.gz ZNXJMXMICVHHRU-UHFFFAOYSA-N 0 3 344.371 2.319 20 5 EEBDHN CCc1ncsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128895022 1195993120 /nfs/dbraw/zinc/99/31/20/1195993120.db2.gz WAMQEJWHVXVSEQ-UHFFFAOYSA-N 0 3 334.401 2.133 20 5 EEBDHN CC(C)CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550949 1199665659 /nfs/dbraw/zinc/66/56/59/1199665659.db2.gz IRAUUJNWQBTCPR-INIZCTEOSA-N 0 3 334.420 2.007 20 5 EEBDHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813104646 1201096983 /nfs/dbraw/zinc/09/69/83/1201096983.db2.gz PMKPNIWDVNOGFD-CABCVRRESA-N 0 3 348.399 2.364 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778261757 1208005727 /nfs/dbraw/zinc/00/57/27/1208005727.db2.gz PLEYEOZJYMBQNJ-ZDUSSCGKSA-N 0 3 339.342 2.287 20 5 EEBDHN COCCN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000194348776 1211165749 /nfs/dbraw/zinc/16/57/49/1211165749.db2.gz FSLXMZWZRHMPID-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN Cc1cccnc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020055313 1229462945 /nfs/dbraw/zinc/46/29/45/1229462945.db2.gz LUPVQICRCXEVMA-SHTZXODSSA-N 0 3 340.383 2.349 20 5 EEBDHN CC(COC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000851036252 1277447773 /nfs/dbraw/zinc/44/77/73/1277447773.db2.gz GAKYHSWVEXVOBX-NSHDSACASA-N 0 3 339.344 2.229 20 5 EEBDHN C[C@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318657 1297629734 /nfs/dbraw/zinc/62/97/34/1297629734.db2.gz XWNVHOFICRYIHT-NHYWBVRUSA-N 0 3 329.356 2.090 20 5 EEBDHN CCOc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC001116206989 1305861896 /nfs/dbraw/zinc/86/18/96/1305861896.db2.gz KNXQZVWQHWHOLC-UHFFFAOYSA-N 0 3 334.376 2.331 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CCCN(CCCO)C3)sc2c1 ZINC000828461220 1314459866 /nfs/dbraw/zinc/45/98/66/1314459866.db2.gz OGLFWAWGNUZAJQ-NSHDSACASA-N 0 3 336.417 2.463 20 5 EEBDHN CCOCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001161222620 1315564183 /nfs/dbraw/zinc/56/41/83/1315564183.db2.gz NRJBDZMAERYCPQ-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CN1 ZINC000841857459 1315624985 /nfs/dbraw/zinc/62/49/85/1315624985.db2.gz ZKYDIMXBSPSBDM-ZJUUUORDSA-N 0 3 326.784 2.140 20 5 EEBDHN CC(COC(=O)c1c2ccc(Br)cc2nn1C)[N+](=O)[O-] ZINC000842801351 1315776015 /nfs/dbraw/zinc/77/60/15/1315776015.db2.gz HSRDVOJSOAALHB-SSDOTTSWSA-N 0 3 342.149 2.158 20 5 EEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842923575 1315799308 /nfs/dbraw/zinc/79/93/08/1315799308.db2.gz YJQVUEWGIIQTLU-UHFFFAOYSA-N 0 3 335.813 2.046 20 5 EEBDHN CCOCCCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153037266 1316764634 /nfs/dbraw/zinc/76/46/34/1316764634.db2.gz JTPBEJKTQPAAHG-UHFFFAOYSA-N 0 3 337.420 2.398 20 5 EEBDHN CCCCOCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155994344 1317820522 /nfs/dbraw/zinc/82/05/22/1317820522.db2.gz PVENRLWNODGMQN-UHFFFAOYSA-N 0 3 329.422 2.069 20 5 EEBDHN COC(=O)C[C@@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577553 1318128394 /nfs/dbraw/zinc/12/83/94/1318128394.db2.gz FMQMVSSVSUGYHW-NVXWUHKLSA-N 0 3 341.367 2.351 20 5 EEBDHN COCCCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165098027 1321454655 /nfs/dbraw/zinc/45/46/55/1321454655.db2.gz QJKRNSZHESMYNU-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN CCc1nocc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166126500 1321658787 /nfs/dbraw/zinc/65/87/87/1321658787.db2.gz BRVVSDNZLOFIKG-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3ccc(F)c(F)c3n2)c1 ZINC001308316476 1331583737 /nfs/dbraw/zinc/58/37/37/1331583737.db2.gz PAJNLYQJLBSCAO-UHFFFAOYSA-N 0 3 333.298 2.408 20 5 EEBDHN COC(=O)CCC(C)(C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308673407 1331600397 /nfs/dbraw/zinc/60/03/97/1331600397.db2.gz VEVMGTDDCTVFOU-UHFFFAOYSA-N 0 3 326.349 2.130 20 5 EEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC001318540549 1332557747 /nfs/dbraw/zinc/55/77/47/1332557747.db2.gz KNVYAWXVTYFWAC-ZFWWWQNUSA-N 0 3 341.433 2.054 20 5 EEBDHN CCCN1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323760713 1333532864 /nfs/dbraw/zinc/53/28/64/1333532864.db2.gz MLZCGXNWDMRAFY-HNNXBMFYSA-N 0 3 335.404 2.484 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001103644068 1371044629 /nfs/dbraw/zinc/04/46/29/1371044629.db2.gz FQUXAOWPJPPGPM-HDJSIYSDSA-N 0 3 349.435 2.171 20 5 EEBDHN CCN(CCNC(=O)C1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100642438 761120572 /nfs/dbraw/zinc/12/05/72/761120572.db2.gz XJHLPJDKMHCILG-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN CN(C)C1(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001107379918 787070999 /nfs/dbraw/zinc/07/09/99/787070999.db2.gz OXMBBAIBYNCRMV-ONEGZZNKSA-N 0 3 332.404 2.163 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000923299274 789321405 /nfs/dbraw/zinc/32/14/05/789321405.db2.gz RNFFNQCYAJAHLN-QWHCGFSZSA-N 0 3 328.372 2.385 20 5 EEBDHN O=C(C(F)F)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997448053 789930560 /nfs/dbraw/zinc/93/05/60/789930560.db2.gz DZBATDPWIFSNEL-UHFFFAOYSA-N 0 3 333.360 2.250 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(CC2CCOCC2)CC1 ZINC000172424227 791672745 /nfs/dbraw/zinc/67/27/45/791672745.db2.gz FWSPKJGEJFRFIW-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CC(C)CNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000915361101 795932142 /nfs/dbraw/zinc/93/21/42/795932142.db2.gz QFHDDRKTQPGNFF-UHFFFAOYSA-N 0 3 349.431 2.458 20 5 EEBDHN Cc1cc(NCCNC(=O)CN(C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC001094141366 795992497 /nfs/dbraw/zinc/99/24/97/795992497.db2.gz RPBBRHIBLVIWGW-UHFFFAOYSA-N 0 3 336.436 2.409 20 5 EEBDHN CC(C)=CC(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177824324 799115247 /nfs/dbraw/zinc/11/52/47/799115247.db2.gz JBBWYQFBFDDELM-UHFFFAOYSA-N 0 3 337.424 2.061 20 5 EEBDHN Cc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001130137549 811211251 /nfs/dbraw/zinc/21/12/51/811211251.db2.gz FKDQODCCFFNETJ-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN COCc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001130944421 812225195 /nfs/dbraw/zinc/22/51/95/812225195.db2.gz NTWAVLGRNGCICP-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])cc1Br ZINC001170573856 813021043 /nfs/dbraw/zinc/02/10/43/813021043.db2.gz LDNRPJHEEICGKS-ZANVPECISA-N 0 3 344.209 2.455 20 5 EEBDHN CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000164518096 529594914 /nfs/dbraw/zinc/59/49/14/529594914.db2.gz FTMCVCSYZKVSBI-MRXNPFEDSA-N 0 3 335.404 2.305 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908779 219171676 /nfs/dbraw/zinc/17/16/76/219171676.db2.gz JHTXRMRCZIPIJP-OAHLLOKOSA-N 0 3 349.431 2.458 20 5 EEBDHN C[C@H]1SCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000181895194 234370645 /nfs/dbraw/zinc/37/06/45/234370645.db2.gz RPPGQIFDFAEPST-UPJWGTAASA-N 0 3 326.418 2.160 20 5 EEBDHN CSc1cccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425065547 241118435 /nfs/dbraw/zinc/11/84/35/241118435.db2.gz LRHDQXHMAOPYDX-WCQYABFASA-N 0 3 335.429 2.483 20 5 EEBDHN C[C@H](N[C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617351 243178315 /nfs/dbraw/zinc/17/83/15/243178315.db2.gz XPYYBWKTGQQZRH-MZPVMMEZSA-N 0 3 347.415 2.309 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615596 243178491 /nfs/dbraw/zinc/17/84/91/243178491.db2.gz QCUVIHNHRBNADS-SUMWQHHRSA-N 0 3 330.388 2.358 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772195 245242028 /nfs/dbraw/zinc/24/20/28/245242028.db2.gz SBSNARMRFKKJPA-HZPDHXFCSA-N 0 3 345.399 2.031 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000266029561 248044877 /nfs/dbraw/zinc/04/48/77/248044877.db2.gz RMQMIOUKWPXTPY-QGZVFWFLSA-N 0 3 330.388 2.163 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000266398727 248281565 /nfs/dbraw/zinc/28/15/65/248281565.db2.gz PACNFFWVGKSSFK-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000266499857 248333045 /nfs/dbraw/zinc/33/30/45/248333045.db2.gz WVFKMTBGTGHKPC-JKSUJKDBSA-N 0 3 334.351 2.128 20 5 EEBDHN COCCN1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267377671 256053554 /nfs/dbraw/zinc/05/35/54/256053554.db2.gz RKQOPYBHEYMJQG-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN Cc1c(NC(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267203996 256037163 /nfs/dbraw/zinc/03/71/63/256037163.db2.gz RCACMNXGWATACF-HNNXBMFYSA-N 0 3 338.433 2.462 20 5 EEBDHN CN(C)[C@H]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220428 256038965 /nfs/dbraw/zinc/03/89/65/256038965.db2.gz CXUANUJURYIGPS-NEPJUHHUSA-N 0 3 341.433 2.283 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067988 256204618 /nfs/dbraw/zinc/20/46/18/256204618.db2.gz DLFZGROERHLTTA-NEPJUHHUSA-N 0 3 342.417 2.079 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127381 256211111 /nfs/dbraw/zinc/21/11/11/256211111.db2.gz KTXHEAZEOMNGKN-XHDPSFHLSA-N 0 3 334.376 2.111 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000272898167 256247438 /nfs/dbraw/zinc/24/74/38/256247438.db2.gz ZZCYECYOMTUESJ-CYBMUJFWSA-N 0 3 332.360 2.081 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342275187 161052659 /nfs/dbraw/zinc/05/26/59/161052659.db2.gz ALSASYZBFXLIQB-NEPJUHHUSA-N 0 3 326.324 2.127 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343542639 161145045 /nfs/dbraw/zinc/14/50/45/161145045.db2.gz YPXWIFXJRPACNT-IUODEOHRSA-N 0 3 330.388 2.148 20 5 EEBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000344120500 161200264 /nfs/dbraw/zinc/20/02/64/161200264.db2.gz ZVBMAORTWBLIKR-XZJROXQQSA-N 0 3 333.388 2.327 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000345840274 161336389 /nfs/dbraw/zinc/33/63/89/161336389.db2.gz HWHIWHCIVIAXEK-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000360805068 164383591 /nfs/dbraw/zinc/38/35/91/164383591.db2.gz YWGTZUVHTGIQSZ-LBPRGKRZSA-N 0 3 345.403 2.188 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000364984086 165341931 /nfs/dbraw/zinc/34/19/31/165341931.db2.gz SKNLPZDXTPAKGE-WBAXXEDZSA-N 0 3 333.432 2.495 20 5 EEBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368700455 166110829 /nfs/dbraw/zinc/11/08/29/166110829.db2.gz TVCKYMAATRVBFO-MRXNPFEDSA-N 0 3 343.431 2.425 20 5 EEBDHN COc1cccc(NC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370029911 166379931 /nfs/dbraw/zinc/37/99/31/166379931.db2.gz ULSVXXIESMIADT-UHFFFAOYSA-N 0 3 345.403 2.376 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000373805473 166960696 /nfs/dbraw/zinc/96/06/96/166960696.db2.gz DKIOZWUOHQOPRP-OWRWGESLSA-N 0 3 349.387 2.088 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375903641 167222321 /nfs/dbraw/zinc/22/23/21/167222321.db2.gz IMISSMUPNKPMHD-GOSISDBHSA-N 0 3 332.448 2.195 20 5 EEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520813 167342904 /nfs/dbraw/zinc/34/29/04/167342904.db2.gz XINYDKVKIDVESZ-WCQYABFASA-N 0 3 347.371 2.022 20 5 EEBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778588 268859268 /nfs/dbraw/zinc/85/92/68/268859268.db2.gz LDINLXZOLYSUEH-IUODEOHRSA-N 0 3 340.330 2.171 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272697290 269010484 /nfs/dbraw/zinc/01/04/84/269010484.db2.gz YBRDGMCFMBSBEL-BXUZGUMPSA-N 0 3 335.429 2.483 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000192799531 274271462 /nfs/dbraw/zinc/27/14/62/274271462.db2.gz KXLBGHYUTHZKCQ-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN CC1(C)C[C@@H](NC[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989263 274423536 /nfs/dbraw/zinc/42/35/36/274423536.db2.gz DPNYWBUAYZFXLM-IAQYHMDHSA-N 0 3 338.429 2.342 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153702 274439303 /nfs/dbraw/zinc/43/93/03/274439303.db2.gz ASWVAVPVRYFUFU-ZWNOBZJWSA-N 0 3 341.795 2.327 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850687 274803255 /nfs/dbraw/zinc/80/32/55/274803255.db2.gz PHRCQEDLPXSCRC-ZFWWWQNUSA-N 0 3 333.388 2.059 20 5 EEBDHN CC1CCN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])CC1 ZINC000236668272 281838396 /nfs/dbraw/zinc/83/83/96/281838396.db2.gz KXADLASDOAPNSS-UHFFFAOYSA-N 0 3 346.431 2.267 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000293127844 293132814 /nfs/dbraw/zinc/13/28/14/293132814.db2.gz RWWWSKKRQRSMMF-MRXNPFEDSA-N 0 3 335.404 2.228 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294076322 293364236 /nfs/dbraw/zinc/36/42/36/293364236.db2.gz JLBSRKSIEZUUMB-GOSISDBHSA-N 0 3 346.431 2.219 20 5 EEBDHN CN(C)[C@H]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861653 294904717 /nfs/dbraw/zinc/90/47/17/294904717.db2.gz DUROEIABPCFHOU-RYUDHWBXSA-N 0 3 341.433 2.283 20 5 EEBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000355374577 312395412 /nfs/dbraw/zinc/39/54/12/312395412.db2.gz VJDQEBFLFMIJKR-WOSRLPQWSA-N 0 3 333.388 2.105 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415768416 313182152 /nfs/dbraw/zinc/18/21/52/313182152.db2.gz VMGYSHIAEAEGRQ-HZMBPMFUSA-N 0 3 336.392 2.392 20 5 EEBDHN Cc1cc(NCCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000425265785 314368288 /nfs/dbraw/zinc/36/82/88/314368288.db2.gz XEBSQFXGTDREBN-UHFFFAOYSA-N 0 3 337.401 2.110 20 5 EEBDHN Cc1ccccc1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441280541 315178470 /nfs/dbraw/zinc/17/84/70/315178470.db2.gz SGGKCLXVUSOFMQ-QGZVFWFLSA-N 0 3 330.388 2.125 20 5 EEBDHN CC(COC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496840869 316291245 /nfs/dbraw/zinc/29/12/45/316291245.db2.gz TVBMFZKGXCFZAI-NEPJUHHUSA-N 0 3 330.381 2.232 20 5 EEBDHN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000531311273 317785871 /nfs/dbraw/zinc/78/58/71/317785871.db2.gz HITKHQIJQKTPQB-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN O=C(CN[C@H](CO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542912328 318147105 /nfs/dbraw/zinc/14/71/05/318147105.db2.gz WNWGLKDYRSPION-MRXNPFEDSA-N 0 3 347.415 2.015 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000548410832 318386900 /nfs/dbraw/zinc/38/69/00/318386900.db2.gz JMLTYVPZLXMNMY-LBPRGKRZSA-N 0 3 337.405 2.192 20 5 EEBDHN CCC(C)(C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567074137 319345655 /nfs/dbraw/zinc/34/56/55/319345655.db2.gz PKJMHGCVDXOGLJ-GFCCVEGCSA-N 0 3 343.449 2.287 20 5 EEBDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000581365272 324238063 /nfs/dbraw/zinc/23/80/63/324238063.db2.gz KXQXZAMTPOFZBW-KRWDZBQOSA-N 0 3 344.367 2.327 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000581996149 324357749 /nfs/dbraw/zinc/35/77/49/324357749.db2.gz NIOYVQMEIZRNHU-OAHLLOKOSA-N 0 3 332.404 2.283 20 5 EEBDHN CNC(=O)[C@H](CCSC)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475969 465533455 /nfs/dbraw/zinc/53/34/55/465533455.db2.gz FVZKMSQKUNEWTC-JSGCOSHPSA-N 0 3 339.461 2.373 20 5 EEBDHN CO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264539 465135122 /nfs/dbraw/zinc/13/51/22/465135122.db2.gz YLYDTGXEIYGKOI-ZBFHGGJFSA-N 0 3 338.404 2.081 20 5 EEBDHN COC(=O)c1ccnc(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000590585842 468279194 /nfs/dbraw/zinc/27/91/94/468279194.db2.gz QEANKJMVACBPKJ-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCCC1 ZINC000351822282 465383617 /nfs/dbraw/zinc/38/36/17/465383617.db2.gz NASGZJPBZGXJGK-UHFFFAOYSA-N 0 3 339.465 2.492 20 5 EEBDHN COc1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047119446 462745883 /nfs/dbraw/zinc/74/58/83/462745883.db2.gz JUWQPDBKZKAUEZ-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091482791 462884161 /nfs/dbraw/zinc/88/41/61/462884161.db2.gz YQABAKNRRRTOJD-NSHDSACASA-N 0 3 338.364 2.057 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119460318 462902886 /nfs/dbraw/zinc/90/28/86/462902886.db2.gz NPSZSBILTHHUMG-SECBINFHSA-N 0 3 342.193 2.039 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1CN1CCOCC1 ZINC000092217925 462935024 /nfs/dbraw/zinc/93/50/24/462935024.db2.gz VNDUMGOMTHETNG-ZNNBYXKUSA-N 0 3 331.416 2.405 20 5 EEBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000050573901 463001700 /nfs/dbraw/zinc/00/17/00/463001700.db2.gz QBSOIJVWYKUECW-SNVBAGLBSA-N 0 3 334.401 2.398 20 5 EEBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051909111 463053972 /nfs/dbraw/zinc/05/39/72/463053972.db2.gz DIQVCXSEHHZUNJ-OAHLLOKOSA-N 0 3 347.415 2.212 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CN2CCOCC2)CC1 ZINC000051960160 463055464 /nfs/dbraw/zinc/05/54/64/463055464.db2.gz DYAQJFOELGCWLN-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000137094821 463276757 /nfs/dbraw/zinc/27/67/57/463276757.db2.gz PWHNQVRPDUAZNA-DZGCQCFKSA-N 0 3 342.399 2.314 20 5 EEBDHN CN1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000162398002 463506395 /nfs/dbraw/zinc/50/63/95/463506395.db2.gz PGZZYCWZVPCLIQ-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000072637091 463528591 /nfs/dbraw/zinc/52/85/91/463528591.db2.gz ZWJADRJWEGKQBB-CVEARBPZSA-N 0 3 332.448 2.368 20 5 EEBDHN CCN1CCN([C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107369338 463567908 /nfs/dbraw/zinc/56/79/08/463567908.db2.gz NXGVHYGBCQCVSC-YJBOKZPZSA-N 0 3 332.448 2.368 20 5 EEBDHN Cc1nn(C)c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151955265 463621045 /nfs/dbraw/zinc/62/10/45/463621045.db2.gz AYYBRFYOEMDDIA-CQSZACIVSA-N 0 3 345.403 2.190 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@H](C)C1 ZINC000170774768 463704222 /nfs/dbraw/zinc/70/42/22/463704222.db2.gz HJYGCKVTEOWWDU-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN N[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000579581635 468378753 /nfs/dbraw/zinc/37/87/53/468378753.db2.gz OVAFASGYXLMAFG-HNNXBMFYSA-N 0 3 325.368 2.444 20 5 EEBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cnn(C)c1 ZINC000195518848 464067591 /nfs/dbraw/zinc/06/75/91/464067591.db2.gz HVBGEPLTEHRQMU-UHFFFAOYSA-N 0 3 345.403 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172428356 464078449 /nfs/dbraw/zinc/07/84/49/464078449.db2.gz NJTPTWSTTTWXDA-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263702473 464159425 /nfs/dbraw/zinc/15/94/25/464159425.db2.gz IYLDYNGYLHHEHV-HNNXBMFYSA-N 0 3 349.431 2.458 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280843510 464261394 /nfs/dbraw/zinc/26/13/94/464261394.db2.gz BZKSWLPRDPYBQO-CABCVRRESA-N 0 3 347.415 2.367 20 5 EEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000180825134 464403473 /nfs/dbraw/zinc/40/34/73/464403473.db2.gz YTGSAQGFOKYVOU-ZDUSSCGKSA-N 0 3 332.404 2.171 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264702980 464429376 /nfs/dbraw/zinc/42/93/76/464429376.db2.gz WXLNYKQOUZOCNM-RYUDHWBXSA-N 0 3 337.424 2.121 20 5 EEBDHN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294279359 464453731 /nfs/dbraw/zinc/45/37/31/464453731.db2.gz MFZITVKZSFPEBW-LLVKDONJSA-N 0 3 341.433 2.185 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294280669 464454000 /nfs/dbraw/zinc/45/40/00/464454000.db2.gz FIZSKABLIGHGBF-HNNXBMFYSA-N 0 3 333.388 2.158 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272138109 464493423 /nfs/dbraw/zinc/49/34/23/464493423.db2.gz ASKSJZQOHGQPCN-LRDDRELGSA-N 0 3 333.388 2.302 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181893576 464535936 /nfs/dbraw/zinc/53/59/36/464535936.db2.gz NDGFQISHWQSJKD-ZDUSSCGKSA-N 0 3 349.387 2.318 20 5 EEBDHN CN(C)C(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295074800 464696747 /nfs/dbraw/zinc/69/67/47/464696747.db2.gz DIVOFPXNWXCHQY-HNNXBMFYSA-N 0 3 335.404 2.009 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000285974105 464760962 /nfs/dbraw/zinc/76/09/62/464760962.db2.gz BLEODSCHDBZDCO-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000295411360 464821761 /nfs/dbraw/zinc/82/17/61/464821761.db2.gz SLMSPRHHMPDMPM-GFCCVEGCSA-N 0 3 332.404 2.042 20 5 EEBDHN COCCN1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276405567 464919244 /nfs/dbraw/zinc/91/92/44/464919244.db2.gz LISZRACPDXBNNA-ZDUSSCGKSA-N 0 3 336.392 2.054 20 5 EEBDHN CC[C@H](C)N[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000359547300 465446516 /nfs/dbraw/zinc/44/65/16/465446516.db2.gz RTYMJFGUFQRAFH-JSGCOSHPSA-N 0 3 349.391 2.020 20 5 EEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469011 465815741 /nfs/dbraw/zinc/81/57/41/465815741.db2.gz CLHBQNGLCBVCMW-WBVHZDCISA-N 0 3 330.388 2.416 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000357352148 465972195 /nfs/dbraw/zinc/97/21/95/465972195.db2.gz UHEHJRCQHYNKSX-JTQLQIEISA-N 0 3 341.795 2.226 20 5 EEBDHN CCC(C)(C)N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021535 468464410 /nfs/dbraw/zinc/46/44/10/468464410.db2.gz UJMIZLXFRSMFFU-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN Cc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019734 466080255 /nfs/dbraw/zinc/08/02/55/466080255.db2.gz NGZXOBHGDCLBHT-KBPBESRZSA-N 0 3 344.415 2.343 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000357859186 466268656 /nfs/dbraw/zinc/26/86/56/466268656.db2.gz HKQSOFRQJGQCFH-MLGOLLRUSA-N 0 3 345.403 2.058 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332019768 466348901 /nfs/dbraw/zinc/34/89/01/466348901.db2.gz FYLMSSCLXVOJCC-AAEUAGOBSA-N 0 3 330.388 2.218 20 5 EEBDHN COCCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854818 466351964 /nfs/dbraw/zinc/35/19/64/466351964.db2.gz BPGDMMJPZXLUSZ-CYBMUJFWSA-N 0 3 336.392 2.054 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332336553 466513983 /nfs/dbraw/zinc/51/39/83/466513983.db2.gz NZSRLFYWICGIEE-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2COc2ccc(F)cc2)n1 ZINC000374620754 466695583 /nfs/dbraw/zinc/69/55/83/466695583.db2.gz NZMXBRTXHVHFJZ-AWEZNQCLSA-N 0 3 334.351 2.474 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411965528 466950674 /nfs/dbraw/zinc/95/06/74/466950674.db2.gz AHXZWAIXAATRMV-DLBZAZTESA-N 0 3 325.368 2.296 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411985567 466958764 /nfs/dbraw/zinc/95/87/64/466958764.db2.gz DSVHTGKSUKUUSR-BBRMVZONSA-N 0 3 338.404 2.259 20 5 EEBDHN C[C@H](CN1CCOCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548023 467259705 /nfs/dbraw/zinc/25/97/05/467259705.db2.gz LZTKYEONPSBXAL-NVXWUHKLSA-N 0 3 333.432 2.495 20 5 EEBDHN CC[C@H](C)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000451847658 467272534 /nfs/dbraw/zinc/27/25/34/467272534.db2.gz STGWMIHKIRUFGG-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354982 467276688 /nfs/dbraw/zinc/27/66/88/467276688.db2.gz MGDAFDJCFAVDEP-QGZVFWFLSA-N 0 3 332.448 2.115 20 5 EEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000420594119 467431117 /nfs/dbraw/zinc/43/11/17/467431117.db2.gz YZAITXYDKMPKRT-CQSZACIVSA-N 0 3 340.383 2.380 20 5 EEBDHN Cc1nc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305808 467822540 /nfs/dbraw/zinc/82/25/40/467822540.db2.gz RLCSFSCRSVEGQW-STQMWFEESA-N 0 3 349.435 2.019 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCN1C ZINC000450789395 467908283 /nfs/dbraw/zinc/90/82/83/467908283.db2.gz GJXWYVOOLJNDDC-RISCZKNCSA-N 0 3 343.387 2.197 20 5 EEBDHN CC(=O)c1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000515637771 467999947 /nfs/dbraw/zinc/99/99/47/467999947.db2.gz WHJZOZFCLMVHCJ-QGZVFWFLSA-N 0 3 344.367 2.327 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1Cc1ccccc1 ZINC000531569453 468061544 /nfs/dbraw/zinc/06/15/44/468061544.db2.gz UFSPMVKZNJBHFI-HIFRSBDPSA-N 0 3 342.399 2.326 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590344985 468237559 /nfs/dbraw/zinc/23/75/59/468237559.db2.gz CDTYTGKFFWSHKO-CQSZACIVSA-N 0 3 335.404 2.468 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597715576 468648720 /nfs/dbraw/zinc/64/87/20/468648720.db2.gz MVHZIKRNGWBBKL-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CC(C)CNC(=O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370484 468828349 /nfs/dbraw/zinc/82/83/49/468828349.db2.gz GRXYIZFYYBXNGC-CQSZACIVSA-N 0 3 349.435 2.028 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000598341837 468836816 /nfs/dbraw/zinc/83/68/16/468836816.db2.gz GXIYYKPCVQFHCB-CYBMUJFWSA-N 0 3 343.387 2.199 20 5 EEBDHN CCN1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000595535050 468891208 /nfs/dbraw/zinc/89/12/08/468891208.db2.gz LPDADQHUUTZKFE-CYBMUJFWSA-N 0 3 335.404 2.377 20 5 EEBDHN C[C@@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000602689792 469013801 /nfs/dbraw/zinc/01/38/01/469013801.db2.gz ZBGPNEHWDSBITA-ZDUSSCGKSA-N 0 3 331.294 2.372 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(c2ccccc2)CC1 ZINC000602769743 469062204 /nfs/dbraw/zinc/06/22/04/469062204.db2.gz WGAGYATWGIEOHW-UHFFFAOYSA-N 0 3 329.404 2.312 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@@H]1CCc2ccccc21 ZINC000602777781 469067066 /nfs/dbraw/zinc/06/70/66/469067066.db2.gz LKXMDXQHGABSQD-MRXNPFEDSA-N 0 3 330.388 2.082 20 5 EEBDHN C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N(C)C ZINC000599045480 469098163 /nfs/dbraw/zinc/09/81/63/469098163.db2.gz HXRFPAYWICDQDQ-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000573315480 469104281 /nfs/dbraw/zinc/10/42/81/469104281.db2.gz LSHUYGQRENKLCH-CYBMUJFWSA-N 0 3 333.388 2.158 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000602841781 469111451 /nfs/dbraw/zinc/11/14/51/469111451.db2.gz SEOGTOGFTUYOBX-BMIGLBTASA-N 0 3 336.417 2.453 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596487827 469282324 /nfs/dbraw/zinc/28/23/24/469282324.db2.gz KEIZTIMFVPTUGH-LBPRGKRZSA-N 0 3 345.403 2.776 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCn1cc(CCN2CCCCC2)nn1 ZINC000603200876 469306974 /nfs/dbraw/zinc/30/69/74/469306974.db2.gz KNPRXKJCFGTVAK-UHFFFAOYSA-N 0 3 345.403 2.294 20 5 EEBDHN CN(C)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609175138 469899941 /nfs/dbraw/zinc/89/99/41/469899941.db2.gz CIFDOTSQPHKXNO-AWEZNQCLSA-N 0 3 335.404 2.306 20 5 EEBDHN O=C(CCN1CCC[C@@H](n2ccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258024 469907218 /nfs/dbraw/zinc/90/72/18/469907218.db2.gz IQOAZDSIUCTBOD-MRXNPFEDSA-N 0 3 343.387 2.457 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153907943 527512895 /nfs/dbraw/zinc/51/28/95/527512895.db2.gz IITYAHFETIHHPF-YOEHRIQHSA-N 0 3 349.431 2.112 20 5 EEBDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534401 528203366 /nfs/dbraw/zinc/20/33/66/528203366.db2.gz PYIVDVCFAQSLJT-CJNGLKHVSA-N 0 3 348.403 2.290 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000458201316 535869972 /nfs/dbraw/zinc/86/99/72/535869972.db2.gz LZRSVKKOKMHRBS-UHFFFAOYSA-N 0 3 336.417 2.199 20 5 EEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000491796741 535936101 /nfs/dbraw/zinc/93/61/01/535936101.db2.gz NITWIOKCQBZELS-WMHVBEDNSA-N 0 3 333.363 2.300 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264923997 536375121 /nfs/dbraw/zinc/37/51/21/536375121.db2.gz QLEJECLNTJMWEN-CQSZACIVSA-N 0 3 332.404 2.019 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCOc2ccc3c(c2)OCO3)cc1 ZINC000776274972 577456308 /nfs/dbraw/zinc/45/63/08/577456308.db2.gz FACKDRBWIZOTEO-OAHLLOKOSA-N 0 3 346.339 2.026 20 5 EEBDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939862 577587444 /nfs/dbraw/zinc/58/74/44/577587444.db2.gz AYWUSOIEBINAAH-WBVHZDCISA-N 0 3 344.415 2.316 20 5 EEBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168225 577821092 /nfs/dbraw/zinc/82/10/92/577821092.db2.gz GCGCFHOHOOQKPY-LKFCYVNXSA-N 0 3 327.768 2.344 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000755641541 577828346 /nfs/dbraw/zinc/82/83/46/577828346.db2.gz OMQIKOWHYJEVQO-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN CC(C)(CNCc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000892439916 679830099 /nfs/dbraw/zinc/83/00/99/679830099.db2.gz MTPWUDQDLIKPOQ-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001059272067 683866454 /nfs/dbraw/zinc/86/64/54/683866454.db2.gz MVLSLRYYMSHFKT-HDJSIYSDSA-N 0 3 343.387 2.237 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cnco2)CC1 ZINC000985561252 687140944 /nfs/dbraw/zinc/14/09/44/687140944.db2.gz JVYCSYJPFLBLPT-UHFFFAOYSA-N 0 3 344.371 2.319 20 5 EEBDHN CN(C)CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC000897422886 689380618 /nfs/dbraw/zinc/38/06/18/689380618.db2.gz IPGXUGHINGKVDV-UHFFFAOYSA-N 0 3 342.399 2.496 20 5 EEBDHN Cc1nccn1CCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000162836428 694423652 /nfs/dbraw/zinc/42/36/52/694423652.db2.gz ZJYQLKBYOXEBDL-UHFFFAOYSA-N 0 3 328.376 2.429 20 5 EEBDHN O=C(c1cocn1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000990245775 692781760 /nfs/dbraw/zinc/78/17/60/692781760.db2.gz XOHRXXKCTPOCEV-UHFFFAOYSA-N 0 3 336.373 2.039 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001105589112 1188202135 /nfs/dbraw/zinc/20/21/35/1188202135.db2.gz IPNKVTCYYCHFRC-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001034570326 1196400363 /nfs/dbraw/zinc/40/03/63/1196400363.db2.gz IQMKKDRKDSPQOR-MGCOHNPYSA-N 0 3 333.360 2.438 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC001134277787 1199443204 /nfs/dbraw/zinc/44/32/04/1199443204.db2.gz PZZFCOHIUOIYQA-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CC(COC(=O)c1ccc2cncc(Br)c2n1)[N+](=O)[O-] ZINC000870378313 1200644300 /nfs/dbraw/zinc/64/43/00/1200644300.db2.gz VLKGZUIOXYFYAC-ZETCQYMHSA-N 0 3 340.133 2.214 20 5 EEBDHN CC(COC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[N+](=O)[O-] ZINC000813106021 1201098303 /nfs/dbraw/zinc/09/83/03/1201098303.db2.gz XPPHONORVXTHNM-JGVFFNPUSA-N 0 3 349.170 2.320 20 5 EEBDHN COc1ccc(CSCC(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813106829 1201116289 /nfs/dbraw/zinc/11/62/89/1201116289.db2.gz IJQPMLSKRDONKH-SECBINFHSA-N 0 3 344.345 2.045 20 5 EEBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[N+](=O)[O-] ZINC000813110004 1201120219 /nfs/dbraw/zinc/12/02/19/1201120219.db2.gz QXHMEKYPGNQOGS-NSHDSACASA-N 0 3 341.385 2.225 20 5 EEBDHN CCCN(CCN(C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778011307 1207423572 /nfs/dbraw/zinc/42/35/72/1207423572.db2.gz ZFDYLGALNIDEAW-UHFFFAOYSA-N 0 3 329.347 2.487 20 5 EEBDHN CSCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000932593659 1207633175 /nfs/dbraw/zinc/63/31/75/1207633175.db2.gz YTTACFPPADPLEE-HNNXBMFYSA-N 0 3 340.445 2.410 20 5 EEBDHN CCc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001017544655 1227507169 /nfs/dbraw/zinc/50/71/69/1227507169.db2.gz YCEURVIMHJQSJD-XMTFNYHQSA-N 0 3 343.427 2.089 20 5 EEBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104134362 1284913797 /nfs/dbraw/zinc/91/37/97/1284913797.db2.gz YRKXKVLYTUKGDD-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN CSCCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199233622 1285554392 /nfs/dbraw/zinc/55/43/92/1285554392.db2.gz VCTLZDWHZYQQIQ-UHFFFAOYSA-N 0 3 343.474 2.490 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861840616 1295561903 /nfs/dbraw/zinc/56/19/03/1295561903.db2.gz KKAVOAAXXJTVOB-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN C[C@@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344202 1297637177 /nfs/dbraw/zinc/63/71/77/1297637177.db2.gz RYBFRPFTCSNSSN-BZNIZROVSA-N 0 3 329.356 2.090 20 5 EEBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1nc[nH]n1 ZINC001220250249 1298322046 /nfs/dbraw/zinc/32/20/46/1298322046.db2.gz UFZJFUAAALMLKJ-SFHVURJKSA-N 0 3 345.406 2.297 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3ccncn3)CC2)cc1 ZINC000839621394 1315221417 /nfs/dbraw/zinc/22/14/17/1315221417.db2.gz FKDXAMLJDQLBIE-QGZVFWFLSA-N 0 3 328.372 2.298 20 5 EEBDHN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840877500 1315425848 /nfs/dbraw/zinc/42/58/48/1315425848.db2.gz XYAUHGHESLPRJF-SNVBAGLBSA-N 0 3 329.422 2.041 20 5 EEBDHN C[C@@H]1NCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000843474300 1315920352 /nfs/dbraw/zinc/92/03/52/1315920352.db2.gz WWVIWKOOUMYNHE-IUCAKERBSA-N 0 3 329.759 2.139 20 5 EEBDHN Cc1nc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001150376508 1316248176 /nfs/dbraw/zinc/24/81/76/1316248176.db2.gz HHRUCVITRYNETC-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN COc1ncnc2c1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254556321 1318121757 /nfs/dbraw/zinc/12/17/57/1318121757.db2.gz KMQZWUNLCNAFCG-CYBMUJFWSA-N 0 3 342.399 2.425 20 5 EEBDHN COc1ccccc1[C@@H](CO)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589026 1318137551 /nfs/dbraw/zinc/13/75/51/1318137551.db2.gz LAFPSSWIICLTGS-WMLDXEAASA-N 0 3 328.368 2.394 20 5 EEBDHN CN1C[C@]2(CC1=O)CCCCN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599426 1318140196 /nfs/dbraw/zinc/14/01/96/1318140196.db2.gz ZFGQFPYVNVVVOH-FUHWJXTLSA-N 0 3 329.400 2.149 20 5 EEBDHN Cc1cc(Cl)nc(N2CCO[C@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158303759 1319160650 /nfs/dbraw/zinc/16/06/50/1319160650.db2.gz CKUCIKXMYIFOCX-GFCCVEGCSA-N 0 3 340.811 2.253 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)n2ncc3c2CCNC3)cnc1Cl ZINC001165218026 1321475801 /nfs/dbraw/zinc/47/58/01/1321475801.db2.gz FXHLFQYUHKIUIY-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001330613423 1334877735 /nfs/dbraw/zinc/87/77/35/1334877735.db2.gz KUTWSRKCLXXWEP-LBPRGKRZSA-N 0 3 332.404 2.193 20 5 EEBDHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)CC1 ZINC001339339093 1336990535 /nfs/dbraw/zinc/99/05/35/1336990535.db2.gz KANKFCDGSFCCKK-GFCCVEGCSA-N 0 3 348.407 2.387 20 5 EEBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001340122109 1337125161 /nfs/dbraw/zinc/12/51/61/1337125161.db2.gz BHPMUMLWEHUOGG-ZDUSSCGKSA-N 0 3 338.456 2.194 20 5 EEBDHN CC(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC001343646183 1337342881 /nfs/dbraw/zinc/34/28/81/1337342881.db2.gz BYSHAHDPQVPMMT-SWLSCSKDSA-N 0 3 334.372 2.266 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589630104 1349013118 /nfs/dbraw/zinc/01/31/18/1349013118.db2.gz RAKFVNIHYCHKBN-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589630104 1349013122 /nfs/dbraw/zinc/01/31/22/1349013122.db2.gz RAKFVNIHYCHKBN-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC1CC[NH+](CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590271914 1349243321 /nfs/dbraw/zinc/24/33/21/1349243321.db2.gz MWDYDPBQXCZHDA-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1CC[NH+](CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590271914 1349243324 /nfs/dbraw/zinc/24/33/24/1349243324.db2.gz MWDYDPBQXCZHDA-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001593466710 1349803222 /nfs/dbraw/zinc/80/32/22/1349803222.db2.gz FGDISJAQWYQZFX-CYBMUJFWSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC001593466710 1349803229 /nfs/dbraw/zinc/80/32/29/1349803229.db2.gz FGDISJAQWYQZFX-CYBMUJFWSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001593466710 1349803238 /nfs/dbraw/zinc/80/32/38/1349803238.db2.gz FGDISJAQWYQZFX-CYBMUJFWSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC001593466710 1349803244 /nfs/dbraw/zinc/80/32/44/1349803244.db2.gz FGDISJAQWYQZFX-CYBMUJFWSA-N 0 3 340.343 2.357 20 5 EEBDHN CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001121720004 1371918602 /nfs/dbraw/zinc/91/86/02/1371918602.db2.gz LECVGLQLQHLCLC-NEPJUHHUSA-N 0 3 347.423 2.120 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000843843640 788685230 /nfs/dbraw/zinc/68/52/30/788685230.db2.gz SKMGSCBPYVLJBY-CHWSQXEVSA-N 0 3 341.408 2.160 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455748 789113332 /nfs/dbraw/zinc/11/33/32/789113332.db2.gz OQVSGNJNIWKBMF-PHIMTYICSA-N 0 3 341.314 2.129 20 5 EEBDHN COc1cc(C(=O)O[C@@H](C)CN2CCCC2)c([N+](=O)[O-])cc1F ZINC000845663669 789913406 /nfs/dbraw/zinc/91/34/06/789913406.db2.gz UCIXAHDTYJSILS-JTQLQIEISA-N 0 3 326.324 2.384 20 5 EEBDHN CC([C@H](OC(=O)CCc1cnccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877724 789972726 /nfs/dbraw/zinc/97/27/26/789972726.db2.gz GGSRMAVFSCIOAA-ZBEGNZNMSA-N 0 3 333.319 2.498 20 5 EEBDHN CCn1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845881586 789973579 /nfs/dbraw/zinc/97/35/79/789973579.db2.gz LRUKSYKYHYZJQA-HZMBPMFUSA-N 0 3 336.323 2.309 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095233572 797565104 /nfs/dbraw/zinc/56/51/04/797565104.db2.gz DJQKCCMBYJFAJJ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001128284951 798653278 /nfs/dbraw/zinc/65/32/78/798653278.db2.gz QFQWTWUEZTXJSR-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN CN(C)C1(C(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001110253436 801054023 /nfs/dbraw/zinc/05/40/23/801054023.db2.gz XQLBDFXZCYNIMA-UHFFFAOYSA-N 0 3 332.404 2.140 20 5 EEBDHN O=C(CCNc1cc2c(cc1[N+](=O)[O-])CNC2)Nc1nccs1 ZINC001168912030 803511894 /nfs/dbraw/zinc/51/18/94/803511894.db2.gz IEURAMNPSRCZPP-UHFFFAOYSA-N 0 3 333.373 2.095 20 5 EEBDHN O=C(COC1CCCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130684625 811944127 /nfs/dbraw/zinc/94/41/27/811944127.db2.gz WGTXZSXFLYVPEG-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(C)cc2OC)CCNC1 ZINC001170517656 812070676 /nfs/dbraw/zinc/07/06/76/812070676.db2.gz TVUCOTVHBZMDEM-UHFFFAOYSA-N 0 3 335.360 2.134 20 5 EEBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H](C)[C@H]1CNCCO1 ZINC001170571555 812985376 /nfs/dbraw/zinc/98/53/76/812985376.db2.gz MYAHLPGNDSTFAQ-BXKDBHETSA-N 0 3 329.784 2.354 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001517388991 1119032955 /nfs/dbraw/zinc/03/29/55/1119032955.db2.gz CFENIANFRDCTPB-MELADBBJSA-N 0 3 338.456 2.191 20 5 EEBDHN CCN(C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051469727 214094933 /nfs/dbraw/zinc/09/49/33/214094933.db2.gz SLJBDKPANQUWJT-UHFFFAOYSA-N 0 3 334.401 2.400 20 5 EEBDHN CC(C)[NH+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000055221581 214291220 /nfs/dbraw/zinc/29/12/20/214291220.db2.gz VHUXNWNQVPBMIF-UHFFFAOYSA-N 0 3 347.412 2.131 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178503432 232208278 /nfs/dbraw/zinc/20/82/78/232208278.db2.gz QXYMPVKVRQOZNR-MRXNPFEDSA-N 0 3 349.431 2.018 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181429585 234182588 /nfs/dbraw/zinc/18/25/88/234182588.db2.gz PKYXCPVIMQBDJN-NSHDSACASA-N 0 3 343.330 2.362 20 5 EEBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537748 234223286 /nfs/dbraw/zinc/22/32/86/234223286.db2.gz SZYVMTDEKOXTOE-LRDDRELGSA-N 0 3 332.356 2.391 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000352805654 283073730 /nfs/dbraw/zinc/07/37/30/283073730.db2.gz PVXSFIKBNCZBFW-IAQYHMDHSA-N 0 3 328.372 2.242 20 5 EEBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112114683 220246131 /nfs/dbraw/zinc/24/61/31/220246131.db2.gz GTZQFSHKJCZMID-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000264087299 246053931 /nfs/dbraw/zinc/05/39/31/246053931.db2.gz RNMKQROQOPLEGW-UHFFFAOYSA-N 0 3 344.415 2.350 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103242 248098468 /nfs/dbraw/zinc/09/84/68/248098468.db2.gz SGYATZCGUONJGY-BDJLRTHQSA-N 0 3 330.388 2.488 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000266316880 248244098 /nfs/dbraw/zinc/24/40/98/248244098.db2.gz FBKXPIVTCCPCEP-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173989745 284783072 /nfs/dbraw/zinc/78/30/72/284783072.db2.gz QBUNLGRTIDWUGO-CYBMUJFWSA-N 0 3 341.433 2.008 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153682717 296389100 /nfs/dbraw/zinc/38/91/00/296389100.db2.gz YOIKGTFSVSJRMP-CYBMUJFWSA-N 0 3 344.415 2.467 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459509188 285189397 /nfs/dbraw/zinc/18/93/97/285189397.db2.gz BUGAUIXXNPRCBA-UHFFFAOYSA-N 0 3 342.399 2.355 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000246154798 256014747 /nfs/dbraw/zinc/01/47/47/256014747.db2.gz DHBOUYMBRPSQQU-XJKSGUPXSA-N 0 3 334.420 2.119 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000267448506 256059999 /nfs/dbraw/zinc/05/99/99/256059999.db2.gz LMTBGRKWCJMDAB-JSGCOSHPSA-N 0 3 336.417 2.441 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268157628 256120427 /nfs/dbraw/zinc/12/04/27/256120427.db2.gz HIJWLIHKYCEQRO-ZANVPECISA-N 0 3 348.359 2.024 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268161253 256121015 /nfs/dbraw/zinc/12/10/15/256121015.db2.gz YFUYHMKSUYXLCU-GFCCVEGCSA-N 0 3 326.784 2.142 20 5 EEBDHN COc1cccc(C2(NCCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000271746985 256240105 /nfs/dbraw/zinc/24/01/05/256240105.db2.gz XPWBSPLFRYMXOK-UHFFFAOYSA-N 0 3 329.356 2.044 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000273531371 256304504 /nfs/dbraw/zinc/30/45/04/256304504.db2.gz RINYENXYPSIDFX-LSDHHAIUSA-N 0 3 335.429 2.247 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273557963 256306701 /nfs/dbraw/zinc/30/67/01/256306701.db2.gz WQESHYPMZJAMSK-CVEARBPZSA-N 0 3 349.456 2.176 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccn2)c1 ZINC000183565891 533406869 /nfs/dbraw/zinc/40/68/69/533406869.db2.gz FLGUPSBIIZTFSJ-CYBMUJFWSA-N 0 3 326.360 2.328 20 5 EEBDHN CN1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087136927 292206108 /nfs/dbraw/zinc/20/61/08/292206108.db2.gz AMBHQOHVZYPBAB-CYBMUJFWSA-N 0 3 332.404 2.004 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000249149498 160375853 /nfs/dbraw/zinc/37/58/53/160375853.db2.gz XKPKQKNQYDGRSU-CHWSQXEVSA-N 0 3 349.387 2.054 20 5 EEBDHN CC(C)(CCS(C)(=O)=O)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000255355312 160397475 /nfs/dbraw/zinc/39/74/75/160397475.db2.gz DKGYJKMIBJCFSL-VURMDHGXSA-N 0 3 326.418 2.411 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C2CC2)CCO1 ZINC000344797219 161246781 /nfs/dbraw/zinc/24/67/81/161246781.db2.gz WCQFTHOTQCVEIP-MXHVWWQHSA-N 0 3 331.416 2.451 20 5 EEBDHN CC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(CC)CC ZINC000345586591 161313626 /nfs/dbraw/zinc/31/36/26/161313626.db2.gz JNQFHOVCEFGROS-KRWDZBQOSA-N 0 3 348.447 2.364 20 5 EEBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000355607238 163247981 /nfs/dbraw/zinc/24/79/81/163247981.db2.gz NIBCLWPCENZENL-LBPRGKRZSA-N 0 3 340.401 2.084 20 5 EEBDHN Cc1c(Br)cc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000269982124 268768983 /nfs/dbraw/zinc/76/89/83/268768983.db2.gz PRCNZBLVKVBLAT-MRVPVSSYSA-N 0 3 344.209 2.346 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000278251900 269219208 /nfs/dbraw/zinc/21/92/08/269219208.db2.gz CAWIXVVOYPHFLY-CYBMUJFWSA-N 0 3 348.403 2.312 20 5 EEBDHN CC1CCN(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043892912 273918153 /nfs/dbraw/zinc/91/81/53/273918153.db2.gz AAYRRASKCQWFLS-UHFFFAOYSA-N 0 3 349.435 2.038 20 5 EEBDHN Cc1cc(NCCN2C(=O)CCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000272790521 274182018 /nfs/dbraw/zinc/18/20/18/274182018.db2.gz CCQFJSPRZDAXOJ-UHFFFAOYSA-N 0 3 328.328 2.012 20 5 EEBDHN Cc1c(NC(=O)CCN2CC[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275423962 274246853 /nfs/dbraw/zinc/24/68/53/274246853.db2.gz HZKXEBGIUYKNEO-HNNXBMFYSA-N 0 3 335.404 2.325 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000275498356 274254019 /nfs/dbraw/zinc/25/40/19/274254019.db2.gz QPBJNMALHLLQSZ-HNNXBMFYSA-N 0 3 335.404 2.325 20 5 EEBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743061 274398076 /nfs/dbraw/zinc/39/80/76/274398076.db2.gz VPDDRKRSCJCHJF-SJCJKPOMSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285033234 274668498 /nfs/dbraw/zinc/66/84/98/274668498.db2.gz HTOGHXDOGJDNNW-UHFFFAOYSA-N 0 3 343.387 2.021 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373501 274865409 /nfs/dbraw/zinc/86/54/09/274865409.db2.gz YUKGZBYPIUXDJD-YDHLFZDLSA-N 0 3 335.404 2.371 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453618 275060071 /nfs/dbraw/zinc/06/00/71/275060071.db2.gz PPDWDDZZDZBRAC-PWSUYJOCSA-N 0 3 336.367 2.015 20 5 EEBDHN CCCN(CCN1CCCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291121048 275272694 /nfs/dbraw/zinc/27/26/94/275272694.db2.gz MEBVVPZZOWQRHO-UHFFFAOYSA-N 0 3 349.435 2.181 20 5 EEBDHN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)CN1 ZINC000414957109 313115217 /nfs/dbraw/zinc/11/52/17/313115217.db2.gz VSUPAPLHFHSUMN-BDAKNGLRSA-N 0 3 344.318 2.410 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000421705167 314145548 /nfs/dbraw/zinc/14/55/48/314145548.db2.gz QRIJQDAJMJSMJP-ZDUSSCGKSA-N 0 3 325.796 2.343 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000433861500 314800159 /nfs/dbraw/zinc/80/01/59/314800159.db2.gz BVSQSZXHSIHFEL-UHFFFAOYSA-N 0 3 337.424 2.436 20 5 EEBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440071387 315110692 /nfs/dbraw/zinc/11/06/92/315110692.db2.gz BJTPSISLSLRLMT-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN COCc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000521104508 316894928 /nfs/dbraw/zinc/89/49/28/316894928.db2.gz XAEDVGYUQCRCQA-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1ccc(CC(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000536641392 318006288 /nfs/dbraw/zinc/00/62/88/318006288.db2.gz MDKZDXFVROPVSD-UHFFFAOYSA-N 0 3 347.415 2.233 20 5 EEBDHN O=C(NC1CCN(C2CCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000560468398 318793217 /nfs/dbraw/zinc/79/32/17/318793217.db2.gz WJHQWKGUASOWGX-UHFFFAOYSA-N 0 3 347.371 2.070 20 5 EEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1N(C)C ZINC000565230561 319164788 /nfs/dbraw/zinc/16/47/88/319164788.db2.gz SVMRSHYTXUESDM-OLZOCXBDSA-N 0 3 340.449 2.259 20 5 EEBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000566118589 319247774 /nfs/dbraw/zinc/24/77/74/319247774.db2.gz DMWJBHHXFLCEKP-OAHLLOKOSA-N 0 3 331.372 2.136 20 5 EEBDHN Cc1c(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862437 465056547 /nfs/dbraw/zinc/05/65/47/465056547.db2.gz JGWFZLPTPCUXOO-KGLIPLIRSA-N 0 3 326.418 2.349 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000341276571 465087775 /nfs/dbraw/zinc/08/77/75/465087775.db2.gz GAHHHPXZYYZKPS-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN COc1cc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688323 465170586 /nfs/dbraw/zinc/17/05/86/465170586.db2.gz VAPYDIMUHJFIKU-GXTWGEPZSA-N 0 3 347.371 2.089 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCN2CCC1CC2 ZINC000341501256 465202270 /nfs/dbraw/zinc/20/22/70/465202270.db2.gz QQWSQOXTODMFTM-UHFFFAOYSA-N 0 3 338.795 2.238 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659166 468298520 /nfs/dbraw/zinc/29/85/20/468298520.db2.gz HXMMTHNVCKJAIJ-KBXCAEBGSA-N 0 3 348.399 2.253 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000088718025 462642155 /nfs/dbraw/zinc/64/21/55/462642155.db2.gz VRPYPIVVEWNGHC-INIZCTEOSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000076023474 462788596 /nfs/dbraw/zinc/78/85/96/462788596.db2.gz KHYRJAZPBHOIBG-LLVKDONJSA-N 0 3 343.449 2.387 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1ccn(CCN(C)C)n1 ZINC000131932831 462834608 /nfs/dbraw/zinc/83/46/08/462834608.db2.gz GJWAXLGYXSBMGO-UHFFFAOYSA-N 0 3 333.392 2.364 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC(F)F ZINC000092628226 462967038 /nfs/dbraw/zinc/96/70/38/462967038.db2.gz ZBLPAYQRVRBRSG-VXGBXAGGSA-N 0 3 343.330 2.471 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000051538294 463040435 /nfs/dbraw/zinc/04/04/35/463040435.db2.gz XEGWBFYQMHPCDK-GFCCVEGCSA-N 0 3 325.796 2.407 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000077963834 463075418 /nfs/dbraw/zinc/07/54/18/463075418.db2.gz TYXVMMXSBNMVMY-UHFFFAOYSA-N 0 3 336.392 2.087 20 5 EEBDHN COc1ccc(-c2ccc(CN3CC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000157150397 463103825 /nfs/dbraw/zinc/10/38/25/463103825.db2.gz IYPDATNCTNCEPA-NSHDSACASA-N 0 3 345.355 2.171 20 5 EEBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468045 463140935 /nfs/dbraw/zinc/14/09/35/463140935.db2.gz WYBCJINSPUUMFJ-INIZCTEOSA-N 0 3 344.415 2.492 20 5 EEBDHN CC(C)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000068777645 463173029 /nfs/dbraw/zinc/17/30/29/463173029.db2.gz XKRZWMRIKYHJIX-UHFFFAOYSA-N 0 3 339.367 2.055 20 5 EEBDHN CNC(=O)c1ccc(NCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053582791 463176988 /nfs/dbraw/zinc/17/69/88/463176988.db2.gz PEVKQZMBXNUZQH-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CN(C)CCOc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000056890511 463431511 /nfs/dbraw/zinc/43/15/11/463431511.db2.gz IJBUDWJUNXIHGI-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000041897004 463519078 /nfs/dbraw/zinc/51/90/78/463519078.db2.gz PWYXQAOWXQAXKF-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000151762665 463587240 /nfs/dbraw/zinc/58/72/40/463587240.db2.gz SOSWNYDJFHFILW-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000177791139 463792856 /nfs/dbraw/zinc/79/28/56/463792856.db2.gz YHEUBCHPGJMHCS-KGLIPLIRSA-N 0 3 333.388 2.059 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC000261694358 463830320 /nfs/dbraw/zinc/83/03/20/463830320.db2.gz OAQJMALMUZVZFA-MRXNPFEDSA-N 0 3 325.368 2.141 20 5 EEBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C)CC1 ZINC000263835441 464210244 /nfs/dbraw/zinc/21/02/44/464210244.db2.gz BEPMJTJQUKAQHV-LBPRGKRZSA-N 0 3 331.376 2.343 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292417129 464226272 /nfs/dbraw/zinc/22/62/72/464226272.db2.gz WFKBHXPPHBZZPY-GOSISDBHSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1c(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281103577 464333654 /nfs/dbraw/zinc/33/36/54/464333654.db2.gz QHOLHFQGFGUCPY-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN CN(CCCNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180606916 464347953 /nfs/dbraw/zinc/34/79/53/464347953.db2.gz KWWUOESFCZEWQZ-UHFFFAOYSA-N 0 3 342.399 2.429 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264594335 464386639 /nfs/dbraw/zinc/38/66/39/464386639.db2.gz WSJLGEBRHKOJTG-OAHLLOKOSA-N 0 3 347.415 2.451 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264616049 464395211 /nfs/dbraw/zinc/39/52/11/464395211.db2.gz QPRAOMYDQBSEEE-HNNXBMFYSA-N 0 3 332.404 2.365 20 5 EEBDHN O=C([N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133535 464490908 /nfs/dbraw/zinc/49/09/08/464490908.db2.gz XKTYFPPSRVWKAA-KGLIPLIRSA-N 0 3 339.342 2.430 20 5 EEBDHN O=C([N-][C@@H]1CC[N@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133535 464490914 /nfs/dbraw/zinc/49/09/14/464490914.db2.gz XKTYFPPSRVWKAA-KGLIPLIRSA-N 0 3 339.342 2.430 20 5 EEBDHN CC[C@@H](C)N(C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294522732 464525750 /nfs/dbraw/zinc/52/57/50/464525750.db2.gz IFWWPCBMZVOWTF-CYBMUJFWSA-N 0 3 335.404 2.404 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000285358216 464536674 /nfs/dbraw/zinc/53/66/74/464536674.db2.gz BKQHLJVTTWTFPY-OAHLLOKOSA-N 0 3 332.404 2.365 20 5 EEBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265412886 464548369 /nfs/dbraw/zinc/54/83/69/464548369.db2.gz FPUUOFNLAVKAKJ-LBPRGKRZSA-N 0 3 329.784 2.183 20 5 EEBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265505635 464583449 /nfs/dbraw/zinc/58/34/49/464583449.db2.gz JDLFFHWVLGUAFM-UHFFFAOYSA-N 0 3 327.816 2.083 20 5 EEBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000248664533 464784121 /nfs/dbraw/zinc/78/41/21/464784121.db2.gz JYTNLKKQPJDIGY-KGLIPLIRSA-N 0 3 344.415 2.343 20 5 EEBDHN CCC(CC)(CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000282377363 464794839 /nfs/dbraw/zinc/79/48/39/464794839.db2.gz FRIISIUTGCKAQI-UHFFFAOYSA-N 0 3 339.392 2.073 20 5 EEBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000248876288 464813814 /nfs/dbraw/zinc/81/38/14/464813814.db2.gz QUWICSMAZFSXCI-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177042790 464913981 /nfs/dbraw/zinc/91/39/81/464913981.db2.gz INTQHNFRXAIWOM-STQMWFEESA-N 0 3 332.404 2.138 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(CN2CCN(C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000286607280 464975435 /nfs/dbraw/zinc/97/54/35/464975435.db2.gz YFNODJNCYRCHMI-LBPRGKRZSA-N 0 3 341.358 2.027 20 5 EEBDHN CC[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940533 465018142 /nfs/dbraw/zinc/01/81/42/465018142.db2.gz IDDMRMSVKKJZTR-DLBZAZTESA-N 0 3 347.415 2.199 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356980239 465675888 /nfs/dbraw/zinc/67/58/88/465675888.db2.gz OTWVWEMDIPWESO-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CNc1c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125158 465783304 /nfs/dbraw/zinc/78/33/04/465783304.db2.gz VRJSZRYDBODQPS-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000338056456 465785737 /nfs/dbraw/zinc/78/57/37/465785737.db2.gz HLRJNPJDXRKSGA-CQSZACIVSA-N 0 3 332.404 2.015 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000349200163 466017971 /nfs/dbraw/zinc/01/79/71/466017971.db2.gz GVEZXZFGGONAMT-ZIAGYGMSSA-N 0 3 337.420 2.365 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC000349720927 466204664 /nfs/dbraw/zinc/20/46/64/466204664.db2.gz LDHRBSBMSGLLHM-OLZOCXBDSA-N 0 3 344.419 2.309 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774289 466240619 /nfs/dbraw/zinc/24/06/19/466240619.db2.gz GGXGEYTZYWETBJ-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774289 466240625 /nfs/dbraw/zinc/24/06/25/466240625.db2.gz GGXGEYTZYWETBJ-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000332356053 466525318 /nfs/dbraw/zinc/52/53/18/466525318.db2.gz ZMTMEKAXXAHROH-UKRRQHHQSA-N 0 3 346.431 2.408 20 5 EEBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCNCC1 ZINC000415437777 466679715 /nfs/dbraw/zinc/67/97/15/466679715.db2.gz LCPPGMQUYLEYEY-UHFFFAOYSA-N 0 3 332.282 2.441 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000373270999 466749042 /nfs/dbraw/zinc/74/90/42/466749042.db2.gz CARGCOOMGXEULQ-INIZCTEOSA-N 0 3 330.388 2.032 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413141663 467177870 /nfs/dbraw/zinc/17/78/70/467177870.db2.gz TYCBYGWGSRDKIV-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413182537 467185661 /nfs/dbraw/zinc/18/56/61/467185661.db2.gz XYIWSXRGLLJTRH-UHFFFAOYSA-N 0 3 336.314 2.389 20 5 EEBDHN CN1CCC[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413449395 467244555 /nfs/dbraw/zinc/24/45/55/467244555.db2.gz XLCUNUAWCCGYKY-JTQLQIEISA-N 0 3 347.462 2.204 20 5 EEBDHN CN1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378304616 467257716 /nfs/dbraw/zinc/25/77/16/467257716.db2.gz HOHPANWRPGEEIX-IAGOWNOFSA-N 0 3 339.395 2.351 20 5 EEBDHN C[C@H]1CN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CCCO1 ZINC000432875743 467271049 /nfs/dbraw/zinc/27/10/49/467271049.db2.gz HDQIDZVNQGGTKC-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EEBDHN Cc1noc(C[C@@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccc2)n1 ZINC000429536832 467343090 /nfs/dbraw/zinc/34/30/90/467343090.db2.gz PJGXBTVROMFLGO-CQSZACIVSA-N 0 3 342.359 2.056 20 5 EEBDHN C[C@H](CNC(=O)OC(C)(C)C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496749675 467709452 /nfs/dbraw/zinc/70/94/52/467709452.db2.gz UKKQCEFWPIXKFU-RISCZKNCSA-N 0 3 339.392 2.131 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1Cc1ccccc1 ZINC000531569455 468061781 /nfs/dbraw/zinc/06/17/81/468061781.db2.gz UFSPMVKZNJBHFI-UKRRQHHQSA-N 0 3 342.399 2.326 20 5 EEBDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488035144 468067451 /nfs/dbraw/zinc/06/74/51/468067451.db2.gz WBXZGEIWXKDATL-CJNGLKHVSA-N 0 3 334.420 2.194 20 5 EEBDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488035150 468067922 /nfs/dbraw/zinc/06/79/22/468067922.db2.gz WBXZGEIWXKDATL-CZUORRHYSA-N 0 3 334.420 2.194 20 5 EEBDHN COc1cc(C)cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000567688261 468183796 /nfs/dbraw/zinc/18/37/96/468183796.db2.gz MGBVCSRGJSNNRJ-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594212099 468514436 /nfs/dbraw/zinc/51/44/36/468514436.db2.gz SLPRQSBTQPRKHW-CVEARBPZSA-N 0 3 332.404 2.411 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961902 468731878 /nfs/dbraw/zinc/73/18/78/468731878.db2.gz PAGJSYFJEPQWLS-GIYNXVAASA-N 0 3 326.418 2.383 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCN1CCCO ZINC000595041353 468747932 /nfs/dbraw/zinc/74/79/32/468747932.db2.gz KLFFUSKTASNWMX-UKRRQHHQSA-N 0 3 337.420 2.101 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000595046694 468748446 /nfs/dbraw/zinc/74/84/46/468748446.db2.gz NBDHJDIVGVUPKG-NEPJUHHUSA-N 0 3 333.388 2.265 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598261449 468810004 /nfs/dbraw/zinc/81/00/04/468810004.db2.gz FOTRALRJULNTSX-CQSZACIVSA-N 0 3 334.420 2.243 20 5 EEBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679055 468951263 /nfs/dbraw/zinc/95/12/63/468951263.db2.gz UQZUIOUYHQJMBZ-DZGCQCFKSA-N 0 3 338.404 2.465 20 5 EEBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596087190 469149554 /nfs/dbraw/zinc/14/95/54/469149554.db2.gz GFSXFCQXMTXAAD-ZDUSSCGKSA-N 0 3 332.404 2.382 20 5 EEBDHN NC(=O)c1cc(N2CCN(CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596096791 469153527 /nfs/dbraw/zinc/15/35/27/469153527.db2.gz AWGDNGZAMKJKBG-UHFFFAOYSA-N 0 3 346.431 2.396 20 5 EEBDHN CCC(CC)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000573676701 469183643 /nfs/dbraw/zinc/18/36/43/469183643.db2.gz JUBNEERXIRJECH-UHFFFAOYSA-N 0 3 344.433 2.163 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337370 469246286 /nfs/dbraw/zinc/24/62/86/469246286.db2.gz VVURQZIICLASQY-LLVKDONJSA-N 0 3 336.392 2.370 20 5 EEBDHN O=[N+]([O-])c1ncccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000611617952 469293846 /nfs/dbraw/zinc/29/38/46/469293846.db2.gz DQTWFUARKSUQSI-HNNXBMFYSA-N 0 3 328.372 2.169 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H](CCO)C3CCOCC3)nc2c1 ZINC000613130269 469635849 /nfs/dbraw/zinc/63/58/49/469635849.db2.gz MQSWIKGEIMNNRV-ZDUSSCGKSA-N 0 3 335.360 2.003 20 5 EEBDHN CC[C@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369682 470008189 /nfs/dbraw/zinc/00/81/89/470008189.db2.gz WBJMTHOEPFXNDK-WBVHZDCISA-N 0 3 330.388 2.162 20 5 EEBDHN CN(C)CCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000732007242 577142155 /nfs/dbraw/zinc/14/21/55/577142155.db2.gz NZPXLQYOKXCWKU-UHFFFAOYSA-N 0 3 346.387 2.150 20 5 EEBDHN COc1ccc([C@@H](CO)N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581695 577463112 /nfs/dbraw/zinc/46/31/12/577463112.db2.gz HRICODFSXJRFKT-MSOLQXFVSA-N 0 3 346.383 2.302 20 5 EEBDHN COc1ccc([C@H](CCO)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606365 577464178 /nfs/dbraw/zinc/46/41/78/577464178.db2.gz VTZGTVBUQCOKPD-ROUUACIJSA-N 0 3 346.383 2.350 20 5 EEBDHN C[C@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000124133389 685364247 /nfs/dbraw/zinc/36/42/47/685364247.db2.gz PBBOWJIGUIKYLO-ZETCQYMHSA-N 0 3 326.154 2.017 20 5 EEBDHN C[C@H]1C[N@H+](CCCOC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)CCO1 ZINC000893391556 685229473 /nfs/dbraw/zinc/22/94/73/685229473.db2.gz MNAMCZNETSXEFF-LBPRGKRZSA-N 0 3 347.371 2.344 20 5 EEBDHN C[C@H]1C[N@@H+](CCCOC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)CCO1 ZINC000893391556 685229477 /nfs/dbraw/zinc/22/94/77/685229477.db2.gz MNAMCZNETSXEFF-LBPRGKRZSA-N 0 3 347.371 2.344 20 5 EEBDHN O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000985136653 685837449 /nfs/dbraw/zinc/83/74/49/685837449.db2.gz AESSRXFZNOCDMY-YEORSEQZSA-N 0 3 348.428 2.212 20 5 EEBDHN Cn1ccc(C(=O)N2CCC(NCc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000991057401 694515436 /nfs/dbraw/zinc/51/54/36/694515436.db2.gz XGKNNCZCLQWRRE-UHFFFAOYSA-N 0 3 348.428 2.389 20 5 EEBDHN Cc1cc(N(C)CCN(C)C(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001105484336 1188101518 /nfs/dbraw/zinc/10/15/18/1188101518.db2.gz HCDANHLCRBVISL-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCc3cccnc32)c1 ZINC000905601553 1189788546 /nfs/dbraw/zinc/78/85/46/1189788546.db2.gz JPQHLIZKQXEUAY-NVXWUHKLSA-N 0 3 343.383 2.397 20 5 EEBDHN Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877347451 1199910343 /nfs/dbraw/zinc/91/03/43/1199910343.db2.gz XZRIVTWEACPTKD-HNNXBMFYSA-N 0 3 325.368 2.348 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(CO)(CO)CC3)o2)c1 ZINC000877797464 1200114320 /nfs/dbraw/zinc/11/43/20/1200114320.db2.gz JQAFJBIMRHPHGG-UHFFFAOYSA-N 0 3 346.383 2.422 20 5 EEBDHN CC(COC(=O)C1CCN(c2nc3ccccc3o2)CC1)[N+](=O)[O-] ZINC000813110865 1201121986 /nfs/dbraw/zinc/12/19/86/1201121986.db2.gz KXNLFGCNTAHPFS-NSHDSACASA-N 0 3 333.344 2.253 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110625 1201122040 /nfs/dbraw/zinc/12/20/40/1201122040.db2.gz FWWJZXNZXHEVIB-ZCFIWIBFSA-N 0 3 347.121 2.488 20 5 EEBDHN COc1cc(CN[C@@H](CO)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000883187388 1202028334 /nfs/dbraw/zinc/02/83/34/1202028334.db2.gz MYEAENOQLXHOLA-CYBMUJFWSA-N 0 3 326.393 2.499 20 5 EEBDHN COc1ccc([C@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2)cc1 ZINC000886309126 1202490683 /nfs/dbraw/zinc/49/06/83/1202490683.db2.gz UOLAYHTWTQVABU-MRXNPFEDSA-N 0 3 328.372 2.145 20 5 EEBDHN O=C(/C=C/C1CC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048746667 1238502996 /nfs/dbraw/zinc/50/29/96/1238502996.db2.gz XEGZSWFWXLKALM-CZIQXLRQSA-N 0 3 341.411 2.451 20 5 EEBDHN CN(C)C1(C(=O)N2CCCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001057188376 1242320734 /nfs/dbraw/zinc/32/07/34/1242320734.db2.gz IWBQKDXXSMLFPO-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097203446 1243818555 /nfs/dbraw/zinc/81/85/55/1243818555.db2.gz KOJPCQHOKRWCLN-GASCZTMLSA-N 0 3 334.420 2.304 20 5 EEBDHN CN(C)C1(C(=O)NCCN(c2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001101398876 1245765841 /nfs/dbraw/zinc/76/58/41/1245765841.db2.gz YYZJYDSWFWMPIT-UHFFFAOYSA-N 0 3 346.431 2.164 20 5 EEBDHN O=[N+]([O-])c1c(F)cccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216518394 1297200512 /nfs/dbraw/zinc/20/05/12/1297200512.db2.gz WQSGHXGJSTXLSV-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111814438 1303930587 /nfs/dbraw/zinc/93/05/87/1303930587.db2.gz IUPKVQBAJYMTQT-UHFFFAOYSA-N 0 3 334.420 2.386 20 5 EEBDHN CCN1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234360180 1304897905 /nfs/dbraw/zinc/89/79/05/1304897905.db2.gz NNGDSFZDUAKVNR-OAHLLOKOSA-N 0 3 335.404 2.295 20 5 EEBDHN O=C1NCCN(Cc2c3ccccc3cc3ccccc32)C12CNC2 ZINC001235072032 1305106417 /nfs/dbraw/zinc/10/64/17/1305106417.db2.gz ZECHJXIDZMWJAF-UHFFFAOYSA-N 0 3 331.419 2.267 20 5 EEBDHN COc1nc(C)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001155253529 1317523640 /nfs/dbraw/zinc/52/36/40/1317523640.db2.gz BUCXWVJWRHEJSM-MRVPVSSYSA-N 0 3 328.332 2.060 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160338322 1320138532 /nfs/dbraw/zinc/13/85/32/1320138532.db2.gz WSFRMGKLFJNQNH-UHFFFAOYSA-N 0 3 347.338 2.244 20 5 EEBDHN COc1cc2ncnc(Nc3ccc(CN)nc3)c2cc1[N+](=O)[O-] ZINC001160402416 1320155011 /nfs/dbraw/zinc/15/50/11/1320155011.db2.gz SYZAMNBKLDKVFK-UHFFFAOYSA-N 0 3 326.316 2.144 20 5 EEBDHN O=C(Cc1ccccc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161130077 1320396853 /nfs/dbraw/zinc/39/68/53/1320396853.db2.gz MFIGQVRSNMATKR-UHFFFAOYSA-N 0 3 327.384 2.433 20 5 EEBDHN COc1nc(-n2c3ccccc3nc2[C@H](C)N)nc(C)c1[N+](=O)[O-] ZINC001162759342 1320951526 /nfs/dbraw/zinc/95/15/26/1320951526.db2.gz QTTADVHJBDZZCR-QMMMGPOBSA-N 0 3 328.332 2.060 20 5 EEBDHN Cc1cc(CN)nn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001163981736 1321262043 /nfs/dbraw/zinc/26/20/43/1321262043.db2.gz PNGKEIBYEQRQIJ-UHFFFAOYSA-N 0 3 329.129 2.449 20 5 EEBDHN CC[NH+](CC)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309964717 1331649935 /nfs/dbraw/zinc/64/99/35/1331649935.db2.gz AKYUYRDLDTUNFD-SNVBAGLBSA-N 0 3 349.478 2.363 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC001321720627 1333148467 /nfs/dbraw/zinc/14/84/67/1333148467.db2.gz NIXZDFDMNWPJPO-UONOGXRCSA-N 0 3 341.433 2.054 20 5 EEBDHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccn[nH]1 ZINC001752243008 1406237851 /nfs/dbraw/zinc/23/78/51/1406237851.db2.gz IQLSLJXWUFFJRY-UHFFFAOYSA-N 0 3 343.387 2.102 20 5 EEBDHN CCCN(C)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101370229 782658891 /nfs/dbraw/zinc/65/88/91/782658891.db2.gz NJMOONHDMAZVSO-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001112089930 769482848 /nfs/dbraw/zinc/48/28/48/769482848.db2.gz HHPIYUOSKDDLTN-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cc2c([nH]1)CCC2 ZINC001170903091 785255616 /nfs/dbraw/zinc/25/56/16/785255616.db2.gz MYDSDQAEKQFCAN-UHFFFAOYSA-N 0 3 348.428 2.383 20 5 EEBDHN CSc1nc(Cl)nc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160402592 788776943 /nfs/dbraw/zinc/77/69/43/788776943.db2.gz WQDOMXGEHOBJDB-UHFFFAOYSA-N 0 3 326.769 2.357 20 5 EEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000915624033 796342582 /nfs/dbraw/zinc/34/25/82/796342582.db2.gz YDEOPJGIQZSTKQ-GFCCVEGCSA-N 0 3 339.417 2.030 20 5 EEBDHN Cc1cnc(NC2CCN(C(=O)CN(C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095228222 797549476 /nfs/dbraw/zinc/54/94/76/797549476.db2.gz ATVADWOTTSHBNY-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN Cc1ccc(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001176170474 798363421 /nfs/dbraw/zinc/36/34/21/798363421.db2.gz WLAFJMNUBZOVGN-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001086293560 802682179 /nfs/dbraw/zinc/68/21/79/802682179.db2.gz IIURUZDGFIUIOI-MQMHXKEQSA-N 0 3 329.356 2.486 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109452348 805487595 /nfs/dbraw/zinc/48/75/95/805487595.db2.gz JYXOATKHLUDIBC-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788916601 807758628 /nfs/dbraw/zinc/75/86/28/807758628.db2.gz QUOSSBFFFAMCMV-UHFFFAOYSA-N 0 3 347.462 2.153 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170353383 809901995 /nfs/dbraw/zinc/90/19/95/809901995.db2.gz XJNKYZVNGFURBI-LBPRGKRZSA-N 0 3 349.387 2.109 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)cc1SC ZINC000103186322 219267247 /nfs/dbraw/zinc/26/72/47/219267247.db2.gz OATKJYFJLCNJBM-UHFFFAOYSA-N 0 3 339.417 2.149 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425488999 241148313 /nfs/dbraw/zinc/14/83/13/241148313.db2.gz XUTISJRVAIUOPD-INIZCTEOSA-N 0 3 334.420 2.195 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@H](CC)N2CCCC2)c1[N+](=O)[O-] ZINC000077928343 217000772 /nfs/dbraw/zinc/00/07/72/217000772.db2.gz URSAYTJVKMEKFK-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738065 245229846 /nfs/dbraw/zinc/22/98/46/245229846.db2.gz AAGHEJOMTVFSER-KBPBESRZSA-N 0 3 333.388 2.389 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110997241 220090534 /nfs/dbraw/zinc/09/05/34/220090534.db2.gz RHSVAOQODXKQLY-GFCCVEGCSA-N 0 3 336.348 2.107 20 5 EEBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265088532 247191658 /nfs/dbraw/zinc/19/16/58/247191658.db2.gz SIVRBWJLXSBLIB-JTQLQIEISA-N 0 3 337.767 2.062 20 5 EEBDHN C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521107 248342843 /nfs/dbraw/zinc/34/28/43/248342843.db2.gz CPNGUUVVCUEBIG-NHYWBVRUSA-N 0 3 338.795 2.499 20 5 EEBDHN COC[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000271210977 256220311 /nfs/dbraw/zinc/22/03/11/256220311.db2.gz YAVOLHQJSBKRSZ-ZDUSSCGKSA-N 0 3 330.388 2.464 20 5 EEBDHN CC(C)NC(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000273685843 256318026 /nfs/dbraw/zinc/31/80/26/256318026.db2.gz ASIVGECIYIUTQP-UHFFFAOYSA-N 0 3 332.404 2.407 20 5 EEBDHN COc1cc(CN2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306954 256372683 /nfs/dbraw/zinc/37/26/83/256372683.db2.gz LCJIYOXHVFJKML-UKRRQHHQSA-N 0 3 343.424 2.220 20 5 EEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCN(C)CC1 ZINC000119627646 221362205 /nfs/dbraw/zinc/36/22/05/221362205.db2.gz SKMHOQXOEXBATR-UHFFFAOYSA-N 0 3 328.372 2.309 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495458149 533382524 /nfs/dbraw/zinc/38/25/24/533382524.db2.gz HIMJNYPPBVJRQQ-SOKLDJIMSA-N 0 3 331.372 2.428 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000120371666 142387276 /nfs/dbraw/zinc/38/72/76/142387276.db2.gz FPAHMJUSONKUPF-UHFFFAOYSA-N 0 3 335.404 2.325 20 5 EEBDHN Cc1c(CC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000120863879 292258626 /nfs/dbraw/zinc/25/86/26/292258626.db2.gz ZSVDXDQREZADSJ-INIZCTEOSA-N 0 3 349.431 2.015 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254454 152874268 /nfs/dbraw/zinc/87/42/68/152874268.db2.gz BCMSXTKTJTXOCT-ZQIUZPCESA-N 0 3 331.416 2.326 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000123187999 292279640 /nfs/dbraw/zinc/27/96/40/292279640.db2.gz SUHQESXNELNIJD-WFASDCNBSA-N 0 3 344.415 2.288 20 5 EEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125609926 292298307 /nfs/dbraw/zinc/29/83/07/292298307.db2.gz RSKSRHKJNLWJEZ-CJNGLKHVSA-N 0 3 346.431 2.391 20 5 EEBDHN Cc1nccn1CCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128783195 292347212 /nfs/dbraw/zinc/34/72/12/292347212.db2.gz YIVHEPITTPPJQU-HNNXBMFYSA-N 0 3 344.419 2.461 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(C)C)CC1 ZINC000075635414 159075286 /nfs/dbraw/zinc/07/52/86/159075286.db2.gz MKRRKXYKXMHIGG-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CCCN(CCN(C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000104530210 159287076 /nfs/dbraw/zinc/28/70/76/159287076.db2.gz ZNIXWVRVVDIIFG-UHFFFAOYSA-N 0 3 325.434 2.487 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000190324146 160157998 /nfs/dbraw/zinc/15/79/98/160157998.db2.gz HSNRFJAVXQKEOP-VXGBXAGGSA-N 0 3 340.449 2.377 20 5 EEBDHN COC1(C)CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000342182320 161045938 /nfs/dbraw/zinc/04/59/38/161045938.db2.gz RQNHDAQAPZCMBX-UHFFFAOYSA-N 0 3 349.387 2.394 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343446097 161136910 /nfs/dbraw/zinc/13/69/10/161136910.db2.gz LUXCDTFLHCPJHH-SMDDNHRTSA-N 0 3 332.404 2.382 20 5 EEBDHN CN(CCCN(C)c1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccco1 ZINC000343822758 161171380 /nfs/dbraw/zinc/17/13/80/161171380.db2.gz ZVRRSFQUSQXZOK-UHFFFAOYSA-N 0 3 346.387 2.245 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C2CC2)CCO1 ZINC000344797220 161246531 /nfs/dbraw/zinc/24/65/31/161246531.db2.gz WCQFTHOTQCVEIP-WAFIBAPDSA-N 0 3 331.416 2.451 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000346316924 161362373 /nfs/dbraw/zinc/36/23/73/161362373.db2.gz IHWRBOKUQWPBAQ-GOSISDBHSA-N 0 3 347.415 2.226 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352803245 162294372 /nfs/dbraw/zinc/29/43/72/162294372.db2.gz YGDXLWGCBKHDCT-ZWNOBZJWSA-N 0 3 339.417 2.273 20 5 EEBDHN CN(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000359098031 164058430 /nfs/dbraw/zinc/05/84/30/164058430.db2.gz BXFQINPMFGHZBC-SFHVURJKSA-N 0 3 341.411 2.426 20 5 EEBDHN O=C(C1CCN(C2CC2)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359620820 164139011 /nfs/dbraw/zinc/13/90/11/164139011.db2.gz WCYHWDABKNUENW-UHFFFAOYSA-N 0 3 345.399 2.190 20 5 EEBDHN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275155622 269099071 /nfs/dbraw/zinc/09/90/71/269099071.db2.gz YXGABFWNEBWFDY-NSHDSACASA-N 0 3 331.294 2.095 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000279285621 269267538 /nfs/dbraw/zinc/26/75/38/269267538.db2.gz XIBSFXNJQUXVCN-NSHDSACASA-N 0 3 336.367 2.017 20 5 EEBDHN Cc1ccc(NCCCNC(=O)C23CCCN2CCC3)c([N+](=O)[O-])c1 ZINC000279364768 269274439 /nfs/dbraw/zinc/27/44/39/269274439.db2.gz GJYFQZSHAVEFRE-UHFFFAOYSA-N 0 3 346.431 2.450 20 5 EEBDHN Cc1cc(NCC2(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280630478 269380634 /nfs/dbraw/zinc/38/06/34/269380634.db2.gz ZVNKFOKQOHIXRE-UHFFFAOYSA-N 0 3 335.385 2.441 20 5 EEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](O)CN1CCCCC1 ZINC000278211685 274341471 /nfs/dbraw/zinc/34/14/71/274341471.db2.gz FRJFLRPCKJXNTR-JTQLQIEISA-N 0 3 348.325 2.267 20 5 EEBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075870 274834048 /nfs/dbraw/zinc/83/40/48/274834048.db2.gz JWFGREZPOFDCIM-JQWIXIFHSA-N 0 3 341.795 2.327 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287205731 274944610 /nfs/dbraw/zinc/94/46/10/274944610.db2.gz POKMXMPPGXMQIZ-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000288231136 275037307 /nfs/dbraw/zinc/03/73/07/275037307.db2.gz FEUJPPFWFPQBOJ-QWHCGFSZSA-N 0 3 332.404 2.184 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(C[C@@H]2CCOC2)CC1 ZINC000450367658 275039674 /nfs/dbraw/zinc/03/96/74/275039674.db2.gz CSBKHSZDKGZBHJ-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487788 275063304 /nfs/dbraw/zinc/06/33/04/275063304.db2.gz RIKNWAUSBQBDLH-UKRRQHHQSA-N 0 3 346.431 2.360 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487779 275063350 /nfs/dbraw/zinc/06/33/50/275063350.db2.gz RIKNWAUSBQBDLH-DZGCQCFKSA-N 0 3 346.431 2.360 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCOC)CCN(C)C ZINC000289548826 275126466 /nfs/dbraw/zinc/12/64/66/275126466.db2.gz XNRHTDNPBFMZCP-UHFFFAOYSA-N 0 3 325.409 2.004 20 5 EEBDHN C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CN1C1CC1 ZINC000290525946 275215312 /nfs/dbraw/zinc/21/53/12/275215312.db2.gz CVFKUGADKXLFLL-UWVGGRQHSA-N 0 3 329.360 2.281 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673783 275328701 /nfs/dbraw/zinc/32/87/01/275328701.db2.gz QIIWXFUTIBHFLS-GUYCJALGSA-N 0 3 332.404 2.393 20 5 EEBDHN CC1(C)CCCN[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262219091 275816355 /nfs/dbraw/zinc/81/63/55/275816355.db2.gz MMVKYNNTMBYYKV-INIZCTEOSA-N 0 3 346.431 2.022 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000269356820 276041415 /nfs/dbraw/zinc/04/14/15/276041415.db2.gz UIYKDPACINYXMX-ZDUSSCGKSA-N 0 3 345.403 2.474 20 5 EEBDHN COc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000375375994 278016362 /nfs/dbraw/zinc/01/63/62/278016362.db2.gz AQDPELFYYPFEHF-LSDHHAIUSA-N 0 3 348.447 2.066 20 5 EEBDHN C[C@@H](CCS(C)(=O)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964081 278235240 /nfs/dbraw/zinc/23/52/40/278235240.db2.gz AVPHUPIDTMIOIM-XHDPSFHLSA-N 0 3 326.418 2.385 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842811 279313032 /nfs/dbraw/zinc/31/30/32/279313032.db2.gz NZJPTIXKVCSAMF-RDTXWAMCSA-N 0 3 332.448 2.198 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293505407 293224964 /nfs/dbraw/zinc/22/49/64/293224964.db2.gz UTFSSOTXOAZKCT-OKILXGFUSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293753719 293287184 /nfs/dbraw/zinc/28/71/84/293287184.db2.gz SUVTXZAQYBLIOA-GFCCVEGCSA-N 0 3 332.404 2.123 20 5 EEBDHN CN1CC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000350183993 312317189 /nfs/dbraw/zinc/31/71/89/312317189.db2.gz REQFNGLFPOKZKW-JTQLQIEISA-N 0 3 327.344 2.469 20 5 EEBDHN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414321580 312997799 /nfs/dbraw/zinc/99/77/99/312997799.db2.gz CTXPUMBPBPPKQN-GFCCVEGCSA-N 0 3 326.418 2.460 20 5 EEBDHN O=C(NCCCNCc1cccnc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635312 313155844 /nfs/dbraw/zinc/15/58/44/313155844.db2.gz UIPQYQQQTWHHNQ-UHFFFAOYSA-N 0 3 347.350 2.430 20 5 EEBDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225706 318053083 /nfs/dbraw/zinc/05/30/83/318053083.db2.gz JHKFQAKGBHGGII-ZFWWWQNUSA-N 0 3 348.403 2.290 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000541107260 318092876 /nfs/dbraw/zinc/09/28/76/318092876.db2.gz URTPWADWSLYEQX-ZDUSSCGKSA-N 0 3 334.376 2.305 20 5 EEBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414469 318387204 /nfs/dbraw/zinc/38/72/04/318387204.db2.gz GBMAZXPGSSSGSP-NSHDSACASA-N 0 3 349.416 2.021 20 5 EEBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499008 465187380 /nfs/dbraw/zinc/18/73/80/465187380.db2.gz CDFKOOFNGWNJJW-HIFRSBDPSA-N 0 3 341.795 2.327 20 5 EEBDHN NC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503795 465190115 /nfs/dbraw/zinc/19/01/15/465190115.db2.gz UAFVZEGVUAPJJF-CABCVRRESA-N 0 3 343.387 2.164 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341801334 465261455 /nfs/dbraw/zinc/26/14/55/465261455.db2.gz VLRAQTLTJMTWPU-WCQYABFASA-N 0 3 328.376 2.214 20 5 EEBDHN Nc1nc(NCC2CCN(Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000060864754 462567468 /nfs/dbraw/zinc/56/74/68/462567468.db2.gz WCRGEHOBUZIOFC-UHFFFAOYSA-N 0 3 348.432 2.353 20 5 EEBDHN CN(C)CCN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153577743 462666515 /nfs/dbraw/zinc/66/65/15/462666515.db2.gz BQXDYULMWHZUDE-UHFFFAOYSA-N 0 3 327.816 2.081 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635382 462699896 /nfs/dbraw/zinc/69/98/96/462699896.db2.gz CQGLBOXOULLKEK-IUODEOHRSA-N 0 3 340.445 2.329 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119460474 462903126 /nfs/dbraw/zinc/90/31/26/462903126.db2.gz NPSZSBILTHHUMG-VIFPVBQESA-N 0 3 342.193 2.039 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000590756119 468328735 /nfs/dbraw/zinc/32/87/35/468328735.db2.gz GSHZJHYHRPONIG-IUIKQTSFSA-N 0 3 333.388 2.245 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000134015963 462995582 /nfs/dbraw/zinc/99/55/82/462995582.db2.gz MPDCTGYFURIQBA-GXTWGEPZSA-N 0 3 343.387 2.101 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000068341682 463123915 /nfs/dbraw/zinc/12/39/15/463123915.db2.gz ANPGCQNRQYUKHI-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055405514 463316871 /nfs/dbraw/zinc/31/68/71/463316871.db2.gz VWHMCGQEHKWCBA-ZIAGYGMSSA-N 0 3 335.404 2.210 20 5 EEBDHN Cc1cc(N[C@@H](C)CN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083861 463317369 /nfs/dbraw/zinc/31/73/69/463317369.db2.gz JUUDBSKBWAIWIP-AWEZNQCLSA-N 0 3 343.431 2.499 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N(C)C ZINC000033093536 463412336 /nfs/dbraw/zinc/41/23/36/463412336.db2.gz DIIJTBYMCKRFAH-ZDUSSCGKSA-N 0 3 334.420 2.265 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522203927 468361827 /nfs/dbraw/zinc/36/18/27/468361827.db2.gz KXCPZSLFWFIJQI-GFCCVEGCSA-N 0 3 349.387 2.318 20 5 EEBDHN Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000057705563 463510001 /nfs/dbraw/zinc/51/00/01/463510001.db2.gz QPEAAWMUOCKDJR-VIFPVBQESA-N 0 3 336.348 2.024 20 5 EEBDHN CN(C)[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109804599 463651054 /nfs/dbraw/zinc/65/10/54/463651054.db2.gz JXZGBXCGHYQKBE-LBPRGKRZSA-N 0 3 340.811 2.213 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](N4CCCC4)C3)n2)cc1 ZINC000170741323 463701845 /nfs/dbraw/zinc/70/18/45/463701845.db2.gz CWFNDUXCLUTDFV-HNNXBMFYSA-N 0 3 343.387 2.315 20 5 EEBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194117341 463793597 /nfs/dbraw/zinc/79/35/97/463793597.db2.gz NRHHRQQSFDFXFM-UHFFFAOYSA-N 0 3 349.840 2.114 20 5 EEBDHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414390 463859138 /nfs/dbraw/zinc/85/91/38/463859138.db2.gz PAEGFSAQKTZRRW-MNOVXSKESA-N 0 3 335.360 2.430 20 5 EEBDHN CCOc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287546445 463923416 /nfs/dbraw/zinc/92/34/16/463923416.db2.gz WDCZIBOIOQNKHE-HNNXBMFYSA-N 0 3 347.415 2.438 20 5 EEBDHN COc1cc(C(=O)NC[C@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262271184 463987037 /nfs/dbraw/zinc/98/70/37/463987037.db2.gz SNPCLVWKJFNDKN-OAHLLOKOSA-N 0 3 341.367 2.220 20 5 EEBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000186931949 464081632 /nfs/dbraw/zinc/08/16/32/464081632.db2.gz WXACAORZSFWIKQ-WFASDCNBSA-N 0 3 331.372 2.495 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000270171241 464208111 /nfs/dbraw/zinc/20/81/11/464208111.db2.gz AHAARMBZIALRQI-CQSZACIVSA-N 0 3 340.387 2.306 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc([N+](=O)[O-])c1C ZINC000188616134 464325395 /nfs/dbraw/zinc/32/53/95/464325395.db2.gz SUOAURBLHFVLJS-UONOGXRCSA-N 0 3 333.388 2.221 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264494196 464349785 /nfs/dbraw/zinc/34/97/85/464349785.db2.gz JPGVYFXNQPKGKA-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264627282 464400073 /nfs/dbraw/zinc/40/00/73/464400073.db2.gz SVDSVBBHRVSAKT-RHSMWYFYSA-N 0 3 346.431 2.482 20 5 EEBDHN CN(C)CC1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281636971 464530615 /nfs/dbraw/zinc/53/06/15/464530615.db2.gz HDEFYLUGCLRKFJ-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CCO[C@H]1C[C@@](CO)(NCCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971464 464574902 /nfs/dbraw/zinc/57/49/02/464574902.db2.gz NTMNHHZOYFBRQN-RDJZCZTQSA-N 0 3 338.404 2.129 20 5 EEBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265806737 464693101 /nfs/dbraw/zinc/69/31/01/464693101.db2.gz SAAUZNRCWNWBKA-JKSUJKDBSA-N 0 3 342.399 2.285 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000273870663 464727272 /nfs/dbraw/zinc/72/72/72/464727272.db2.gz QAQJLXZRBXXHCQ-IAGOWNOFSA-N 0 3 330.388 2.379 20 5 EEBDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000249097904 464839622 /nfs/dbraw/zinc/83/96/22/464839622.db2.gz IUZXVABBJSGHQK-ZLENFMNRSA-N 0 3 335.404 2.305 20 5 EEBDHN CN(C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])Cc2ccccc2C1 ZINC000295751508 464952743 /nfs/dbraw/zinc/95/27/43/464952743.db2.gz HAUKLIAQDDVTHI-UHFFFAOYSA-N 0 3 333.432 2.037 20 5 EEBDHN NC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000358799248 465329114 /nfs/dbraw/zinc/32/91/14/465329114.db2.gz MJEUXRFCVPKBKO-KRWDZBQOSA-N 0 3 343.358 2.361 20 5 EEBDHN O=C1c2ccccc2C(=O)N1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000353032683 465591648 /nfs/dbraw/zinc/59/16/48/465591648.db2.gz HHRHRYIHDIAMLF-UHFFFAOYSA-N 0 3 339.351 2.371 20 5 EEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348229 465670134 /nfs/dbraw/zinc/67/01/34/465670134.db2.gz GBWULYKBJADEHN-UHFFFAOYSA-N 0 3 348.378 2.786 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000361011772 465701163 /nfs/dbraw/zinc/70/11/63/465701163.db2.gz DBEICSIDDSLVTC-CHWSQXEVSA-N 0 3 339.465 2.136 20 5 EEBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011018 468449865 /nfs/dbraw/zinc/44/98/65/468449865.db2.gz UDAXVAUZEBONKP-DOTOQJQBSA-N 0 3 331.372 2.470 20 5 EEBDHN Cc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299446773 465751148 /nfs/dbraw/zinc/75/11/48/465751148.db2.gz NXNJLMAYFBYVPN-GFCCVEGCSA-N 0 3 347.375 2.176 20 5 EEBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000330706739 465770425 /nfs/dbraw/zinc/77/04/25/465770425.db2.gz LZHSFYIPEAVQST-OCCSQVGLSA-N 0 3 325.384 2.011 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000345318002 465854072 /nfs/dbraw/zinc/85/40/72/465854072.db2.gz LJSTYAPYKCNZCM-QMTHXVAHSA-N 0 3 344.371 2.061 20 5 EEBDHN CC(C)N(C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495560 465930655 /nfs/dbraw/zinc/93/06/55/465930655.db2.gz IPKQGFLLGDHRJR-MRXNPFEDSA-N 0 3 331.420 2.348 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170545 465958137 /nfs/dbraw/zinc/95/81/37/465958137.db2.gz AOILASFMYSFRSW-YNEHKIRRSA-N 0 3 349.435 2.244 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170545 465958147 /nfs/dbraw/zinc/95/81/47/465958147.db2.gz AOILASFMYSFRSW-YNEHKIRRSA-N 0 3 349.435 2.244 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000353555753 465974297 /nfs/dbraw/zinc/97/42/97/465974297.db2.gz WESIZEMXMFAIOB-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660404 466162672 /nfs/dbraw/zinc/16/26/72/466162672.db2.gz AVYFQNQEYVMYDK-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000338715422 466330719 /nfs/dbraw/zinc/33/07/19/466330719.db2.gz DWKWCBMAMMXUOB-AWEZNQCLSA-N 0 3 348.355 2.368 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000597236091 468490681 /nfs/dbraw/zinc/49/06/81/468490681.db2.gz NVVPODRXNDQJNA-ACJLOTCBSA-N 0 3 344.415 2.446 20 5 EEBDHN COc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000332229946 466458277 /nfs/dbraw/zinc/45/82/77/466458277.db2.gz PSSYHEOBRIUVQJ-OCCSQVGLSA-N 0 3 333.388 2.160 20 5 EEBDHN O=[N+]([O-])c1ccc(NCc2ccc(OCCN3CCCC3)cc2)nc1 ZINC000347280875 466532087 /nfs/dbraw/zinc/53/20/87/466532087.db2.gz TUNKNPZAHBPHOR-UHFFFAOYSA-N 0 3 342.399 3.077 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347327993 466569212 /nfs/dbraw/zinc/56/92/12/466569212.db2.gz YMFFIINLRANZSS-CQSZACIVSA-N 0 3 333.388 2.350 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591681284 468502337 /nfs/dbraw/zinc/50/23/37/468502337.db2.gz BJMBYRKZUYAZFZ-UHFFFAOYSA-N 0 3 342.355 2.287 20 5 EEBDHN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H](N)c1ccccc1 ZINC000423823539 466858752 /nfs/dbraw/zinc/85/87/52/466858752.db2.gz IETUEHCKJKASHV-PXAZEXFGSA-N 0 3 340.383 2.211 20 5 EEBDHN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](CN)C1CC1 ZINC000423945223 466923464 /nfs/dbraw/zinc/92/34/64/466923464.db2.gz IDOAKOJTERPXOI-LJQANCHMSA-N 0 3 349.434 2.350 20 5 EEBDHN CN(C)[C@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000412173985 467031323 /nfs/dbraw/zinc/03/13/23/467031323.db2.gz WCFFXNZWTZWBQC-UXLLHSPISA-N 0 3 349.456 2.252 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412242370 467048383 /nfs/dbraw/zinc/04/83/83/467048383.db2.gz DCVORKRDGPLQKB-XLNGHYISSA-N 0 3 329.400 2.251 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425488950 467098616 /nfs/dbraw/zinc/09/86/16/467098616.db2.gz XNASANSUUSJCRF-INIZCTEOSA-N 0 3 334.420 2.195 20 5 EEBDHN CCN1CCN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413055229 467162031 /nfs/dbraw/zinc/16/20/31/467162031.db2.gz QKHLZVNNUMWQNU-UHFFFAOYSA-N 0 3 343.431 2.583 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000378170222 467218557 /nfs/dbraw/zinc/21/85/57/467218557.db2.gz LQVSHKQWNNCFOL-ZBFHGGJFSA-N 0 3 339.823 2.279 20 5 EEBDHN CCn1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056600 467287622 /nfs/dbraw/zinc/28/76/22/467287622.db2.gz ZMLRUIORNDLVEU-CABCVRRESA-N 0 3 345.403 2.246 20 5 EEBDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305125 467322902 /nfs/dbraw/zinc/32/29/02/467322902.db2.gz ZOISHQSQNSISOB-FZMZJTMJSA-N 0 3 341.367 2.384 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000452118676 467330070 /nfs/dbraw/zinc/33/00/70/467330070.db2.gz PDGJZDHUGWIWTI-CQSZACIVSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420368438 467381012 /nfs/dbraw/zinc/38/10/12/467381012.db2.gz AQTLLYRSYKFCNN-CJNGLKHVSA-N 0 3 344.419 2.352 20 5 EEBDHN COCC(C)(C)N(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000430125185 467401492 /nfs/dbraw/zinc/40/14/92/467401492.db2.gz BXDOFZKMFYAZIQ-UHFFFAOYSA-N 0 3 340.376 2.003 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415307725 467540313 /nfs/dbraw/zinc/54/03/13/467540313.db2.gz ZBYIQPDHDQXCGM-LLVKDONJSA-N 0 3 328.319 2.330 20 5 EEBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449598659 467668090 /nfs/dbraw/zinc/66/80/90/467668090.db2.gz COTGSEDKPVLKOE-NSHDSACASA-N 0 3 347.371 2.478 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450199133 467797617 /nfs/dbraw/zinc/79/76/17/467797617.db2.gz UEPADZIFADHCDV-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487956549 468062897 /nfs/dbraw/zinc/06/28/97/468062897.db2.gz LTPLRJJNDNSSPB-CZUORRHYSA-N 0 3 334.420 2.194 20 5 EEBDHN CNC(=O)c1ccc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753699 468102295 /nfs/dbraw/zinc/10/22/95/468102295.db2.gz NDNVWQJDFRWZQK-HEHGZKQESA-N 0 3 346.431 2.121 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000548889074 468153782 /nfs/dbraw/zinc/15/37/82/468153782.db2.gz KUPPNPWVGBLBBC-OAHLLOKOSA-N 0 3 334.420 2.121 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594199287 468510457 /nfs/dbraw/zinc/51/04/57/468510457.db2.gz JJWUDGSQWXHAPG-CVEARBPZSA-N 0 3 333.388 2.107 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594596539 468630870 /nfs/dbraw/zinc/63/08/70/468630870.db2.gz ANQLUUJNPQVLLZ-DGCLKSJQSA-N 0 3 334.376 2.205 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000592140013 468634473 /nfs/dbraw/zinc/63/44/73/468634473.db2.gz SYENEIWQCWTTSX-NVXWUHKLSA-N 0 3 343.383 2.219 20 5 EEBDHN CN(CC(=O)N1CCNC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594628691 468640119 /nfs/dbraw/zinc/64/01/19/468640119.db2.gz AOOCPUVIENIPHD-UHFFFAOYSA-N 0 3 346.431 2.166 20 5 EEBDHN CC[C@H](C)C[C@@H](CO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375626 468685668 /nfs/dbraw/zinc/68/56/68/468685668.db2.gz XDDFXNCYXSQSPK-AAEUAGOBSA-N 0 3 326.393 2.499 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961905 468732241 /nfs/dbraw/zinc/73/22/41/468732241.db2.gz PAGJSYFJEPQWLS-VJBOLBCHSA-N 0 3 326.418 2.383 20 5 EEBDHN CCCN1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598344086 468837643 /nfs/dbraw/zinc/83/76/43/468837643.db2.gz ZTCICGBIILJRBJ-AWEZNQCLSA-N 0 3 333.388 2.158 20 5 EEBDHN COc1ccc(OCCN(C2CC2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000595534508 468890152 /nfs/dbraw/zinc/89/01/52/468890152.db2.gz VJARNJSYVBNDFF-UHFFFAOYSA-N 0 3 336.388 2.362 20 5 EEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543086 468894712 /nfs/dbraw/zinc/89/47/12/468894712.db2.gz IPAJDWWIUGUZOH-GOSISDBHSA-N 0 3 343.358 2.363 20 5 EEBDHN O=C1NCCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602687595 469010856 /nfs/dbraw/zinc/01/08/56/469010856.db2.gz NZEPLPQFCYBIDO-SNVBAGLBSA-N 0 3 331.294 2.229 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000602782887 469070870 /nfs/dbraw/zinc/07/08/70/469070870.db2.gz XZFHCGWDOQZVCV-HNNXBMFYSA-N 0 3 343.431 2.306 20 5 EEBDHN C[C@@H](CN1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587185714 469086576 /nfs/dbraw/zinc/08/65/76/469086576.db2.gz WOMAPLVQDAVECY-LBPRGKRZSA-N 0 3 347.419 2.072 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CCC(C)CC1 ZINC000596488258 469282005 /nfs/dbraw/zinc/28/20/05/469282005.db2.gz PFNFPUUTFGOHPO-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN Cn1cc(CCNCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602522594 469349078 /nfs/dbraw/zinc/34/90/78/469349078.db2.gz UIJAKNBWOIIVKO-UHFFFAOYSA-N 0 3 345.222 2.485 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000616014449 469353815 /nfs/dbraw/zinc/35/38/15/469353815.db2.gz VISAUQUPSWOEFL-WBVHZDCISA-N 0 3 337.395 2.467 20 5 EEBDHN Cc1cccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000619431462 469604156 /nfs/dbraw/zinc/60/41/56/469604156.db2.gz PRFGAYJRJOGWPT-UHFFFAOYSA-N 0 3 329.356 2.402 20 5 EEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000609442435 469927483 /nfs/dbraw/zinc/92/74/83/469927483.db2.gz FBJYXGACLPHYBT-UHFFFAOYSA-N 0 3 330.319 2.091 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cccn2)c1 ZINC000183566077 533876418 /nfs/dbraw/zinc/87/64/18/533876418.db2.gz QYYGUAAZMWLYKQ-ZDUSSCGKSA-N 0 3 326.360 2.328 20 5 EEBDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181895155 534252841 /nfs/dbraw/zinc/25/28/41/534252841.db2.gz RPPGQIFDFAEPST-AGIUHOORSA-N 0 3 326.418 2.160 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000425043783 536488438 /nfs/dbraw/zinc/48/84/38/536488438.db2.gz GKKJKNXUCWWHLX-MEDUHNTESA-N 0 3 328.372 2.242 20 5 EEBDHN CCN1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729630342 576669890 /nfs/dbraw/zinc/66/98/90/576669890.db2.gz FGZWGWFFTOWYEE-UHFFFAOYSA-N 0 3 335.433 2.254 20 5 EEBDHN CCOC(=O)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579786 577463086 /nfs/dbraw/zinc/46/30/86/577463086.db2.gz QKBYTDRRRZWZBZ-INIZCTEOSA-N 0 3 336.388 2.293 20 5 EEBDHN CCc1oncc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020658675 675359917 /nfs/dbraw/zinc/35/99/17/675359917.db2.gz ZASVTLGEEXEDDV-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN COc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000892775354 683030435 /nfs/dbraw/zinc/03/04/35/683030435.db2.gz ZMSYBXFAWPFAEU-QGZVFWFLSA-N 0 3 333.388 2.126 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000810315572 1199448639 /nfs/dbraw/zinc/44/86/39/1199448639.db2.gz BVAGSSSEVOTAQF-LSDHHAIUSA-N 0 3 348.403 2.142 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100564 1201095641 /nfs/dbraw/zinc/09/56/41/1201095641.db2.gz UMHGMLLDVRPFCJ-LJWDBELGSA-N 0 3 340.763 2.068 20 5 EEBDHN CCN(CCCNC(=O)CN(C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001095891119 1215133011 /nfs/dbraw/zinc/13/30/11/1215133011.db2.gz OFJFMKAZMKABSB-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111828266 1303958070 /nfs/dbraw/zinc/95/80/70/1303958070.db2.gz YTYYEMPTEFXBJP-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN O=C(COc1cccc(F)c1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150902314 1316404557 /nfs/dbraw/zinc/40/45/57/1316404557.db2.gz GQYYYSHNPDROBW-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(F)cc1 ZINC001254586978 1318135197 /nfs/dbraw/zinc/13/51/97/1318135197.db2.gz UOVXQZDJFOBVBN-MRXNPFEDSA-N 0 3 343.358 2.107 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@](CO)(C(F)(F)F)C1)C2 ZINC001254593944 1318137073 /nfs/dbraw/zinc/13/70/73/1318137073.db2.gz OGWLHSRSANPZKV-KGLIPLIRSA-N 0 3 330.306 2.309 20 5 EEBDHN Cc1ccc(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)o1 ZINC001156744396 1318191545 /nfs/dbraw/zinc/19/15/45/1318191545.db2.gz FHXXLHDBFRVPJE-UHFFFAOYSA-N 0 3 337.401 2.396 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CN5CCC4CC5)no3)c2c1 ZINC001254849506 1318204599 /nfs/dbraw/zinc/20/45/99/1318204599.db2.gz CMJTYOCACKILLN-GFCCVEGCSA-N 0 3 340.343 2.330 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CNCCO1 ZINC001159501439 1319843619 /nfs/dbraw/zinc/84/36/19/1319843619.db2.gz IXYWNBGQCGXTOV-WFASDCNBSA-N 0 3 328.372 2.446 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)COc1ccccc1)CNC2 ZINC001163813081 1321222854 /nfs/dbraw/zinc/22/28/54/1321222854.db2.gz VKVAGZBFOZMUST-CQSZACIVSA-N 0 3 329.356 2.050 20 5 EEBDHN C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CN(C)CCN1C ZINC001262705883 1322353965 /nfs/dbraw/zinc/35/39/65/1322353965.db2.gz WFJFWWHORVWXNN-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN N[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC001332514643 1335839139 /nfs/dbraw/zinc/83/91/39/1335839139.db2.gz ASLNEWCQXAADPJ-QGZVFWFLSA-N 0 3 346.431 2.151 20 5 EEBDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001336956109 1336622458 /nfs/dbraw/zinc/62/24/58/1336622458.db2.gz LIQDOZSYFFTXFS-KRWDZBQOSA-N 0 3 344.367 2.327 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C[C@@H]21 ZINC001337819930 1336740950 /nfs/dbraw/zinc/74/09/50/1336740950.db2.gz BJLDHCROHCLARE-DOMZBBRYSA-N 0 3 340.383 2.106 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC001339273267 1336983947 /nfs/dbraw/zinc/98/39/47/1336983947.db2.gz XAAMIVOAMXUWQU-UHFFFAOYSA-N 0 3 334.420 2.488 20 5 EEBDHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC001339852994 1337085144 /nfs/dbraw/zinc/08/51/44/1337085144.db2.gz FZISAOYITLURGT-ZDUSSCGKSA-N 0 3 334.376 2.448 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1F ZINC001579642416 1344402221 /nfs/dbraw/zinc/40/22/21/1344402221.db2.gz FACQPBAEVNOCFK-RKDXNWHRSA-N 0 3 343.330 2.024 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259539 1349235201 /nfs/dbraw/zinc/23/52/01/1349235201.db2.gz LCDMXGFESNUJLG-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590259539 1349235207 /nfs/dbraw/zinc/23/52/07/1349235207.db2.gz LCDMXGFESNUJLG-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259539 1349235212 /nfs/dbraw/zinc/23/52/12/1349235212.db2.gz LCDMXGFESNUJLG-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590259539 1349235216 /nfs/dbraw/zinc/23/52/16/1349235216.db2.gz LCDMXGFESNUJLG-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN CCC(CC)[N@H+](CCOC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604025983 1350832612 /nfs/dbraw/zinc/83/26/12/1350832612.db2.gz XQPKVINZUUUWHE-UHFFFAOYSA-N 0 3 348.407 2.412 20 5 EEBDHN CCC(CC)[N@@H+](CCOC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604025983 1350832615 /nfs/dbraw/zinc/83/26/15/1350832615.db2.gz XQPKVINZUUUWHE-UHFFFAOYSA-N 0 3 348.407 2.412 20 5 EEBDHN CCC(CC)[N@H+](CCOC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604025983 1350832617 /nfs/dbraw/zinc/83/26/17/1350832617.db2.gz XQPKVINZUUUWHE-UHFFFAOYSA-N 0 3 348.407 2.412 20 5 EEBDHN CCC(CC)[N@@H+](CCOC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604025983 1350832618 /nfs/dbraw/zinc/83/26/18/1350832618.db2.gz XQPKVINZUUUWHE-UHFFFAOYSA-N 0 3 348.407 2.412 20 5 EEBDHN C[NH+](C)C1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCC1 ZINC001604675937 1350982437 /nfs/dbraw/zinc/98/24/37/1350982437.db2.gz VEIZGEYWCPPHHN-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN O=C(NC[C@H]1Cc2ccccc2CN1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580670622 1403867034 /nfs/dbraw/zinc/86/70/34/1403867034.db2.gz JNUGNXGNIWDBKY-OAHLLOKOSA-N 0 3 329.331 2.178 20 5 EEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877385 780266890 /nfs/dbraw/zinc/26/68/90/780266890.db2.gz VZDHBLJZGHRMKO-JKSUJKDBSA-N 0 3 332.404 2.015 20 5 EEBDHN CCNC(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818959384 785345020 /nfs/dbraw/zinc/34/50/20/785345020.db2.gz JCJIUMCDEWTVDO-KRWDZBQOSA-N 0 3 343.383 2.168 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000821354765 786712241 /nfs/dbraw/zinc/71/22/41/786712241.db2.gz NGWCLAGXQFWRKV-KBPBESRZSA-N 0 3 337.445 2.329 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1ncc([N+](=O)[O-])cc1C ZINC001107391347 787104891 /nfs/dbraw/zinc/10/48/91/787104891.db2.gz GILGNKGBAPCYSW-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN CC([C@H](OC(=O)CCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879614 789972730 /nfs/dbraw/zinc/97/27/30/789972730.db2.gz YFLZKRLARBKTMT-SJCJKPOMSA-N 0 3 348.330 2.327 20 5 EEBDHN COC(=O)c1ccnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219192 797299871 /nfs/dbraw/zinc/29/98/71/797299871.db2.gz YQZFNRCTWFXBPJ-GFCCVEGCSA-N 0 3 329.356 2.497 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCC(C)(C)O)CC1 ZINC001173231500 797312540 /nfs/dbraw/zinc/31/25/40/797312540.db2.gz LTQSIWFVMKBSFQ-OAHLLOKOSA-N 0 3 335.448 2.304 20 5 EEBDHN O=C(CCc1nccs1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176434950 798448130 /nfs/dbraw/zinc/44/81/30/798448130.db2.gz CZOOHWNVVAKXJT-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN CN(C)CCn1cc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cn1 ZINC001176450966 798460998 /nfs/dbraw/zinc/46/09/98/798460998.db2.gz ZRCJCNKXUAAWDX-UHFFFAOYSA-N 0 3 347.422 2.436 20 5 EEBDHN COCC(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040559163 799159164 /nfs/dbraw/zinc/15/91/64/799159164.db2.gz KXOBBBDDPWYPQD-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001110266480 801086489 /nfs/dbraw/zinc/08/64/89/801086489.db2.gz XADPFKPBZZEJQS-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cscn1 ZINC001155684176 802838322 /nfs/dbraw/zinc/83/83/22/802838322.db2.gz LIOFUSURDLERLB-UHFFFAOYSA-N 0 3 326.403 2.023 20 5 EEBDHN CCc1cccnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130625553 811855673 /nfs/dbraw/zinc/85/56/73/811855673.db2.gz CZVJRHMUTJCHNH-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1cc(NC[C@H]2CNCCO2)c(Br)cc1[N+](=O)[O-] ZINC000235826737 242285725 /nfs/dbraw/zinc/28/57/25/242285725.db2.gz STQHMAVHXBXQON-SECBINFHSA-N 0 3 330.182 2.066 20 5 EEBDHN Cc1cccc(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000264295171 246309102 /nfs/dbraw/zinc/30/91/02/246309102.db2.gz QVRFVXFJYFYQOE-UHFFFAOYSA-N 0 3 347.415 2.278 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127371 256211155 /nfs/dbraw/zinc/21/11/55/256211155.db2.gz KTXHEAZEOMNGKN-NHYWBVRUSA-N 0 3 334.376 2.111 20 5 EEBDHN COCCCN(CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276030249 256396594 /nfs/dbraw/zinc/39/65/94/256396594.db2.gz RQALWTKXEWKPLN-UHFFFAOYSA-N 0 3 347.209 2.188 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173598415 152180384 /nfs/dbraw/zinc/18/03/84/152180384.db2.gz RWPJKOAGAFWSDT-UHFFFAOYSA-N 0 3 342.399 2.123 20 5 EEBDHN CCC[C@](C)(N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262696052 152308292 /nfs/dbraw/zinc/30/82/92/152308292.db2.gz DJSYZFWBHHDDCF-KRWDZBQOSA-N 0 3 335.404 2.482 20 5 EEBDHN Cc1nccn1CCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128783382 292347269 /nfs/dbraw/zinc/34/72/69/292347269.db2.gz YIVHEPITTPPJQU-OAHLLOKOSA-N 0 3 344.419 2.461 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593391 159120538 /nfs/dbraw/zinc/12/05/38/159120538.db2.gz MQIPTTSBWRDEBR-GFCCVEGCSA-N 0 3 337.424 2.121 20 5 EEBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083415955 159163652 /nfs/dbraw/zinc/16/36/52/159163652.db2.gz USBYQFUZXDKUNZ-ZDUSSCGKSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000119981564 159384224 /nfs/dbraw/zinc/38/42/24/159384224.db2.gz DJORWKOXYOYAGA-ZIAGYGMSSA-N 0 3 348.403 2.196 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000246874556 160298857 /nfs/dbraw/zinc/29/88/57/160298857.db2.gz USOWQWUIEXIXKT-RDJZCZTQSA-N 0 3 331.416 2.470 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247312729 160319993 /nfs/dbraw/zinc/31/99/93/160319993.db2.gz RFIHDLJXCKNSCB-GOEBONIOSA-N 0 3 346.431 2.340 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000341960276 161027485 /nfs/dbraw/zinc/02/74/85/161027485.db2.gz GTQYLTISYUFPQN-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1c(C(=O)Nc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000343051473 161098446 /nfs/dbraw/zinc/09/84/46/161098446.db2.gz FMFUPQOWCCJWDB-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000343478519 161139950 /nfs/dbraw/zinc/13/99/50/161139950.db2.gz REXWGBFWOZDSMF-UHFFFAOYSA-N 0 3 344.415 2.446 20 5 EEBDHN CN(CC1CCN(c2ccncc2)CC1)c1c([N+](=O)[O-])ncn1C ZINC000346653179 161388939 /nfs/dbraw/zinc/38/89/39/161388939.db2.gz HATOSEIYZWAAEB-UHFFFAOYSA-N 0 3 330.392 2.076 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404097 167035976 /nfs/dbraw/zinc/03/59/76/167035976.db2.gz VZSBFRHVOGKGMX-ZIAGYGMSSA-N 0 3 336.388 2.341 20 5 EEBDHN CN(C)CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122785095 222158227 /nfs/dbraw/zinc/15/82/27/222158227.db2.gz NXICPFTXPRHFLU-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN NC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000238017754 268666760 /nfs/dbraw/zinc/66/67/60/268666760.db2.gz TWDQTFPWFLCRRR-QGZVFWFLSA-N 0 3 325.368 2.222 20 5 EEBDHN C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000269989205 268770320 /nfs/dbraw/zinc/77/03/20/268770320.db2.gz QUBFMJWQGCFWEI-MRVPVSSYSA-N 0 3 345.197 2.429 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1CC(C)(C)O ZINC000275454158 269117271 /nfs/dbraw/zinc/11/72/71/269117271.db2.gz HATJHVKLNTWJQL-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN C[NH+](C)CCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277758389 269179763 /nfs/dbraw/zinc/17/97/63/269179763.db2.gz RBHOZZIKMCEZRO-UHFFFAOYSA-N 0 3 330.344 2.052 20 5 EEBDHN CO[C@](C)([C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961530 274086632 /nfs/dbraw/zinc/08/66/32/274086632.db2.gz ANTOBBRAIBBYKS-KZULUSFZSA-N 0 3 347.415 2.277 20 5 EEBDHN CN1CCN(CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000288620707 275076816 /nfs/dbraw/zinc/07/68/16/275076816.db2.gz XSWOCSBUWIJVJV-UHFFFAOYSA-N 0 3 336.411 2.198 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCCCC2)cc1OC(F)F ZINC000288837817 275087804 /nfs/dbraw/zinc/08/78/04/275087804.db2.gz CFURTCLVQMWKPV-GFCCVEGCSA-N 0 3 345.346 2.455 20 5 EEBDHN COc1ccc(C[C@@H](CO)CNCc2ccccc2[N+](=O)[O-])cc1O ZINC000289525636 275124262 /nfs/dbraw/zinc/12/42/62/275124262.db2.gz VSGSYOXUIIOQHZ-CQSZACIVSA-N 0 3 346.383 2.250 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1OCCc2sccc21 ZINC000292404335 275422652 /nfs/dbraw/zinc/42/26/52/275422652.db2.gz LNRNCFWNMHXEKG-BDJLRTHQSA-N 0 3 349.412 2.110 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCC1 ZINC000069369184 279785920 /nfs/dbraw/zinc/78/59/20/279785920.db2.gz RTJASCYHZCHGOM-HNNXBMFYSA-N 0 3 333.388 2.060 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000173336344 280655533 /nfs/dbraw/zinc/65/55/33/280655533.db2.gz XAKCGKBDEOIATN-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755436 281261960 /nfs/dbraw/zinc/26/19/60/281261960.db2.gz HTQSHTKLVYIMCF-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000171679288 288506622 /nfs/dbraw/zinc/50/66/22/288506622.db2.gz WTTRDTBILFGGCD-CQSZACIVSA-N 0 3 345.403 2.221 20 5 EEBDHN COCCN1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294839395 293558992 /nfs/dbraw/zinc/55/89/92/293558992.db2.gz MGVLMFHVSRWDPO-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276289 293668897 /nfs/dbraw/zinc/66/88/97/293668897.db2.gz AZKPXSRDRNLLBU-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN CS(=O)(=O)c1cccc(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000449167238 315426844 /nfs/dbraw/zinc/42/68/44/315426844.db2.gz ITVWMMSXSBLUGF-UHFFFAOYSA-N 0 3 334.397 2.331 20 5 EEBDHN Cn1cc(C(C)(C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000546001355 318239484 /nfs/dbraw/zinc/23/94/84/318239484.db2.gz TWHKHGHFKSCINE-UHFFFAOYSA-N 0 3 331.376 2.182 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CNCc2ccccc21 ZINC000565772071 319212561 /nfs/dbraw/zinc/21/25/61/319212561.db2.gz CPHPSEXCGWJXAG-INIZCTEOSA-N 0 3 325.368 2.141 20 5 EEBDHN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCCC1 ZINC000566207998 319260208 /nfs/dbraw/zinc/26/02/08/319260208.db2.gz GZQPHLJUPKKKDM-UHFFFAOYSA-N 0 3 332.360 2.288 20 5 EEBDHN Cc1nn(C)cc1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377556 319374881 /nfs/dbraw/zinc/37/48/81/319374881.db2.gz SECZHLIBCWFBNV-NSHDSACASA-N 0 3 331.376 2.316 20 5 EEBDHN C[C@@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095609 319546258 /nfs/dbraw/zinc/54/62/58/319546258.db2.gz FYNHFUQWCBUKTR-OLZOCXBDSA-N 0 3 326.418 2.394 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1CCNC2 ZINC000326010136 465033375 /nfs/dbraw/zinc/03/33/75/465033375.db2.gz LMILIZQHUCJHGX-UHFFFAOYSA-N 0 3 325.368 2.213 20 5 EEBDHN COc1c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591032 465041793 /nfs/dbraw/zinc/04/17/93/465041793.db2.gz BMLBQRIRDATVSB-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000336794084 465046963 /nfs/dbraw/zinc/04/69/63/465046963.db2.gz ZPBFGSFBDPRJFN-JKSUJKDBSA-N 0 3 341.415 2.287 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]([C@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659167 468297425 /nfs/dbraw/zinc/29/74/25/468297425.db2.gz HXMMTHNVCKJAIJ-KDOFPFPSSA-N 0 3 348.399 2.253 20 5 EEBDHN CN1CCN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000047272504 462762307 /nfs/dbraw/zinc/76/23/07/462762307.db2.gz FUQVTYFMAAEMJA-UHFFFAOYSA-N 0 3 341.415 2.349 20 5 EEBDHN Cc1ccc([C@H](C)NCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090182828 462784275 /nfs/dbraw/zinc/78/42/75/462784275.db2.gz MUIVEZFTJGHZOY-LBPRGKRZSA-N 0 3 326.418 2.379 20 5 EEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000090538989 462795894 /nfs/dbraw/zinc/79/58/94/462795894.db2.gz MLGDMIPSDRBQOQ-CQSZACIVSA-N 0 3 332.360 2.303 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1C1CC1 ZINC000157731428 463162999 /nfs/dbraw/zinc/16/29/99/463162999.db2.gz ZUGYKMMTAJZOMB-RYUDHWBXSA-N 0 3 340.383 2.498 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000027118744 463180989 /nfs/dbraw/zinc/18/09/89/463180989.db2.gz BNPWOKOFXHTLBI-CQSZACIVSA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079535733 463226124 /nfs/dbraw/zinc/22/61/24/463226124.db2.gz WRKGSPNWRDCEGC-AWEZNQCLSA-N 0 3 334.420 2.022 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069802591 463327141 /nfs/dbraw/zinc/32/71/41/463327141.db2.gz VIEJPWCUKMRJFT-MRXNPFEDSA-N 0 3 349.431 2.018 20 5 EEBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000083995967 463572013 /nfs/dbraw/zinc/57/20/13/463572013.db2.gz KUTMBEDKWDEUTJ-SNVBAGLBSA-N 0 3 349.840 2.175 20 5 EEBDHN CCN1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268513343 463774564 /nfs/dbraw/zinc/77/45/64/463774564.db2.gz XIXSSWKSSXLGHN-UHFFFAOYSA-N 0 3 329.198 2.284 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553776948 468378973 /nfs/dbraw/zinc/37/89/73/468378973.db2.gz REHQEDDNUJXNDS-WFASDCNBSA-N 0 3 332.404 2.335 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000277113445 463878278 /nfs/dbraw/zinc/87/82/78/463878278.db2.gz QWJQAXFVNBZOJP-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000283466164 463894065 /nfs/dbraw/zinc/89/40/65/463894065.db2.gz LXPXQHTZEYOSPP-ZDUSSCGKSA-N 0 3 335.404 2.455 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178504171 463913110 /nfs/dbraw/zinc/91/31/10/463913110.db2.gz GQZCRIUSPJCOPZ-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178820456 463983361 /nfs/dbraw/zinc/98/33/61/463983361.db2.gz GDIUTKPKBYCCBI-UHFFFAOYSA-N 0 3 343.387 2.334 20 5 EEBDHN CN1CCN(C)[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957844 464015668 /nfs/dbraw/zinc/01/56/68/464015668.db2.gz BBSIMBKZIXSFIV-YOEHRIQHSA-N 0 3 332.448 2.153 20 5 EEBDHN CC1(C)C[C@@H](NCC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279165794 464050885 /nfs/dbraw/zinc/05/08/85/464050885.db2.gz UKBKICGKSBMPFJ-OAHLLOKOSA-N 0 3 347.415 2.189 20 5 EEBDHN CO[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971151 468388080 /nfs/dbraw/zinc/38/80/80/468388080.db2.gz RUIOKFSXEAHGSR-HOTGVXAUSA-N 0 3 334.372 2.413 20 5 EEBDHN O=C1NCCC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590971673 468388126 /nfs/dbraw/zinc/38/81/26/468388126.db2.gz FFZYWCYOFKAMRG-GFCCVEGCSA-N 0 3 329.356 2.471 20 5 EEBDHN CSCC[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237513737 464333729 /nfs/dbraw/zinc/33/37/29/464333729.db2.gz JWBVNUXHDNKGAF-GFCCVEGCSA-N 0 3 331.825 2.287 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265358942 464530365 /nfs/dbraw/zinc/53/03/65/464530365.db2.gz ZFOHGBCLMJKHHP-AWEZNQCLSA-N 0 3 335.404 2.164 20 5 EEBDHN Cc1ccc(CN(CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000181983096 464544910 /nfs/dbraw/zinc/54/49/10/464544910.db2.gz PRPNYEWVHVJJKM-SFHVURJKSA-N 0 3 330.384 2.431 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285533917 464599906 /nfs/dbraw/zinc/59/99/06/464599906.db2.gz LDGTWWZMJLECMZ-ILXRZTDVSA-N 0 3 346.431 2.480 20 5 EEBDHN CCC[C@@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000285672708 464652621 /nfs/dbraw/zinc/65/26/21/464652621.db2.gz UHQMOEAYDSWFPC-QGZVFWFLSA-N 0 3 333.388 2.033 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934587 464739777 /nfs/dbraw/zinc/73/97/77/464739777.db2.gz FQFUPVAQKJTCPF-BBRMVZONSA-N 0 3 344.415 2.348 20 5 EEBDHN C[C@H]1CSCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248989974 464827652 /nfs/dbraw/zinc/82/76/52/464827652.db2.gz GZQZOTBZNWWYSW-TZMCWYRMSA-N 0 3 326.418 2.019 20 5 EEBDHN CC(=O)c1cc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000286606747 464975270 /nfs/dbraw/zinc/97/52/70/464975270.db2.gz XZZXXHAEFYQQFE-UHFFFAOYSA-N 0 3 334.420 2.235 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C(F)F)CC1 ZINC000343550898 465527411 /nfs/dbraw/zinc/52/74/11/465527411.db2.gz LZHLDQKUOWCPQL-GFCCVEGCSA-N 0 3 330.331 2.312 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCN1C ZINC000343572162 465530760 /nfs/dbraw/zinc/53/07/60/465530760.db2.gz VGJGCFHFWXWKRO-BXUZGUMPSA-N 0 3 328.372 2.356 20 5 EEBDHN COC(=O)c1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1C ZINC000348632486 465719489 /nfs/dbraw/zinc/71/94/89/465719489.db2.gz IDUBMZNJVWKSIS-UHFFFAOYSA-N 0 3 331.372 2.394 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000344662365 465761648 /nfs/dbraw/zinc/76/16/48/465761648.db2.gz IRTXOXDDLKZCHF-CYBMUJFWSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000330919147 465861090 /nfs/dbraw/zinc/86/10/90/465861090.db2.gz YCRXKKKRJIVVQG-CMPLNLGQSA-N 0 3 325.796 2.390 20 5 EEBDHN C[NH+](C)[C@@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000362819559 466050836 /nfs/dbraw/zinc/05/08/36/466050836.db2.gz GDQKUNSNSOFEKO-ZDUSSCGKSA-N 0 3 343.343 2.953 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000591530380 468480241 /nfs/dbraw/zinc/48/02/41/468480241.db2.gz PDWRVHGJSADAFE-HNNXBMFYSA-N 0 3 347.415 2.195 20 5 EEBDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836114 466264778 /nfs/dbraw/zinc/26/47/78/466264778.db2.gz BWPRFPPFKBCCBF-XIRDDKMYSA-N 0 3 338.379 2.486 20 5 EEBDHN C[C@H](C(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569494015 468501046 /nfs/dbraw/zinc/50/10/46/468501046.db2.gz FQSZQFMQWPIENK-LBPRGKRZSA-N 0 3 331.376 2.095 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1N(C)C ZINC000347425426 466626731 /nfs/dbraw/zinc/62/67/31/466626731.db2.gz DKUKZYGVMBZDHD-QWHCGFSZSA-N 0 3 333.417 2.020 20 5 EEBDHN CC(C)N1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000322452115 466632785 /nfs/dbraw/zinc/63/27/85/466632785.db2.gz DPWLFMDBPSIZEH-GFCCVEGCSA-N 0 3 341.433 2.141 20 5 EEBDHN COc1cccc(C(=O)NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000423684145 466802176 /nfs/dbraw/zinc/80/21/76/466802176.db2.gz XGEQDLDBRZNKFR-OAHLLOKOSA-N 0 3 341.367 2.220 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424309832 467027883 /nfs/dbraw/zinc/02/78/83/467027883.db2.gz RIIBCLWYJPFINL-GFCCVEGCSA-N 0 3 344.433 2.469 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@H]2Cc3cccc(O)c3C2)c2c(c1)COCO2 ZINC000428566714 467247001 /nfs/dbraw/zinc/24/70/01/467247001.db2.gz POCFRHLOYSGYIE-AWEZNQCLSA-N 0 3 342.351 2.424 20 5 EEBDHN CCN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000413460875 467247232 /nfs/dbraw/zinc/24/72/32/467247232.db2.gz TVPNIPPBUUKIJY-NSHDSACASA-N 0 3 326.784 2.142 20 5 EEBDHN COc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000434426330 467397716 /nfs/dbraw/zinc/39/77/16/467397716.db2.gz VBDZSYPHDZHVSO-CQSZACIVSA-N 0 3 333.388 2.350 20 5 EEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420472310 467419136 /nfs/dbraw/zinc/41/91/36/467419136.db2.gz SIDBJDDGTTYIIQ-GXSJLCMTSA-N 0 3 347.824 2.044 20 5 EEBDHN CC(C)c1nc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449404499 467639400 /nfs/dbraw/zinc/63/94/00/467639400.db2.gz CHCRLHMEQKDAMU-LLVKDONJSA-N 0 3 346.391 2.343 20 5 EEBDHN CC(COC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496649159 467685810 /nfs/dbraw/zinc/68/58/10/467685810.db2.gz JRMLFJDOOUFPDE-IAQYHMDHSA-N 0 3 330.381 2.232 20 5 EEBDHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)N1CCO ZINC000450789468 467908252 /nfs/dbraw/zinc/90/82/52/467908252.db2.gz FYRQEBJADJKSCH-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](C)C1 ZINC000516394204 468026259 /nfs/dbraw/zinc/02/62/59/468026259.db2.gz VRQGLZLSYBLZMV-VXGBXAGGSA-N 0 3 349.387 2.174 20 5 EEBDHN Cc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450731 468057063 /nfs/dbraw/zinc/05/70/63/468057063.db2.gz KVYDIGPNBWOLBQ-LSDHHAIUSA-N 0 3 345.403 2.072 20 5 EEBDHN CC(C)[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487968636 468064036 /nfs/dbraw/zinc/06/40/36/468064036.db2.gz GGKXETGYFKUCDK-OAHLLOKOSA-N 0 3 345.403 2.417 20 5 EEBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691983 468185130 /nfs/dbraw/zinc/18/51/30/468185130.db2.gz LGCGDKABPFZTLD-LSDHHAIUSA-N 0 3 346.383 2.392 20 5 EEBDHN CC(C)CSCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757416 468515385 /nfs/dbraw/zinc/51/53/85/468515385.db2.gz ZUFKJFDGFZLNPU-UHFFFAOYSA-N 0 3 346.474 2.347 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000598342809 468838075 /nfs/dbraw/zinc/83/80/75/468838075.db2.gz NHPQLOPHTZUEEG-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN CNc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560759894 468845068 /nfs/dbraw/zinc/84/50/68/468845068.db2.gz ICSSSTSPLSJDIO-TZMCWYRMSA-N 0 3 332.404 2.335 20 5 EEBDHN CCOc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000595463637 468862386 /nfs/dbraw/zinc/86/23/86/468862386.db2.gz BGOSONPUCRNHNE-GDBMZVCRSA-N 0 3 335.404 2.029 20 5 EEBDHN CN(C(=O)CN1CCC[C@H]1[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996866 468869242 /nfs/dbraw/zinc/86/92/42/468869242.db2.gz IXBBCDAEZQKYHP-PBHICJAKSA-N 0 3 347.415 2.449 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000595535551 468891739 /nfs/dbraw/zinc/89/17/39/468891739.db2.gz HGTSVIUDOCJANC-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000598574510 468919402 /nfs/dbraw/zinc/91/94/02/468919402.db2.gz RGTBQULRNIPKOT-MRXNPFEDSA-N 0 3 330.388 2.075 20 5 EEBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000588315958 469138530 /nfs/dbraw/zinc/13/85/30/469138530.db2.gz LYDHILUODNNIOP-OAHLLOKOSA-N 0 3 330.388 2.162 20 5 EEBDHN Cc1ccncc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120831 469400071 /nfs/dbraw/zinc/40/00/71/469400071.db2.gz YKTXECCJVPZGLO-KBPBESRZSA-N 0 3 331.372 2.389 20 5 EEBDHN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748773 469791180 /nfs/dbraw/zinc/79/11/80/469791180.db2.gz CTXLYROMEAXPPE-CXAGYDPISA-N 0 3 347.415 2.068 20 5 EEBDHN COc1cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])cc1[O-] ZINC000608781843 469877071 /nfs/dbraw/zinc/87/70/71/469877071.db2.gz AZIRIORYDLZAGY-CYBMUJFWSA-N 0 3 344.371 2.055 20 5 EEBDHN CCCN(CCC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726584639 576277791 /nfs/dbraw/zinc/27/77/91/576277791.db2.gz HQGHKNPVJLNGFY-UHFFFAOYSA-N 0 3 334.376 2.443 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581048 577463099 /nfs/dbraw/zinc/46/30/99/577463099.db2.gz CZRPIZMVRCZLLY-RHSMWYFYSA-N 0 3 349.431 2.112 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)CCc2ccccc2)cc1 ZINC000776581303 577463122 /nfs/dbraw/zinc/46/31/22/577463122.db2.gz BVABMXUSGCQUMV-SFHVURJKSA-N 0 3 330.384 2.165 20 5 EEBDHN CC1(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000760898612 577671665 /nfs/dbraw/zinc/67/16/65/577671665.db2.gz JUZQSEYJOUGGLV-UHFFFAOYSA-N 0 3 336.388 2.449 20 5 EEBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247626 578190643 /nfs/dbraw/zinc/19/06/43/578190643.db2.gz GCSRLBLWIFVOSE-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247626 578190644 /nfs/dbraw/zinc/19/06/44/578190644.db2.gz GCSRLBLWIFVOSE-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736350990 578198310 /nfs/dbraw/zinc/19/83/10/578198310.db2.gz PCFFVVPSFPLJLH-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736350990 578198311 /nfs/dbraw/zinc/19/83/11/578198311.db2.gz PCFFVVPSFPLJLH-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN COc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)N(C)C)cc1OC ZINC000891490543 676674382 /nfs/dbraw/zinc/67/43/82/676674382.db2.gz WZDOPBTUIRFYBQ-GFCCVEGCSA-N 0 3 349.391 2.060 20 5 EEBDHN C[C@@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000124133631 685363699 /nfs/dbraw/zinc/36/36/99/685363699.db2.gz PBBOWJIGUIKYLO-SSDOTTSWSA-N 0 3 326.154 2.017 20 5 EEBDHN CCCN1CCC(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119644398 683569108 /nfs/dbraw/zinc/56/91/08/683569108.db2.gz DKBWWYQISTUVSS-UHFFFAOYSA-N 0 3 347.462 2.151 20 5 EEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)N(C)c1ccc(C)cc1 ZINC000871875794 1197947965 /nfs/dbraw/zinc/94/79/65/1197947965.db2.gz OUFBBOMIVZWXKE-MRXNPFEDSA-N 0 3 345.403 2.131 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC000877346608 1199910092 /nfs/dbraw/zinc/91/00/92/1199910092.db2.gz SMSLUSPKNIAZCT-HNNXBMFYSA-N 0 3 325.368 2.348 20 5 EEBDHN Cn1ncc(CCCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000877550834 1199963091 /nfs/dbraw/zinc/96/30/91/1199963091.db2.gz MYPZOCJLJMWXES-UHFFFAOYSA-N 0 3 343.309 2.465 20 5 EEBDHN Cc1ccccc1-n1ccnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109376 1201121707 /nfs/dbraw/zinc/12/17/07/1201121707.db2.gz JMELGARMMMVVFS-GFCCVEGCSA-N 0 3 335.385 2.481 20 5 EEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000866313468 1201490377 /nfs/dbraw/zinc/49/03/77/1201490377.db2.gz BFYOWOMICJDOBH-NSHDSACASA-N 0 3 333.367 2.311 20 5 EEBDHN COC(=O)C1=C(C)O[C@H](CN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000796112276 1215306839 /nfs/dbraw/zinc/30/68/39/1215306839.db2.gz IXWRQQRTXHZVFV-AWEZNQCLSA-N 0 3 334.372 2.305 20 5 EEBDHN Cc1cc(N[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)ccc1[N+](=O)[O-] ZINC001097074144 1243659688 /nfs/dbraw/zinc/65/96/88/1243659688.db2.gz PEXLYKSCNLWYDK-SHTZXODSSA-N 0 3 346.431 2.447 20 5 EEBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000829243742 1314492193 /nfs/dbraw/zinc/49/21/93/1314492193.db2.gz JUNUDGOECJGFLI-ZDUSSCGKSA-N 0 3 346.431 2.408 20 5 EEBDHN COCc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001150635652 1316323772 /nfs/dbraw/zinc/32/37/72/1316323772.db2.gz HARIUOVCOLAUKG-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001152078355 1316629290 /nfs/dbraw/zinc/62/92/90/1316629290.db2.gz PFFLEOQXPFDPHO-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN COc1cc(C)nc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001155826210 1317750828 /nfs/dbraw/zinc/75/08/28/1317750828.db2.gz CQZAVOZNQYBYGO-XJKSGUPXSA-N 0 3 336.392 2.020 20 5 EEBDHN COC(=O)c1ccnc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537410 1318114177 /nfs/dbraw/zinc/11/41/77/1318114177.db2.gz DIELLRSVZKXZGO-LBPRGKRZSA-N 0 3 329.356 2.497 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001254610142 1318143682 /nfs/dbraw/zinc/14/36/82/1318143682.db2.gz IMINULFOWBGNBM-IRXDYDNUSA-N 0 3 340.383 2.395 20 5 EEBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001159596322 1319907462 /nfs/dbraw/zinc/90/74/62/1319907462.db2.gz YPKCNLDGIOXUKO-LBPRGKRZSA-N 0 3 339.355 2.409 20 5 EEBDHN COCC(C)(C)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001163153816 1321052971 /nfs/dbraw/zinc/05/29/71/1321052971.db2.gz OCZRKEBEOUDAKD-UHFFFAOYSA-N 0 3 343.449 2.315 20 5 EEBDHN CN(C)CCN(C)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001163591117 1321164849 /nfs/dbraw/zinc/16/48/49/1321164849.db2.gz PRJYSTVGDZTEQG-UHFFFAOYSA-N 0 3 327.694 2.055 20 5 EEBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC001165090000 1321452365 /nfs/dbraw/zinc/45/23/65/1321452365.db2.gz WXRXRSULMGBFHT-DOTOQJQBSA-N 0 3 339.399 2.404 20 5 EEBDHN CCc1ncoc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001166282915 1321691963 /nfs/dbraw/zinc/69/19/63/1321691963.db2.gz LBIFLNYTTYFPQA-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100542994 1338485439 /nfs/dbraw/zinc/48/54/39/1338485439.db2.gz JNXPSYXQTFWSBO-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CCN(CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091350542 790346851 /nfs/dbraw/zinc/34/68/51/790346851.db2.gz SNXJHNWTKBGJSJ-OTVXOJSOSA-N 0 3 334.420 2.243 20 5 EEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877382 780267714 /nfs/dbraw/zinc/26/77/14/780267714.db2.gz VZDHBLJZGHRMKO-CVEARBPZSA-N 0 3 332.404 2.015 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)N1CCCCC1 ZINC000906349575 783854780 /nfs/dbraw/zinc/85/47/80/783854780.db2.gz BNPPNUTZJRTMRY-UHFFFAOYSA-N 0 3 335.404 2.484 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(N3CCCC3)nc2)c1 ZINC000818947916 785337687 /nfs/dbraw/zinc/33/76/87/785337687.db2.gz UMZSWVDRFUDQAS-KRWDZBQOSA-N 0 3 342.399 2.413 20 5 EEBDHN O=C1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979534 785348465 /nfs/dbraw/zinc/34/84/65/785348465.db2.gz PLLHODGAKZCTKN-YOEHRIQHSA-N 0 3 341.367 2.023 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107391524 787105769 /nfs/dbraw/zinc/10/57/69/787105769.db2.gz JXWJCYUOGKNQOF-HJWRWDBZSA-N 0 3 334.420 2.409 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000923312019 789371664 /nfs/dbraw/zinc/37/16/64/789371664.db2.gz GITVLXPPKKKQOV-LSDHHAIUSA-N 0 3 344.415 2.478 20 5 EEBDHN COc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845874232 789972160 /nfs/dbraw/zinc/97/21/60/789972160.db2.gz GKDJFZLUBIQVEP-YMTOWFKASA-N 0 3 337.307 2.131 20 5 EEBDHN Cc1conc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086527667 803413720 /nfs/dbraw/zinc/41/37/20/803413720.db2.gz BJLQJPVKBYKSED-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN CC(C)(C)OC(=O)N1CCC2(CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013412 803571024 /nfs/dbraw/zinc/57/10/24/803571024.db2.gz UXDRSNVOWFRAEC-UONOGXRCSA-N 0 3 339.436 2.375 20 5 EEBDHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000790080988 808374741 /nfs/dbraw/zinc/37/47/41/808374741.db2.gz UAGXMWYLTQQMPK-UHFFFAOYSA-N 0 3 340.351 2.278 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344412 809916208 /nfs/dbraw/zinc/91/62/08/809916208.db2.gz BUZABINFALJLBQ-UKRRQHHQSA-N 0 3 345.403 2.463 20 5 EEBDHN Cc1nc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001130272568 811387389 /nfs/dbraw/zinc/38/73/89/811387389.db2.gz DIELLVRASABEQO-UHFFFAOYSA-N 0 3 348.428 2.117 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2ncccc2o1 ZINC001131443382 812835448 /nfs/dbraw/zinc/83/54/48/812835448.db2.gz MVDBFFHHRMEPFX-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969259 214039038 /nfs/dbraw/zinc/03/90/38/214039038.db2.gz XIQHQMWPJNZUJV-UHFFFAOYSA-N 0 3 334.420 2.115 20 5 EEBDHN Cn1cc(CN2CCC(C)(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179721902 233370836 /nfs/dbraw/zinc/37/08/36/233370836.db2.gz PYJVQFUGXCPCRQ-UHFFFAOYSA-N 0 3 330.388 2.342 20 5 EEBDHN CCO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451534644 243147940 /nfs/dbraw/zinc/14/79/40/243147940.db2.gz XXMWFHZWSFLWTI-YSVLISHTSA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592685 243170735 /nfs/dbraw/zinc/17/07/35/243170735.db2.gz AFHMDVKOPCNKPG-RDTXWAMCSA-N 0 3 347.415 2.228 20 5 EEBDHN C[C@H](N[C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617349 243178875 /nfs/dbraw/zinc/17/88/75/243178875.db2.gz XPYYBWKTGQQZRH-GOPGUHFVSA-N 0 3 347.415 2.309 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCn1cccn1 ZINC000111280589 220132958 /nfs/dbraw/zinc/13/29/58/220132958.db2.gz WMTQMMRLXWMMPB-UHFFFAOYSA-N 0 3 331.376 2.060 20 5 EEBDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519644 248342125 /nfs/dbraw/zinc/34/21/25/248342125.db2.gz COCJKZXDCSQYFY-SJORKVTESA-N 0 3 330.388 2.298 20 5 EEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188258000 284895982 /nfs/dbraw/zinc/89/59/82/284895982.db2.gz ATLGNGJRBLGRCK-UHFFFAOYSA-N 0 3 341.433 2.091 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN(C4CCOCC4)CC3)ccc2c1 ZINC000267078551 256024734 /nfs/dbraw/zinc/02/47/34/256024734.db2.gz RZNXQVPZXDSEHK-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267364621 256052326 /nfs/dbraw/zinc/05/23/26/256052326.db2.gz WYVVQKVLDOUFHQ-WHWKNOJMSA-N 0 3 335.429 2.162 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157182830 533520237 /nfs/dbraw/zinc/52/02/37/533520237.db2.gz RSGNAHQXVGSABT-ZIAGYGMSSA-N 0 3 333.388 2.160 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475306 142360812 /nfs/dbraw/zinc/36/08/12/142360812.db2.gz LIBTUJKPNXKFIA-MRXNPFEDSA-N 0 3 334.420 2.311 20 5 EEBDHN CCN(CC)CCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000357769559 153335582 /nfs/dbraw/zinc/33/55/82/153335582.db2.gz CJPLBVMFBAAFCE-UHFFFAOYSA-N 0 3 332.198 2.169 20 5 EEBDHN O=C(CCN1CC[C@@H](n2cccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365829681 153661704 /nfs/dbraw/zinc/66/17/04/153661704.db2.gz HNLFXYCLTJEJKO-OAHLLOKOSA-N 0 3 329.360 2.067 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000246174435 160265718 /nfs/dbraw/zinc/26/57/18/160265718.db2.gz BLVCZGCBHZUDFQ-WFASDCNBSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499980 161070041 /nfs/dbraw/zinc/07/00/41/161070041.db2.gz OSHRQNAHIPURON-LRDDRELGSA-N 0 3 342.399 2.148 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCN1C ZINC000343803975 161169691 /nfs/dbraw/zinc/16/96/91/161169691.db2.gz WEHNNHIPRBFLNO-YMTOWFKASA-N 0 3 327.331 2.014 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000345317998 161291230 /nfs/dbraw/zinc/29/12/30/161291230.db2.gz LJSTYAPYKCNZCM-HZMBPMFUSA-N 0 3 344.371 2.061 20 5 EEBDHN CN(C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000345739928 161327795 /nfs/dbraw/zinc/32/77/95/161327795.db2.gz QSPIPESYUMHGNZ-UHFFFAOYSA-N 0 3 328.332 2.107 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352592869 162203231 /nfs/dbraw/zinc/20/32/31/162203231.db2.gz KDQWHGYMFNSOLW-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN CCN1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000352693040 162248876 /nfs/dbraw/zinc/24/88/76/162248876.db2.gz IWTXQBKAYPKLEZ-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccccc1)N(C)C ZINC000356254661 163381584 /nfs/dbraw/zinc/38/15/84/163381584.db2.gz PLKGJZGQRDSJCP-LRDDRELGSA-N 0 3 330.388 2.355 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364091257 165020190 /nfs/dbraw/zinc/02/01/90/165020190.db2.gz RIGIMQHSWUSMTR-KGLIPLIRSA-N 0 3 348.403 2.196 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000124208185 222392260 /nfs/dbraw/zinc/39/22/60/222392260.db2.gz BYWDXGUHCUHTCC-DGCLKSJQSA-N 0 3 342.399 2.360 20 5 EEBDHN Cc1c(NC(=O)CCN(C)CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000271374758 274126199 /nfs/dbraw/zinc/12/61/99/274126199.db2.gz SAGGAIALVDUPCE-UHFFFAOYSA-N 0 3 343.387 2.196 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274740055 274219943 /nfs/dbraw/zinc/21/99/43/274219943.db2.gz VLULSBZFVIQZTO-YGRLFVJLSA-N 0 3 331.376 2.048 20 5 EEBDHN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000275106041 274223780 /nfs/dbraw/zinc/22/37/80/274223780.db2.gz LVTGKUXXXNBYJS-NSHDSACASA-N 0 3 331.294 2.095 20 5 EEBDHN CC[C@H](NC[C@@H](O)CO[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342697 274349198 /nfs/dbraw/zinc/34/91/98/274349198.db2.gz MACRONZMNWLQOA-MAZHCROVSA-N 0 3 326.393 2.048 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029324 274928418 /nfs/dbraw/zinc/92/84/18/274928418.db2.gz LRHYIIUDPATNDE-WBMJQRKESA-N 0 3 338.429 2.387 20 5 EEBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000289728502 275143351 /nfs/dbraw/zinc/14/33/51/275143351.db2.gz XODBPHUFWFYHAW-SNVBAGLBSA-N 0 3 349.840 2.255 20 5 EEBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000289728502 275143352 /nfs/dbraw/zinc/14/33/52/275143352.db2.gz XODBPHUFWFYHAW-SNVBAGLBSA-N 0 3 349.840 2.255 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262708430 278513147 /nfs/dbraw/zinc/51/31/47/278513147.db2.gz CACGHDKVSPBCMD-BDAKNGLRSA-N 0 3 342.193 2.180 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000296564806 294009573 /nfs/dbraw/zinc/00/95/73/294009573.db2.gz CZRULZATLGUZIU-MRXNPFEDSA-N 0 3 334.376 2.163 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000296787486 294067394 /nfs/dbraw/zinc/06/73/94/294067394.db2.gz BJSOCVRGAPQDDE-UHFFFAOYSA-N 0 3 335.408 2.188 20 5 EEBDHN Cn1cncc1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297745185 294329456 /nfs/dbraw/zinc/32/94/56/294329456.db2.gz KQOHKBRNVQVWKT-UHFFFAOYSA-N 0 3 330.388 2.414 20 5 EEBDHN COCCN1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299252744 294697691 /nfs/dbraw/zinc/69/76/91/294697691.db2.gz PPTIPJTVNQTWLN-UHFFFAOYSA-N 0 3 347.371 2.182 20 5 EEBDHN COc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331049178 311811296 /nfs/dbraw/zinc/81/12/96/311811296.db2.gz HHMLOQWYNIIXJV-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN COC(=O)[C@H]1CN(C)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414485339 313033595 /nfs/dbraw/zinc/03/35/95/313033595.db2.gz HXYGEDGFDMQFLE-IDJPSDCMSA-N 0 3 347.415 2.035 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CSC[C@H]1C ZINC000507272161 316376414 /nfs/dbraw/zinc/37/64/14/316376414.db2.gz KEMZERREXPUCKE-NRUUGDAUSA-N 0 3 339.417 2.272 20 5 EEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CNCc2ccccc21 ZINC000574568334 320036750 /nfs/dbraw/zinc/03/67/50/320036750.db2.gz JIMSVRMYZIOLPM-HNNXBMFYSA-N 0 3 340.383 2.010 20 5 EEBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000182319117 323372562 /nfs/dbraw/zinc/37/25/62/323372562.db2.gz QYPUFYFHURDNFF-HOCLYGCPSA-N 0 3 333.388 2.031 20 5 EEBDHN N[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000579581636 323885249 /nfs/dbraw/zinc/88/52/49/323885249.db2.gz OVAFASGYXLMAFG-OAHLLOKOSA-N 0 3 325.368 2.444 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](N3CCOCC3)CC2)cs1 ZINC000579973279 323968764 /nfs/dbraw/zinc/96/87/64/323968764.db2.gz XYZSTFBCJLDWOQ-CQSZACIVSA-N 0 3 325.434 2.343 20 5 EEBDHN CN(CCOc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315800 465028663 /nfs/dbraw/zinc/02/86/63/465028663.db2.gz GLGBPXLOFIHPDJ-OAHLLOKOSA-N 0 3 346.383 2.345 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032836 465058171 /nfs/dbraw/zinc/05/81/71/465058171.db2.gz ZUVRIFKRBFPZEM-CZUORRHYSA-N 0 3 347.415 2.356 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000074763919 462632142 /nfs/dbraw/zinc/63/21/42/462632142.db2.gz NSXKVRSORVLYEJ-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000068134420 463096813 /nfs/dbraw/zinc/09/68/13/463096813.db2.gz XCGAKAPIRAGFFW-HNNXBMFYSA-N 0 3 347.415 2.451 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000157251103 463112578 /nfs/dbraw/zinc/11/25/78/463112578.db2.gz RFIHDLJXCKNSCB-ZBFHGGJFSA-N 0 3 346.431 2.340 20 5 EEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000157380046 463126140 /nfs/dbraw/zinc/12/61/40/463126140.db2.gz NANDMMMAWAIABL-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN Cc1cc(N[C@H](C)CN2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988681 463130092 /nfs/dbraw/zinc/13/00/92/463130092.db2.gz ZGYVUVAURORTSN-CQSZACIVSA-N 0 3 343.431 2.499 20 5 EEBDHN CN(C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000053152577 463136765 /nfs/dbraw/zinc/13/67/65/463136765.db2.gz STVNYHPXNZGTCM-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1cc(NC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083942 463319493 /nfs/dbraw/zinc/31/94/93/463319493.db2.gz DEOCJNBDVFGOFL-GFCCVEGCSA-N 0 3 335.385 2.441 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069803473 463327720 /nfs/dbraw/zinc/32/77/20/463327720.db2.gz UMXOTARKKICIKQ-INIZCTEOSA-N 0 3 349.431 2.018 20 5 EEBDHN CC(=O)NCC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903450 463359507 /nfs/dbraw/zinc/35/95/07/463359507.db2.gz OGNUCGAHQZYKSA-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000108332686 463598098 /nfs/dbraw/zinc/59/80/98/463598098.db2.gz OCAQXLWQZVZNHD-LBPRGKRZSA-N 0 3 332.404 2.241 20 5 EEBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000177545922 463732937 /nfs/dbraw/zinc/73/29/37/463732937.db2.gz FJRYIZQHONSURT-UHFFFAOYSA-N 0 3 347.213 2.133 20 5 EEBDHN Cc1nc([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268412730 463734732 /nfs/dbraw/zinc/73/47/32/463734732.db2.gz AZYOKPSYTDEMDI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268412730 463734736 /nfs/dbraw/zinc/73/47/36/463734736.db2.gz AZYOKPSYTDEMDI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268412730 463734741 /nfs/dbraw/zinc/73/47/41/463734741.db2.gz AZYOKPSYTDEMDI-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000193924100 463759752 /nfs/dbraw/zinc/75/97/52/463759752.db2.gz FUJDRPOKFUVHAM-GASCZTMLSA-N 0 3 346.431 2.116 20 5 EEBDHN COCCCN1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000171126325 463791518 /nfs/dbraw/zinc/79/15/18/463791518.db2.gz RYLGVHIDQYKEOS-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000283202469 463802463 /nfs/dbraw/zinc/80/24/63/463802463.db2.gz ZMRDZWUBICTNRQ-ZDUSSCGKSA-N 0 3 335.404 2.455 20 5 EEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171455438 463867192 /nfs/dbraw/zinc/86/71/92/463867192.db2.gz JCZYCIIQTNEYMS-GFCCVEGCSA-N 0 3 348.359 2.122 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269352258 463962372 /nfs/dbraw/zinc/96/23/72/463962372.db2.gz GVFFSMMYNMEHEK-NWDGAFQWSA-N 0 3 337.424 2.292 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153700 464045176 /nfs/dbraw/zinc/04/51/76/464045176.db2.gz ASWVAVPVRYFUFU-MFKMUULPSA-N 0 3 341.795 2.327 20 5 EEBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645942 464045939 /nfs/dbraw/zinc/04/59/39/464045939.db2.gz KZNIISJAZHWMSP-NVXWUHKLSA-N 0 3 349.431 2.257 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153697 464046057 /nfs/dbraw/zinc/04/60/57/464046057.db2.gz ASWVAVPVRYFUFU-GXFFZTMASA-N 0 3 341.795 2.327 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N(C)C ZINC000271769939 464378203 /nfs/dbraw/zinc/37/82/03/464378203.db2.gz IKJGLMAFBCAMPX-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000339729986 465473430 /nfs/dbraw/zinc/47/34/30/465473430.db2.gz DCHKTAQJWKNRKP-INIZCTEOSA-N 0 3 335.404 2.228 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189138010 464441635 /nfs/dbraw/zinc/44/16/35/464441635.db2.gz IYYFSSVOSYOLMG-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN Cn1cc(CN[C@H]2C[C@@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351447 464482016 /nfs/dbraw/zinc/48/20/16/464482016.db2.gz KFKXMGYCMANPFN-LSDHHAIUSA-N 0 3 330.388 2.244 20 5 EEBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000294407943 464492295 /nfs/dbraw/zinc/49/22/95/464492295.db2.gz AMEYEAFUDZTUEV-GFCCVEGCSA-N 0 3 333.388 2.157 20 5 EEBDHN CC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181695093 464521663 /nfs/dbraw/zinc/52/16/63/464521663.db2.gz SNGCLXMOECJLJB-CABCVRRESA-N 0 3 341.433 2.060 20 5 EEBDHN COC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225431 464526181 /nfs/dbraw/zinc/52/61/81/464526181.db2.gz SVHAMYOINBTEFD-WFASDCNBSA-N 0 3 333.388 2.220 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000281632195 464527730 /nfs/dbraw/zinc/52/77/30/464527730.db2.gz QOYRHWWWBXKUFS-HUUCEWRRSA-N 0 3 349.431 2.471 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190047498 464590999 /nfs/dbraw/zinc/59/09/99/464590999.db2.gz FAXMJFOJDNLEIS-LRDDRELGSA-N 0 3 330.388 2.198 20 5 EEBDHN COc1cc(C(=O)N(C)CCN2CCCCC2)cc([N+](=O)[O-])c1C ZINC000593884200 468419870 /nfs/dbraw/zinc/41/98/70/468419870.db2.gz UYMNQMSNPBSESS-UHFFFAOYSA-N 0 3 335.404 2.470 20 5 EEBDHN COc1cccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248861439 464812378 /nfs/dbraw/zinc/81/23/78/464812378.db2.gz METACXBSIOXKGM-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CCN(CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000282496764 464840999 /nfs/dbraw/zinc/84/09/99/464840999.db2.gz ROTGMYKZCDZRPJ-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN CCNC(=O)N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022240 465022946 /nfs/dbraw/zinc/02/29/46/465022946.db2.gz PDXZLSYGJIDVGA-XJKSGUPXSA-N 0 3 332.404 2.366 20 5 EEBDHN Cn1nccc1[C@@H]1OCC[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579308 465530537 /nfs/dbraw/zinc/53/05/37/465530537.db2.gz KFZNTNJAJMZVSB-RDTXWAMCSA-N 0 3 342.399 2.464 20 5 EEBDHN O=[N+]([O-])c1cc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000344556501 465674403 /nfs/dbraw/zinc/67/44/03/465674403.db2.gz ZHUUXQHWQJHLAH-KRWDZBQOSA-N 0 3 347.440 2.383 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C)CC1 ZINC000340169239 465839070 /nfs/dbraw/zinc/83/90/70/465839070.db2.gz VNPMBHWIAPHXJN-NSHDSACASA-N 0 3 340.811 2.213 20 5 EEBDHN CCN(CC)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463988 465902706 /nfs/dbraw/zinc/90/27/06/465902706.db2.gz STVAKHJVLNYUTK-INIZCTEOSA-N 0 3 331.420 2.349 20 5 EEBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548747973 468466458 /nfs/dbraw/zinc/46/64/58/468466458.db2.gz YSOBNCFKLMRFGS-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN CN1CCC[C@@H](N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301775620 466028378 /nfs/dbraw/zinc/02/83/78/466028378.db2.gz HHOZKZTYJRCWNE-GFCCVEGCSA-N 0 3 340.374 2.089 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000354007558 466322749 /nfs/dbraw/zinc/32/27/49/466322749.db2.gz QNJOOFWYIYIYMI-CYBMUJFWSA-N 0 3 330.388 2.102 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332019781 466348117 /nfs/dbraw/zinc/34/81/17/466348117.db2.gz FYLMSSCLXVOJCC-YPMHNXCESA-N 0 3 330.388 2.218 20 5 EEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107979 466392580 /nfs/dbraw/zinc/39/25/80/466392580.db2.gz FIOADDGUEPOQMB-HUUCEWRRSA-N 0 3 346.431 2.116 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)Cc1ccccc1 ZINC000350276566 466447237 /nfs/dbraw/zinc/44/72/37/466447237.db2.gz CPFAPGPFFNLKGQ-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363798826 466621784 /nfs/dbraw/zinc/62/17/84/466621784.db2.gz DJORWKOXYOYAGA-KBPBESRZSA-N 0 3 348.403 2.196 20 5 EEBDHN Cn1cc(CN2CC([C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368443148 466636878 /nfs/dbraw/zinc/63/68/78/466636878.db2.gz SCAXWTSDWGBWHJ-AWEZNQCLSA-N 0 3 342.399 2.464 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411726124 466887606 /nfs/dbraw/zinc/88/76/06/466887606.db2.gz XMMWKMCWUUMFOL-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000412098558 467007076 /nfs/dbraw/zinc/00/70/76/467007076.db2.gz XWNIAPDAFVWHNC-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000377954097 467170438 /nfs/dbraw/zinc/17/04/38/467170438.db2.gz NICSZXVPSDCPTL-DOTOQJQBSA-N 0 3 330.388 2.379 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378304618 467257344 /nfs/dbraw/zinc/25/73/44/467257344.db2.gz HOHPANWRPGEEIX-SJORKVTESA-N 0 3 339.395 2.351 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397481 467291006 /nfs/dbraw/zinc/29/10/06/467291006.db2.gz OZFOBBJYVPALAY-KGLIPLIRSA-N 0 3 347.415 2.332 20 5 EEBDHN CN(C)C1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000420624211 467436637 /nfs/dbraw/zinc/43/66/37/467436637.db2.gz JAKQMFYSIMJORC-UHFFFAOYSA-N 0 3 341.433 2.283 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000457095802 467751708 /nfs/dbraw/zinc/75/17/08/467751708.db2.gz QIEUGFLJRZRVSK-LLVKDONJSA-N 0 3 339.367 2.297 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000458592958 467863239 /nfs/dbraw/zinc/86/32/39/467863239.db2.gz UIGOEKOXZBAWCE-MRXNPFEDSA-N 0 3 334.420 2.261 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[N+](=O)[O-] ZINC000493520738 467930514 /nfs/dbraw/zinc/93/05/14/467930514.db2.gz KFUCLXLMJHQDIK-DANTVBBOSA-N 0 3 346.383 2.147 20 5 EEBDHN CN(C)C/C=C/C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000493783229 467982618 /nfs/dbraw/zinc/98/26/18/467982618.db2.gz HHBAKJQYGDOSBS-ONEGZZNKSA-N 0 3 328.166 2.414 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487946758 468061695 /nfs/dbraw/zinc/06/16/95/468061695.db2.gz CDMIETIPZUHHSN-MRXNPFEDSA-N 0 3 334.420 2.114 20 5 EEBDHN Cc1ccccc1OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000551000033 468229560 /nfs/dbraw/zinc/22/95/60/468229560.db2.gz HESQBOVCFBMIAK-MRXNPFEDSA-N 0 3 346.383 2.312 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594235246 468524092 /nfs/dbraw/zinc/52/40/92/468524092.db2.gz UNTPPHXROYKWIV-IRXDYDNUSA-N 0 3 346.431 2.453 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594388937 468569211 /nfs/dbraw/zinc/56/92/11/468569211.db2.gz DAFJPOZNPRGEJF-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1cccc(OCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582720612 468583872 /nfs/dbraw/zinc/58/38/72/468583872.db2.gz ZHFXLWXXERBADA-INIZCTEOSA-N 0 3 346.383 2.312 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597606530 468614315 /nfs/dbraw/zinc/61/43/15/468614315.db2.gz WQRQXGAPAFCBML-CQSZACIVSA-N 0 3 335.404 2.089 20 5 EEBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592435376 468697912 /nfs/dbraw/zinc/69/79/12/468697912.db2.gz VPJKDAOOIAJJAU-MRXNPFEDSA-N 0 3 335.404 2.055 20 5 EEBDHN COc1ccc(CC(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598262495 468810335 /nfs/dbraw/zinc/81/03/35/468810335.db2.gz LKDGRTYSPSDQPV-CQSZACIVSA-N 0 3 349.431 2.383 20 5 EEBDHN CNc1c(C(=O)N[C@@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598265423 468811638 /nfs/dbraw/zinc/81/16/38/468811638.db2.gz SVOZYIZZVPKQJM-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN CC(C)[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182734 468816279 /nfs/dbraw/zinc/81/62/79/468816279.db2.gz JMIPZOCSYLXFLR-NVXWUHKLSA-N 0 3 347.415 2.055 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000595490302 468873948 /nfs/dbraw/zinc/87/39/48/468873948.db2.gz PGTBQVALGKGPGC-CWRNSKLLSA-N 0 3 335.379 2.471 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CCCCC1 ZINC000593111047 468874851 /nfs/dbraw/zinc/87/48/51/468874851.db2.gz BUSKYQHDPHKDKU-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1 ZINC000598571179 468918392 /nfs/dbraw/zinc/91/83/92/468918392.db2.gz BUAHJJPMIGVYAM-HNNXBMFYSA-N 0 3 332.404 2.239 20 5 EEBDHN CCN1C[C@H](CN(C)CCn2ccc([N+](=O)[O-])n2)Oc2ccccc21 ZINC000610484840 468981429 /nfs/dbraw/zinc/98/14/29/468981429.db2.gz OOUMUVMBPGNAKI-AWEZNQCLSA-N 0 3 345.403 2.011 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000602802902 469085830 /nfs/dbraw/zinc/08/58/30/469085830.db2.gz XIAULHGZNCVGIS-QGZVFWFLSA-N 0 3 344.415 2.373 20 5 EEBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000602882621 469140283 /nfs/dbraw/zinc/14/02/83/469140283.db2.gz LPPMZZLUPGVKCR-OAHLLOKOSA-N 0 3 334.376 2.086 20 5 EEBDHN C[C@@H]1CN(CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000589113795 469197108 /nfs/dbraw/zinc/19/71/08/469197108.db2.gz SRBIEHGEDSKSIV-VXGBXAGGSA-N 0 3 342.827 2.366 20 5 EEBDHN CC1(C)C[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655879 469323358 /nfs/dbraw/zinc/32/33/58/469323358.db2.gz ZBGQPWFEUCWXPU-CQSZACIVSA-N 0 3 343.387 2.061 20 5 EEBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CSCCN1 ZINC000603419885 469389076 /nfs/dbraw/zinc/38/90/76/469389076.db2.gz QOGRROYOLLQERK-SECBINFHSA-N 0 3 332.223 2.474 20 5 EEBDHN CN(CCOC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092307 469390888 /nfs/dbraw/zinc/39/08/88/469390888.db2.gz INGOSYBUHGLPLC-ZDUSSCGKSA-N 0 3 326.393 2.081 20 5 EEBDHN COCCN1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444463 469468448 /nfs/dbraw/zinc/46/84/48/469468448.db2.gz YLNGJLDYPQMWJJ-LBPRGKRZSA-N 0 3 331.376 2.061 20 5 EEBDHN CCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000618963778 469482089 /nfs/dbraw/zinc/48/20/89/469482089.db2.gz ZPGWIVKNKSJYJA-UHFFFAOYSA-N 0 3 341.408 2.427 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609396862 469925522 /nfs/dbraw/zinc/92/55/22/469925522.db2.gz KMTNJWLFOCPLDM-LBPRGKRZSA-N 0 3 334.376 2.209 20 5 EEBDHN NC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000159133144 534663053 /nfs/dbraw/zinc/66/30/53/534663053.db2.gz DZMLUMIFPGTIKP-MRXNPFEDSA-N 0 3 335.407 2.008 20 5 EEBDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181931540 527856470 /nfs/dbraw/zinc/85/64/70/527856470.db2.gz QRQTWBDOWBYIEV-XJKSGUPXSA-N 0 3 340.445 2.408 20 5 EEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000181506043 528503915 /nfs/dbraw/zinc/50/39/15/528503915.db2.gz IFHSHLYRTJZNCW-UHFFFAOYSA-N 0 3 343.330 2.410 20 5 EEBDHN CN(C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120308599 535890005 /nfs/dbraw/zinc/89/00/05/535890005.db2.gz AOEOCTHZXIWXRE-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CC(=O)c1ccc(N2CCC(OCCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000732667336 577187509 /nfs/dbraw/zinc/18/75/09/577187509.db2.gz NDVHCFLVMVEKPK-UHFFFAOYSA-N 0 3 335.404 2.344 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733167511 577206241 /nfs/dbraw/zinc/20/62/41/577206241.db2.gz OHBMARAZDUFBMS-MRXNPFEDSA-N 0 3 345.403 2.097 20 5 EEBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736254014 578191090 /nfs/dbraw/zinc/19/10/90/578191090.db2.gz XLDJDXWBRZENPY-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581854 606474678 /nfs/dbraw/zinc/47/46/78/606474678.db2.gz WFHDHMJNLGTKBL-WDEREUQCSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581854 606474680 /nfs/dbraw/zinc/47/46/80/606474680.db2.gz WFHDHMJNLGTKBL-WDEREUQCSA-N 0 3 331.380 2.060 20 5 EEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)N(C)c1ccc(C)cc1 ZINC000871875793 1197947911 /nfs/dbraw/zinc/94/79/11/1197947911.db2.gz OUFBBOMIVZWXKE-INIZCTEOSA-N 0 3 345.403 2.131 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCC(O)CC1 ZINC000872077443 1198041841 /nfs/dbraw/zinc/04/18/41/1198041841.db2.gz IIMBHDPWERQDCX-LBPRGKRZSA-N 0 3 339.461 2.424 20 5 EEBDHN CCc1nc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)no1 ZINC000813107691 1201118010 /nfs/dbraw/zinc/11/80/10/1201118010.db2.gz UJYFFIIDHWGGMP-SNVBAGLBSA-N 0 3 335.316 2.033 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813110345 1201121424 /nfs/dbraw/zinc/12/14/24/1201121424.db2.gz YHBZLDDGELHMOG-GXTWGEPZSA-N 0 3 342.351 2.401 20 5 EEBDHN COC(=O)CC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040785 1201360790 /nfs/dbraw/zinc/36/07/90/1201360790.db2.gz KBXYEJGLMRAMHV-CJNGLKHVSA-N 0 3 336.388 2.293 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000882815531 1201949599 /nfs/dbraw/zinc/94/95/99/1201949599.db2.gz JUJYXNUPPWDJBH-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN Cn1cc(CN[C@@H](CO)CC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883103834 1202013043 /nfs/dbraw/zinc/01/30/43/1202013043.db2.gz HDUBKWPHBUCSOZ-GFCCVEGCSA-N 0 3 340.330 2.101 20 5 EEBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000884825485 1202362911 /nfs/dbraw/zinc/36/29/11/1202362911.db2.gz ZJXPTJTTYISOHV-UHFFFAOYSA-N 0 3 334.351 2.132 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778295887 1208081717 /nfs/dbraw/zinc/08/17/17/1208081717.db2.gz XKHZTXKUJGUGKB-NSHDSACASA-N 0 3 327.331 2.145 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001199847987 1285855962 /nfs/dbraw/zinc/85/59/62/1285855962.db2.gz RMEZXYPYXRDIHQ-VMPITWQZSA-N 0 3 349.435 2.011 20 5 EEBDHN CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218001482 1297545825 /nfs/dbraw/zinc/54/58/25/1297545825.db2.gz WSOJMKSADMVXHB-JOYOIKCWSA-N 0 3 327.312 2.489 20 5 EEBDHN Nc1ccc2n(C(=O)[C@H]3CCNC[C@H]3F)c3ccccc3cc-2c1=O ZINC001219256719 1297965859 /nfs/dbraw/zinc/96/58/59/1297965859.db2.gz XKHDDQROWIGFSC-GXTWGEPZSA-N 0 3 339.370 2.276 20 5 EEBDHN CCN(CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102196700 1300546189 /nfs/dbraw/zinc/54/61/89/1300546189.db2.gz VKGCDHGLOSUIBL-GASCZTMLSA-N 0 3 346.431 2.116 20 5 EEBDHN Cc1[n-]c(=O)cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001228686691 1302380792 /nfs/dbraw/zinc/38/07/92/1302380792.db2.gz QNQKHGUGIVXWTQ-LBPRGKRZSA-N 0 3 337.376 2.026 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC001111811240 1303924921 /nfs/dbraw/zinc/92/49/21/1303924921.db2.gz PBNCIQUSXTVSBM-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN Cc1ccccc1OCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149703790 1316020209 /nfs/dbraw/zinc/02/02/09/1316020209.db2.gz YVOMTFOUIRLTQW-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN Cc1ccncc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156093626 1317873312 /nfs/dbraw/zinc/87/33/12/1317873312.db2.gz CLRBRBAOISCSFL-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN Cc1cnc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254464780 1318079875 /nfs/dbraw/zinc/07/98/75/1318079875.db2.gz KDRQEFYVEWLXQD-UHFFFAOYSA-N 0 3 327.388 2.452 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ncccn2)C1 ZINC001254571652 1318126109 /nfs/dbraw/zinc/12/61/09/1318126109.db2.gz ZWVJKVYFSJCMMA-HIFRSBDPSA-N 0 3 328.372 2.469 20 5 EEBDHN COCCCCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610248 1318143224 /nfs/dbraw/zinc/14/32/24/1318143224.db2.gz IRKRSCOBPHTESK-SFHVURJKSA-N 0 3 333.432 2.106 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160338373 1320138580 /nfs/dbraw/zinc/13/85/80/1320138580.db2.gz ZFRPIKOADOGSQV-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603330568 1350688914 /nfs/dbraw/zinc/68/89/14/1350688914.db2.gz XYCNZRBAWSRQJA-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603330568 1350688915 /nfs/dbraw/zinc/68/89/15/1350688915.db2.gz XYCNZRBAWSRQJA-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN Cc1nn(CN2CCN(C(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC001319097116 1332649014 /nfs/dbraw/zinc/64/90/14/1332649014.db2.gz ZQNRPBZJXHTGTL-UHFFFAOYSA-N 0 3 332.408 2.022 20 5 EEBDHN CN1CCCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001337304890 1336680017 /nfs/dbraw/zinc/68/00/17/1336680017.db2.gz CHJYZYDYCUUMCS-INIZCTEOSA-N 0 3 348.447 2.323 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001100576602 1338522594 /nfs/dbraw/zinc/52/25/94/1338522594.db2.gz KUTYNYXIZVSFPO-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224016 1350665480 /nfs/dbraw/zinc/66/54/80/1350665480.db2.gz RJVSUADLELQGKR-OAHLLOKOSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224016 1350665485 /nfs/dbraw/zinc/66/54/85/1350665485.db2.gz RJVSUADLELQGKR-OAHLLOKOSA-N 0 3 345.407 2.307 20 5 EEBDHN CC1(C)CCC[N@H+](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603777578 1350765862 /nfs/dbraw/zinc/76/58/62/1350765862.db2.gz GZTYMDOHCCACQD-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@@H+](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603777578 1350765865 /nfs/dbraw/zinc/76/58/65/1350765865.db2.gz GZTYMDOHCCACQD-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@H+](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603777578 1350765867 /nfs/dbraw/zinc/76/58/67/1350765867.db2.gz GZTYMDOHCCACQD-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@@H+](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603777578 1350765873 /nfs/dbraw/zinc/76/58/73/1350765873.db2.gz GZTYMDOHCCACQD-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CS[C@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605369656 1351145806 /nfs/dbraw/zinc/14/58/06/1351145806.db2.gz BHUWMJJLAFDPFA-NSHDSACASA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605369656 1351145809 /nfs/dbraw/zinc/14/58/09/1351145809.db2.gz BHUWMJJLAFDPFA-NSHDSACASA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605369656 1351145813 /nfs/dbraw/zinc/14/58/13/1351145813.db2.gz BHUWMJJLAFDPFA-NSHDSACASA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605369656 1351145815 /nfs/dbraw/zinc/14/58/15/1351145815.db2.gz BHUWMJJLAFDPFA-NSHDSACASA-N 0 3 348.432 2.492 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CN(C)C(C)C)c1 ZINC001107233745 786550190 /nfs/dbraw/zinc/55/01/90/786550190.db2.gz RNDUHESQVYOGPT-WAYWQWQTSA-N 0 3 334.420 2.328 20 5 EEBDHN C[C@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000921533145 789069537 /nfs/dbraw/zinc/06/95/37/789069537.db2.gz KVUVMLGWIQADRG-LLVKDONJSA-N 0 3 345.346 2.007 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001148504897 792500472 /nfs/dbraw/zinc/50/04/72/792500472.db2.gz NLHRNZQUOXALIO-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001148536947 792512185 /nfs/dbraw/zinc/51/21/85/792512185.db2.gz SAIZLYKDDCBKAH-UHFFFAOYSA-N 0 3 333.310 2.389 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153655823 796329102 /nfs/dbraw/zinc/32/91/02/796329102.db2.gz ADGGSFLUJUZBLR-MRXNPFEDSA-N 0 3 344.419 2.083 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000917015243 798021437 /nfs/dbraw/zinc/02/14/37/798021437.db2.gz OJXZBNKWCMNANI-CYBMUJFWSA-N 0 3 337.763 2.173 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC(=O)N3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355499 809903077 /nfs/dbraw/zinc/90/30/77/809903077.db2.gz HGKDQGGJVWIOLG-UKRRQHHQSA-N 0 3 347.415 2.231 20 5 EEBDHN COC(=O)[C@@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356142 809903488 /nfs/dbraw/zinc/90/34/88/809903488.db2.gz YNWQHGHFWZQBIC-DOMZBBRYSA-N 0 3 348.399 2.419 20 5 EEBDHN COc1ccc(C[C@H](C)N2CC[C@@H]3[C@H]2CCC(=O)N3C)c([N+](=O)[O-])c1 ZINC001170340146 809914742 /nfs/dbraw/zinc/91/47/42/809914742.db2.gz DWXZOJKEGRPSSX-APHBMKBZSA-N 0 3 347.415 2.230 20 5 EEBDHN Cc1cc(C)nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001130666649 811904091 /nfs/dbraw/zinc/90/40/91/811904091.db2.gz UEDYLZYNSVHAGW-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN C[C@@H](O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870088 234016373 /nfs/dbraw/zinc/01/63/73/234016373.db2.gz WSLSPZKPBDRCIC-TZMCWYRMSA-N 0 3 330.388 2.198 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000448182322 242376395 /nfs/dbraw/zinc/37/63/95/242376395.db2.gz SGWAIGGSBIHXHT-DOMZBBRYSA-N 0 3 341.433 2.089 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797472 243158569 /nfs/dbraw/zinc/15/85/69/243158569.db2.gz ZBCZBYIZQWNGRS-VLXAULBPSA-N 0 3 333.388 2.469 20 5 EEBDHN Nc1nc(NC[C@H]2CCCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000265157789 247257317 /nfs/dbraw/zinc/25/73/17/247257317.db2.gz VDXLHYVHSARLJZ-CYBMUJFWSA-N 0 3 328.376 2.044 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccncc21 ZINC000095392611 218323694 /nfs/dbraw/zinc/32/36/94/218323694.db2.gz JTSOXKWZKAHADI-CHWSQXEVSA-N 0 3 328.372 2.418 20 5 EEBDHN CC1(C)C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000119674676 221373793 /nfs/dbraw/zinc/37/37/93/221373793.db2.gz DVQDDORGBYFJOK-HNNXBMFYSA-N 0 3 347.415 2.420 20 5 EEBDHN CN1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000120046195 292250976 /nfs/dbraw/zinc/25/09/76/292250976.db2.gz LFWNUYYVFIIZPR-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN CCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000096970338 159244895 /nfs/dbraw/zinc/24/48/95/159244895.db2.gz XSHMENSHEIPAEO-UHFFFAOYSA-N 0 3 335.360 2.384 20 5 EEBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000193794215 160186810 /nfs/dbraw/zinc/18/68/10/160186810.db2.gz WDIJYQMIAGJOHG-CQSZACIVSA-N 0 3 329.356 2.440 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000245499747 160239135 /nfs/dbraw/zinc/23/91/35/160239135.db2.gz YTGLNAGPBTZJHD-YPMHNXCESA-N 0 3 334.376 2.304 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000247333446 160320550 /nfs/dbraw/zinc/32/05/50/160320550.db2.gz VMKWKYVBTJSBQX-GJZGRUSLSA-N 0 3 347.415 2.306 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000343058999 161099276 /nfs/dbraw/zinc/09/92/76/161099276.db2.gz VZNUSDFWFGVVLQ-UHFFFAOYSA-N 0 3 344.371 2.111 20 5 EEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN2CCC[C@H]2C1 ZINC000344946635 161258328 /nfs/dbraw/zinc/25/83/28/161258328.db2.gz XGOSWMOEWZLBPM-NEPJUHHUSA-N 0 3 339.417 2.037 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000351955705 162000091 /nfs/dbraw/zinc/00/00/91/162000091.db2.gz KTRJNFVLXLYMGG-ZJUUUORDSA-N 0 3 343.330 2.409 20 5 EEBDHN CSC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000355469991 163201414 /nfs/dbraw/zinc/20/14/14/163201414.db2.gz OKZDPGKZEUKADL-UHFFFAOYSA-N 0 3 341.408 2.291 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCCO[C@@H](C)C1 ZINC000358916329 164014964 /nfs/dbraw/zinc/01/49/64/164014964.db2.gz SKQNIZOIBVFYQQ-LBPRGKRZSA-N 0 3 325.413 2.032 20 5 EEBDHN Cc1c(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000359214005 164085000 /nfs/dbraw/zinc/08/50/00/164085000.db2.gz PEIUBAJWQVOEDP-ABAIWWIYSA-N 0 3 332.404 2.185 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccco2)C1 ZINC000364640114 165217583 /nfs/dbraw/zinc/21/75/83/165217583.db2.gz AYUGQUBWKRITLC-KBPBESRZSA-N 0 3 332.356 2.417 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364801836 165279490 /nfs/dbraw/zinc/27/94/90/165279490.db2.gz PVBUPLYGXGCTBA-HUUCEWRRSA-N 0 3 347.415 2.311 20 5 EEBDHN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1=CCN(C)CC1 ZINC000272652489 269003972 /nfs/dbraw/zinc/00/39/72/269003972.db2.gz FKIRCRRADIYTTJ-CYBMUJFWSA-N 0 3 342.399 2.316 20 5 EEBDHN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272740139 269015180 /nfs/dbraw/zinc/01/51/80/269015180.db2.gz CQBMACXWUMLQLY-CYBMUJFWSA-N 0 3 332.404 2.387 20 5 EEBDHN CCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278494203 269233534 /nfs/dbraw/zinc/23/35/34/269233534.db2.gz ULWRXASVMBWAFC-UHFFFAOYSA-N 0 3 348.325 2.365 20 5 EEBDHN CC(C)CN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639263 273513262 /nfs/dbraw/zinc/51/32/62/273513262.db2.gz QYYHOCYBJRZSAQ-UHFFFAOYSA-N 0 3 332.404 2.258 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000354358291 273814313 /nfs/dbraw/zinc/81/43/13/273814313.db2.gz RFNCHSMNUORGRC-AWEZNQCLSA-N 0 3 342.399 2.080 20 5 EEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271678289 274149944 /nfs/dbraw/zinc/14/99/44/274149944.db2.gz JEVHDUJHBDFSJJ-GFCCVEGCSA-N 0 3 349.412 2.136 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000272092442 274165067 /nfs/dbraw/zinc/16/50/67/274165067.db2.gz YGUWURBDPUCAGD-DZGCQCFKSA-N 0 3 325.434 2.081 20 5 EEBDHN NC(=O)c1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343492 274190120 /nfs/dbraw/zinc/19/01/20/274190120.db2.gz IWJIBZOHDSUMTN-BXUZGUMPSA-N 0 3 344.371 2.183 20 5 EEBDHN COC(=O)CCCCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289676086 275138135 /nfs/dbraw/zinc/13/81/35/275138135.db2.gz DTDOYWCIPXRTAQ-UHFFFAOYSA-N 0 3 340.376 2.435 20 5 EEBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293037581 293108510 /nfs/dbraw/zinc/10/85/10/293108510.db2.gz LTFUMZTZXPEWPK-QGZVFWFLSA-N 0 3 349.431 2.334 20 5 EEBDHN COc1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295103350 293614418 /nfs/dbraw/zinc/61/44/18/293614418.db2.gz KRGQQDWOBWUNCY-OAHLLOKOSA-N 0 3 334.347 2.436 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)cc1OC(F)F ZINC000296048904 293879736 /nfs/dbraw/zinc/87/97/36/293879736.db2.gz QGNHYCFYZJAEGW-UHFFFAOYSA-N 0 3 331.319 2.065 20 5 EEBDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536704 294002252 /nfs/dbraw/zinc/00/22/52/294002252.db2.gz SAWINLYTUKPPDE-MQIPJXDCSA-N 0 3 332.404 2.438 20 5 EEBDHN CC(C)(CCC(=O)NCC1CCN(c2ccncc2)CC1)[N+](=O)[O-] ZINC000297592249 294289915 /nfs/dbraw/zinc/28/99/15/294289915.db2.gz UFTZNWHCVVGFDS-UHFFFAOYSA-N 0 3 334.420 2.250 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488881062 303052504 /nfs/dbraw/zinc/05/25/04/303052504.db2.gz OAHIZLLZSYNVMF-UHFFFAOYSA-N 0 3 349.435 2.199 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1N(C)C ZINC000331669039 311887969 /nfs/dbraw/zinc/88/79/69/311887969.db2.gz YKQOCNGPPMLKAJ-KBPBESRZSA-N 0 3 348.428 2.194 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415768419 313182011 /nfs/dbraw/zinc/18/20/11/313182011.db2.gz VMGYSHIAEAEGRQ-IINYFYTJSA-N 0 3 336.392 2.392 20 5 EEBDHN CS(=O)(=O)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449129620 315420883 /nfs/dbraw/zinc/42/08/83/315420883.db2.gz CYKVRARXGMSGST-UHFFFAOYSA-N 0 3 334.397 2.331 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194376 318206658 /nfs/dbraw/zinc/20/66/58/318206658.db2.gz USEGHKHIGNGBAY-BBRMVZONSA-N 0 3 342.399 2.184 20 5 EEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000563424747 319010347 /nfs/dbraw/zinc/01/03/47/319010347.db2.gz MOZUGCCMGXPLRO-UHFFFAOYSA-N 0 3 338.383 2.077 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000567161621 319353743 /nfs/dbraw/zinc/35/37/43/319353743.db2.gz GGFPZKPSSZMEOO-MWLCHTKSSA-N 0 3 342.808 2.144 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccncc2)C1 ZINC000574355501 320017708 /nfs/dbraw/zinc/01/77/08/320017708.db2.gz WMSYLXAKELGNJG-HZPDHXFCSA-N 0 3 343.383 2.219 20 5 EEBDHN CCCCN(CCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000182155972 323366175 /nfs/dbraw/zinc/36/61/75/323366175.db2.gz UJSTXGCLFNUNTJ-MRXNPFEDSA-N 0 3 335.404 2.185 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000133662276 462956790 /nfs/dbraw/zinc/95/67/90/462956790.db2.gz MMKJYVWHGMMWOS-SKDRFNHKSA-N 0 3 348.359 2.166 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296289189 465145238 /nfs/dbraw/zinc/14/52/38/465145238.db2.gz OZVWWIHENMEEQH-WQVCFCJDSA-N 0 3 333.388 2.245 20 5 EEBDHN CCNc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356384225 465351454 /nfs/dbraw/zinc/35/14/54/465351454.db2.gz DELBFVUAYJBVBC-SWLSCSKDSA-N 0 3 334.420 2.439 20 5 EEBDHN CC[C@H](C)N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590661470 468297691 /nfs/dbraw/zinc/29/76/91/468297691.db2.gz UMVRUCFQYOPKOD-ZDUSSCGKSA-N 0 3 335.404 2.282 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270961 462747910 /nfs/dbraw/zinc/74/79/10/462747910.db2.gz UDWBSBNVZLOMTD-NEPJUHHUSA-N 0 3 344.433 2.467 20 5 EEBDHN COc1cc(C)c([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090539800 462796582 /nfs/dbraw/zinc/79/65/82/462796582.db2.gz JTYNGTBEIAROPL-GFCCVEGCSA-N 0 3 334.376 2.468 20 5 EEBDHN CCc1nn(C)c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091736629 462900877 /nfs/dbraw/zinc/90/08/77/462900877.db2.gz QTFZHQVHGJNJIM-BETUJISGSA-N 0 3 339.440 2.192 20 5 EEBDHN CC[C@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000133203336 462907553 /nfs/dbraw/zinc/90/75/53/462907553.db2.gz KCAHIDCEPDUQQC-INIZCTEOSA-N 0 3 332.360 2.036 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133514465 462940278 /nfs/dbraw/zinc/94/02/78/462940278.db2.gz LHYDLEBOCGWBNR-QWRGUYRKSA-N 0 3 334.376 2.204 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000077965628 463075914 /nfs/dbraw/zinc/07/59/14/463075914.db2.gz QVWZWSKLEDFGEX-LBPRGKRZSA-N 0 3 334.376 2.063 20 5 EEBDHN CSC[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135452290 463158534 /nfs/dbraw/zinc/15/85/34/463158534.db2.gz UNFSNPKCXPHGKZ-KGLIPLIRSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011550 468349377 /nfs/dbraw/zinc/34/93/77/468349377.db2.gz OUBNZTYKKHANGL-CKLFPEKLSA-N 0 3 341.795 2.324 20 5 EEBDHN COCCCN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000150903405 463449327 /nfs/dbraw/zinc/44/93/27/463449327.db2.gz ZQFFJGAICRIEJL-UHFFFAOYSA-N 0 3 349.431 2.145 20 5 EEBDHN C[C@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168443 463488297 /nfs/dbraw/zinc/48/82/97/463488297.db2.gz AJLHQHPZYINYST-BJKJVOPESA-N 0 3 333.388 2.469 20 5 EEBDHN CC(C)c1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269313912 463950004 /nfs/dbraw/zinc/95/00/04/463950004.db2.gz GREYSOQFDIBXBC-SNVBAGLBSA-N 0 3 335.364 2.067 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195317010 464039537 /nfs/dbraw/zinc/03/95/37/464039537.db2.gz GLVVZGMZCFPOIU-GXTWGEPZSA-N 0 3 335.429 2.382 20 5 EEBDHN CCc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000174193959 464374841 /nfs/dbraw/zinc/37/48/41/464374841.db2.gz WVSMKPXEKZQBRN-INIZCTEOSA-N 0 3 349.431 2.340 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264627284 464399614 /nfs/dbraw/zinc/39/96/14/464399614.db2.gz SVDSVBBHRVSAKT-WMLDXEAASA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460852 464620718 /nfs/dbraw/zinc/62/07/18/464620718.db2.gz OMHIDUWOJBJADV-WOSRLPQWSA-N 0 3 332.404 2.391 20 5 EEBDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994058 464767112 /nfs/dbraw/zinc/76/71/12/464767112.db2.gz FYULHEQVNVKPRA-QWRGUYRKSA-N 0 3 335.360 2.430 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192122109 464869223 /nfs/dbraw/zinc/86/92/23/464869223.db2.gz SSZMASQWTHZVLE-UKRRQHHQSA-N 0 3 338.314 2.189 20 5 EEBDHN Cc1c(NC(=O)CCNC2(C(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000177122345 464936893 /nfs/dbraw/zinc/93/68/93/464936893.db2.gz BBZSQBMZNHKLKO-UHFFFAOYSA-N 0 3 348.403 2.010 20 5 EEBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128810 464937397 /nfs/dbraw/zinc/93/73/97/464937397.db2.gz UMRKFYMETWLOFH-KOLCDFICSA-N 0 3 348.359 2.166 20 5 EEBDHN CCOC1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298219847 465335804 /nfs/dbraw/zinc/33/58/04/465335804.db2.gz FVCBHGJDBCZXFR-HNNXBMFYSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC000348211268 465493491 /nfs/dbraw/zinc/49/34/91/465493491.db2.gz RDWPBHZSNBCWDO-AWEZNQCLSA-N 0 3 347.415 2.449 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339765996 465497709 /nfs/dbraw/zinc/49/77/09/465497709.db2.gz ZKPPJVHMYDLGAJ-DLBZAZTESA-N 0 3 336.388 2.013 20 5 EEBDHN Cc1cnccc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579947354 468439286 /nfs/dbraw/zinc/43/92/86/468439286.db2.gz HQMDEGQCUWSYJG-OAHLLOKOSA-N 0 3 327.388 2.422 20 5 EEBDHN CN(C)[C@@]1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCSC1 ZINC000352367523 465520373 /nfs/dbraw/zinc/52/03/73/465520373.db2.gz PMTLRNZFWBEPPX-MRXNPFEDSA-N 0 3 332.429 2.992 20 5 EEBDHN COc1ccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000299106615 465605027 /nfs/dbraw/zinc/60/50/27/465605027.db2.gz WCILHPNGHZGDGN-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCC[C@H](N3CCOCC3)CC2)cs1 ZINC000579973278 468446126 /nfs/dbraw/zinc/44/61/26/468446126.db2.gz XYZSTFBCJLDWOQ-AWEZNQCLSA-N 0 3 325.434 2.343 20 5 EEBDHN Cc1nn(C)c(C(=O)Nc2cc(CN(C)C)ccc2C)c1[N+](=O)[O-] ZINC000361195952 465828530 /nfs/dbraw/zinc/82/85/30/465828530.db2.gz PTAFHLMTYJWTJI-UHFFFAOYSA-N 0 3 331.376 2.259 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000371517242 465852131 /nfs/dbraw/zinc/85/21/31/465852131.db2.gz NMSXETMXBHEUBR-UONOGXRCSA-N 0 3 332.404 2.092 20 5 EEBDHN NC(=O)c1ccc(CN(CCO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000362604657 465875546 /nfs/dbraw/zinc/87/55/46/465875546.db2.gz VWBOAEJGGYVAIB-UHFFFAOYSA-N 0 3 335.404 2.068 20 5 EEBDHN CN(CCC(=O)Nc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338349884 466050233 /nfs/dbraw/zinc/05/02/33/466050233.db2.gz OVYNKEBXQUSKKF-UHFFFAOYSA-N 0 3 328.372 2.493 20 5 EEBDHN C[NH+](C)[C@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000362819558 466050453 /nfs/dbraw/zinc/05/04/53/466050453.db2.gz GDQKUNSNSOFEKO-CYBMUJFWSA-N 0 3 343.343 2.953 20 5 EEBDHN COc1cc(CNC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600207117 468495731 /nfs/dbraw/zinc/49/57/31/468495731.db2.gz IRQOYZMIGKQYAJ-JGZJWPJOSA-N 0 3 346.330 2.108 20 5 EEBDHN CCN1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000354421764 466555484 /nfs/dbraw/zinc/55/54/84/466555484.db2.gz GXYQHUBJRKZAJC-NEPJUHHUSA-N 0 3 345.403 2.416 20 5 EEBDHN C[C@H](NC1(C2CC2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375697019 466864999 /nfs/dbraw/zinc/86/49/99/466864999.db2.gz JUZZGDSLVBISAY-LBPRGKRZSA-N 0 3 333.388 2.471 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375905629 466881328 /nfs/dbraw/zinc/88/13/28/466881328.db2.gz MZKZKAHOFOAPDF-SFHVURJKSA-N 0 3 332.448 2.195 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417714485 466915573 /nfs/dbraw/zinc/91/55/73/466915573.db2.gz HPECYHSVSMNDPO-UONOGXRCSA-N 0 3 334.420 2.309 20 5 EEBDHN COc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377576153 467090003 /nfs/dbraw/zinc/09/00/03/467090003.db2.gz WUNYXLRSDLYPLT-CYBMUJFWSA-N 0 3 333.388 2.350 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000420003118 467284531 /nfs/dbraw/zinc/28/45/31/467284531.db2.gz UPDSJKDSKOATAN-KRWDZBQOSA-N 0 3 337.420 2.151 20 5 EEBDHN CN(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1 ZINC000430105544 467399884 /nfs/dbraw/zinc/39/98/84/467399884.db2.gz UAVHRLCVDHOVKL-UHFFFAOYSA-N 0 3 339.351 2.323 20 5 EEBDHN CS(=O)(=O)c1ccc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000414367408 467406375 /nfs/dbraw/zinc/40/63/75/467406375.db2.gz QMRQXYQRRBCEGX-UHFFFAOYSA-N 0 3 340.426 2.392 20 5 EEBDHN COC(=O)[C@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430195221 467407573 /nfs/dbraw/zinc/40/75/73/467407573.db2.gz NLTQIPNTAZSDMF-CQSZACIVSA-N 0 3 334.372 2.379 20 5 EEBDHN CN1CCNC[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983120 467459967 /nfs/dbraw/zinc/45/99/67/467459967.db2.gz ZXJCIZGTTUWPQK-ZDUSSCGKSA-N 0 3 346.456 2.317 20 5 EEBDHN CN[C@@H](CC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000449245361 467625768 /nfs/dbraw/zinc/62/57/68/467625768.db2.gz AHPPVMJJWGGODC-ZDUSSCGKSA-N 0 3 337.376 2.344 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000449340312 467632212 /nfs/dbraw/zinc/63/22/12/467632212.db2.gz NWJZKDSLJYPGPP-JGGQBBKZSA-N 0 3 340.445 2.471 20 5 EEBDHN C[C@@H]1[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1C ZINC000450573317 467872121 /nfs/dbraw/zinc/87/21/21/467872121.db2.gz WYRKXXGYFHXNHC-VXGBXAGGSA-N 0 3 343.387 2.150 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519549348 468170424 /nfs/dbraw/zinc/17/04/24/468170424.db2.gz KXMYKOUKLZDYDY-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195321 468508783 /nfs/dbraw/zinc/50/87/83/468508783.db2.gz FNZGYIOGDOVTAV-STQMWFEESA-N 0 3 347.371 2.070 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594200394 468510226 /nfs/dbraw/zinc/51/02/26/468510226.db2.gz LSDWZZMCLQUUMR-GJZGRUSLSA-N 0 3 347.415 2.497 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201690 468511308 /nfs/dbraw/zinc/51/13/08/468511308.db2.gz PGPZXFMAUZPWKO-CHWSQXEVSA-N 0 3 347.371 2.070 20 5 EEBDHN COCc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000559282001 468736588 /nfs/dbraw/zinc/73/65/88/468736588.db2.gz DBYZKZLNZGPHTO-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1 ZINC000598574514 468919353 /nfs/dbraw/zinc/91/93/53/468919353.db2.gz RHESLYBUTROFAE-INIZCTEOSA-N 0 3 343.387 2.055 20 5 EEBDHN CCCN1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595806977 469020502 /nfs/dbraw/zinc/02/05/02/469020502.db2.gz NTMILIUDRVLJEG-HNNXBMFYSA-N 0 3 334.420 2.263 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000610719162 469049130 /nfs/dbraw/zinc/04/91/30/469049130.db2.gz DGQKIFBYSUESFV-CQSZACIVSA-N 0 3 349.435 2.180 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)CC(C)(C)O ZINC000602803142 469086383 /nfs/dbraw/zinc/08/63/83/469086383.db2.gz XFJHGQHGRIMKEJ-UHFFFAOYSA-N 0 3 332.404 2.373 20 5 EEBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602818703 469095595 /nfs/dbraw/zinc/09/55/95/469095595.db2.gz NOPVDMRMDVHBSZ-INIZCTEOSA-N 0 3 338.408 2.011 20 5 EEBDHN CCOC(=O)Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596092420 469152385 /nfs/dbraw/zinc/15/23/85/469152385.db2.gz VNTKUSDKBDZJLS-CYBMUJFWSA-N 0 3 333.388 2.349 20 5 EEBDHN CCOCC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573558761 469159851 /nfs/dbraw/zinc/15/98/51/469159851.db2.gz WEUHOXSDNGAUGL-UHFFFAOYSA-N 0 3 344.433 2.021 20 5 EEBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CSCCN1 ZINC000603419887 469389015 /nfs/dbraw/zinc/38/90/15/469389015.db2.gz QOGRROYOLLQERK-VIFPVBQESA-N 0 3 332.223 2.474 20 5 EEBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000609131383 469893437 /nfs/dbraw/zinc/89/34/37/469893437.db2.gz ZSMTXSAXAABSGM-UHFFFAOYSA-N 0 3 344.415 2.446 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451776061 535546523 /nfs/dbraw/zinc/54/65/23/535546523.db2.gz SUHQZAGBALFULF-GLQYFDAESA-N 0 3 349.387 2.243 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000265003745 535693545 /nfs/dbraw/zinc/69/35/45/535693545.db2.gz FICVHYCUIBJQQQ-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425052593 536488216 /nfs/dbraw/zinc/48/82/16/536488216.db2.gz WAWARNOAQKHDER-SUMWQHHRSA-N 0 3 344.415 2.335 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)CCc2ccccc2)cc1 ZINC000758184498 577617862 /nfs/dbraw/zinc/61/78/62/577617862.db2.gz DLSPKWGKSVDQPY-ROUUACIJSA-N 0 3 330.384 2.212 20 5 EEBDHN C[S@](=O)C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159347 577801445 /nfs/dbraw/zinc/80/14/45/577801445.db2.gz MFGGIESSBBRGFM-KCYKTTMJSA-N 0 3 348.424 2.338 20 5 EEBDHN COc1ccc(OCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749663414 577979567 /nfs/dbraw/zinc/97/95/67/577979567.db2.gz FBNDPBJUEKYSCS-QGZVFWFLSA-N 0 3 332.356 2.305 20 5 EEBDHN CC[C@H](C[NH+]1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736350495 578198285 /nfs/dbraw/zinc/19/82/85/578198285.db2.gz OFSJUDQNDRCEHU-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H]1CCCN1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892713266 682827254 /nfs/dbraw/zinc/82/72/54/682827254.db2.gz DLPPABUQXYYSJR-LBPRGKRZSA-N 0 3 330.388 2.343 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc2c1OCC2 ZINC000905616409 1189820472 /nfs/dbraw/zinc/82/04/72/1189820472.db2.gz IIPRXENVCVXDKJ-OAHLLOKOSA-N 0 3 344.367 2.059 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCC(=O)NCc1cccnc1 ZINC000873026409 1198477429 /nfs/dbraw/zinc/47/74/29/1198477429.db2.gz KANUPYMYXIARDD-UHFFFAOYSA-N 0 3 342.399 2.403 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000795077933 1200080962 /nfs/dbraw/zinc/08/09/62/1200080962.db2.gz RJYHZAZFLQYBBR-AWEZNQCLSA-N 0 3 337.424 2.175 20 5 EEBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1F ZINC000813104380 1201097129 /nfs/dbraw/zinc/09/71/29/1201097129.db2.gz ZLPFHFVDNWSSGA-JTQLQIEISA-N 0 3 336.323 2.352 20 5 EEBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000867832228 1201689945 /nfs/dbraw/zinc/68/99/45/1201689945.db2.gz JVTVZPWXRULRHK-CQSZACIVSA-N 0 3 335.379 2.410 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001068510394 1251203794 /nfs/dbraw/zinc/20/37/94/1251203794.db2.gz DUZPVWBGEMZNPW-JOCQHMNTSA-N 0 3 343.387 2.176 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN(C)C(=O)OC)cc1[N+](=O)[O-] ZINC000850548385 1277263782 /nfs/dbraw/zinc/26/37/82/1277263782.db2.gz PVVKVVGOKYPSBJ-LLVKDONJSA-N 0 3 325.365 2.342 20 5 EEBDHN COCCN1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233745152 1304575609 /nfs/dbraw/zinc/57/56/09/1304575609.db2.gz KVDCGCRXHZIWLN-UHFFFAOYSA-N 0 3 349.309 2.498 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC001123358747 1310537417 /nfs/dbraw/zinc/53/74/17/1310537417.db2.gz AXJJYEQYCVALPZ-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001154678767 1317262242 /nfs/dbraw/zinc/26/22/42/1317262242.db2.gz BMEXUZHTIXBCNB-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1cccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001154729229 1317284347 /nfs/dbraw/zinc/28/43/47/1317284347.db2.gz CTVLRKKWZYDQTB-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN CC(C)OCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154842332 1317344321 /nfs/dbraw/zinc/34/43/21/1317344321.db2.gz BSZUMWAJFMKCOF-UHFFFAOYSA-N 0 3 329.422 2.067 20 5 EEBDHN Cc1cccnc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915743 1336447719 /nfs/dbraw/zinc/44/77/19/1336447719.db2.gz BBJABTHOERPGDA-DZGCQCFKSA-N 0 3 331.372 2.389 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC001343251530 1337331316 /nfs/dbraw/zinc/33/13/16/1337331316.db2.gz OGPFFCIZDZPHAV-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603077859 1350634713 /nfs/dbraw/zinc/63/47/13/1350634713.db2.gz LDDYSWOWTDEPSZ-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603077859 1350634717 /nfs/dbraw/zinc/63/47/17/1350634717.db2.gz LDDYSWOWTDEPSZ-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603077859 1350634723 /nfs/dbraw/zinc/63/47/23/1350634723.db2.gz LDDYSWOWTDEPSZ-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603077859 1350634727 /nfs/dbraw/zinc/63/47/27/1350634727.db2.gz LDDYSWOWTDEPSZ-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081195 1351409195 /nfs/dbraw/zinc/40/91/95/1351409195.db2.gz AZMIKTLJOWIHKE-TZMCWYRMSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001607081195 1351409197 /nfs/dbraw/zinc/40/91/97/1351409197.db2.gz AZMIKTLJOWIHKE-TZMCWYRMSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081195 1351409199 /nfs/dbraw/zinc/40/91/99/1351409199.db2.gz AZMIKTLJOWIHKE-TZMCWYRMSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001607081195 1351409201 /nfs/dbraw/zinc/40/92/01/1351409201.db2.gz AZMIKTLJOWIHKE-TZMCWYRMSA-N 0 3 343.391 2.204 20 5 EEBDHN CN(CCNC(=O)C(C)(C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100165850 1410606872 /nfs/dbraw/zinc/60/68/72/1410606872.db2.gz CIGVMWJBRREIOE-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CCNC(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818959385 785344701 /nfs/dbraw/zinc/34/47/01/785344701.db2.gz JCJIUMCDEWTVDO-QGZVFWFLSA-N 0 3 343.383 2.168 20 5 EEBDHN CN(CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-])CC(C)(C)C ZINC001107513711 787471023 /nfs/dbraw/zinc/47/10/23/787471023.db2.gz KKAMJDRRVWQXNH-WAYWQWQTSA-N 0 3 349.435 2.052 20 5 EEBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001147483598 791855571 /nfs/dbraw/zinc/85/55/71/791855571.db2.gz VYSUAVURGYCALK-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN CN(C)c1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001148966046 792830932 /nfs/dbraw/zinc/83/09/32/792830932.db2.gz FLIUBSKJBGKXHJ-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN O=C(OCCN1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915512824 796295262 /nfs/dbraw/zinc/29/52/62/796295262.db2.gz VHQCABGXTBXMHD-UHFFFAOYSA-N 0 3 344.371 2.423 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001129484423 810866267 /nfs/dbraw/zinc/86/62/67/810866267.db2.gz PADWAVPVXLWAJX-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN Cc1cc(C)nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001130666544 811903697 /nfs/dbraw/zinc/90/36/97/811903697.db2.gz QOMMDURAPFIQJS-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN COc1ccc(C)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130981385 812259115 /nfs/dbraw/zinc/25/91/15/812259115.db2.gz HKMXSHZZSLZDOS-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CCc1n[nH]c(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171368723 529466787 /nfs/dbraw/zinc/46/67/87/529466787.db2.gz WINRHWHFNFTDTG-UHFFFAOYSA-N 0 3 345.403 2.132 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H](O)C[C@H]2CO)s1 ZINC000187663363 236271532 /nfs/dbraw/zinc/27/15/32/236271532.db2.gz YPWZCCCTMXKKQK-RYUDHWBXSA-N 0 3 334.397 2.251 20 5 EEBDHN O=C(NC1CC1)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089551 216006098 /nfs/dbraw/zinc/00/60/98/216006098.db2.gz QWWWKHMGRIPHSH-HNNXBMFYSA-N 0 3 344.415 2.162 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424013362 240789602 /nfs/dbraw/zinc/78/96/02/240789602.db2.gz QZMUDPKTCWKPPU-DLBZAZTESA-N 0 3 343.358 2.230 20 5 EEBDHN COCCN(C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447816990 242321699 /nfs/dbraw/zinc/32/16/99/242321699.db2.gz MAFPMHHPOKCIJN-UHFFFAOYSA-N 0 3 345.783 2.025 20 5 EEBDHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543143 243151263 /nfs/dbraw/zinc/15/12/63/243151263.db2.gz AZOYLCBASFWIJC-RHSMWYFYSA-N 0 3 336.388 2.088 20 5 EEBDHN CCOC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713924 245220499 /nfs/dbraw/zinc/22/04/99/245220499.db2.gz OFFRFKCSEZTFBG-HUUCEWRRSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492124260 246312369 /nfs/dbraw/zinc/31/23/69/246312369.db2.gz HUQOWKBBFCWBAO-AWMRPNINSA-N 0 3 333.363 2.346 20 5 EEBDHN COC(=O)[C@@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091985108 218098518 /nfs/dbraw/zinc/09/85/18/218098518.db2.gz FFSVNLIIEYZVHP-LBPRGKRZSA-N 0 3 346.387 2.236 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC(CN2CCOCC2)CC1 ZINC000267238109 256040621 /nfs/dbraw/zinc/04/06/21/256040621.db2.gz RFFRURWTEVDQGW-UHFFFAOYSA-N 0 3 349.431 2.290 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1N(C)C ZINC000270501361 256141739 /nfs/dbraw/zinc/14/17/39/256141739.db2.gz PTYBHDNWQNLNIX-CMPLNLGQSA-N 0 3 329.447 2.082 20 5 EEBDHN COCCN1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270767554 256169322 /nfs/dbraw/zinc/16/93/22/256169322.db2.gz GYXWZNAVFVGYPO-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273597122 256310594 /nfs/dbraw/zinc/31/05/94/256310594.db2.gz IRMHEAXZKJGVQW-AWEZNQCLSA-N 0 3 327.388 2.486 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111050238 142351310 /nfs/dbraw/zinc/35/13/10/142351310.db2.gz VYDACUHAYHJDRJ-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN CN(CCN1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089899030 292213804 /nfs/dbraw/zinc/21/38/04/292213804.db2.gz RITBDGMSZDEJPS-UHFFFAOYSA-N 0 3 340.811 2.214 20 5 EEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312060 154046123 /nfs/dbraw/zinc/04/61/23/154046123.db2.gz QLWAULYKNQNAOV-GOEBONIOSA-N 0 3 348.447 2.066 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000182831764 286625979 /nfs/dbraw/zinc/62/59/79/286625979.db2.gz QJCZRTDVKNLDIJ-HUUCEWRRSA-N 0 3 326.418 2.083 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCC2CCCC2)CC1 ZINC000090552046 159197724 /nfs/dbraw/zinc/19/77/24/159197724.db2.gz CSXPSHRKNWAXTF-UHFFFAOYSA-N 0 3 349.431 2.428 20 5 EEBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CN2CCc3ccccc3C2)cs1 ZINC000238058221 160227972 /nfs/dbraw/zinc/22/79/72/160227972.db2.gz UQDCBUMNBDHDRG-INIZCTEOSA-N 0 3 347.440 2.165 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342241631 161049967 /nfs/dbraw/zinc/04/99/67/161049967.db2.gz GJKYOUZZXAMWHW-UHFFFAOYSA-N 0 3 335.404 2.308 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499983 161070205 /nfs/dbraw/zinc/07/02/05/161070205.db2.gz OSHRQNAHIPURON-WBMJQRKESA-N 0 3 342.399 2.148 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C2CC2)CCO1 ZINC000344797217 161246742 /nfs/dbraw/zinc/24/67/42/161246742.db2.gz WCQFTHOTQCVEIP-GIIHOQTISA-N 0 3 331.416 2.451 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)cc1SC ZINC000346137673 161360594 /nfs/dbraw/zinc/36/05/94/161360594.db2.gz GENIQJZIDLUMNO-SECBINFHSA-N 0 3 327.406 2.005 20 5 EEBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CCN(C)CC1 ZINC000355462490 163199139 /nfs/dbraw/zinc/19/91/39/163199139.db2.gz BBTUQMWSPHJEGX-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccccc1)N(C)C ZINC000356254663 163381831 /nfs/dbraw/zinc/38/18/31/163381831.db2.gz PLKGJZGQRDSJCP-WBMJQRKESA-N 0 3 330.388 2.355 20 5 EEBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000368245559 166075384 /nfs/dbraw/zinc/07/53/84/166075384.db2.gz VDVXPGHYNHOLTA-INIZCTEOSA-N 0 3 343.387 2.375 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364801835 165279213 /nfs/dbraw/zinc/27/92/13/165279213.db2.gz PVBUPLYGXGCTBA-GJZGRUSLSA-N 0 3 347.415 2.311 20 5 EEBDHN C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000370057209 166385370 /nfs/dbraw/zinc/38/53/70/166385370.db2.gz VQUKCJHVYZBPAS-HNNXBMFYSA-N 0 3 343.431 2.425 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000122658011 222132561 /nfs/dbraw/zinc/13/25/61/222132561.db2.gz NEHCPMNZLIBRDL-RKDXNWHRSA-N 0 3 342.193 2.180 20 5 EEBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000249045030 292649207 /nfs/dbraw/zinc/64/92/07/292649207.db2.gz VSUOSCWJSPHDPX-XIRDDKMYSA-N 0 3 347.415 2.198 20 5 EEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274558240 269039233 /nfs/dbraw/zinc/03/92/33/269039233.db2.gz YXOLNTZXOFTOFT-GFCCVEGCSA-N 0 3 336.348 2.106 20 5 EEBDHN Cc1cc(C(=O)NCCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277388710 269152893 /nfs/dbraw/zinc/15/28/93/269152893.db2.gz DDGYALAEUQGQQR-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277635726 269165978 /nfs/dbraw/zinc/16/59/78/269165978.db2.gz BSDVCUNBWIKBCB-NOLJZWGESA-N 0 3 330.388 2.097 20 5 EEBDHN C[C@H]1CCSCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361285 269273987 /nfs/dbraw/zinc/27/39/87/269273987.db2.gz WIQBEDBLVSBFCW-GXTWGEPZSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000280852833 269393913 /nfs/dbraw/zinc/39/39/13/269393913.db2.gz CQVFZEZRMGDORF-YOEHRIQHSA-N 0 3 347.415 2.225 20 5 EEBDHN CCn1cc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000271465820 274133015 /nfs/dbraw/zinc/13/30/15/274133015.db2.gz IDUIROVIADWILM-GFCCVEGCSA-N 0 3 331.376 2.318 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275657105 274258544 /nfs/dbraw/zinc/25/85/44/274258544.db2.gz YDKMLDQMHJTBSB-CYBMUJFWSA-N 0 3 337.420 2.023 20 5 EEBDHN CN(C)C1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278455605 274357646 /nfs/dbraw/zinc/35/76/46/274357646.db2.gz LZEUAHUCZUYRMT-UHFFFAOYSA-N 0 3 340.252 2.394 20 5 EEBDHN Cc1c([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C ZINC000189441104 274665360 /nfs/dbraw/zinc/66/53/60/274665360.db2.gz AELFRLIGZPBWHN-SNVBAGLBSA-N 0 3 349.366 2.455 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285490967 274740823 /nfs/dbraw/zinc/74/08/23/274740823.db2.gz MIKQBDHTADWOMO-MLGOLLRUSA-N 0 3 335.404 2.386 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285755305 274787029 /nfs/dbraw/zinc/78/70/29/274787029.db2.gz ZBFJFIDAYYDZGC-JKIFEVAISA-N 0 3 346.431 2.480 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518512 275066114 /nfs/dbraw/zinc/06/61/14/275066114.db2.gz TVDSSNGQBAMSTJ-RYUDHWBXSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518512 275066115 /nfs/dbraw/zinc/06/61/15/275066115.db2.gz TVDSSNGQBAMSTJ-RYUDHWBXSA-N 0 3 335.408 2.140 20 5 EEBDHN C[C@H]1C[C@H](N2CCOCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966391 275166235 /nfs/dbraw/zinc/16/62/35/275166235.db2.gz ZGXYIIRRDLMVGH-DVJJNNKXSA-N 0 3 331.416 2.403 20 5 EEBDHN CN(C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420588365 276827523 /nfs/dbraw/zinc/82/75/23/276827523.db2.gz PZSOXTFKEKIIKZ-CQSZACIVSA-N 0 3 342.399 2.279 20 5 EEBDHN C[C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000455450645 278271429 /nfs/dbraw/zinc/27/14/29/278271429.db2.gz WXZGXOPTZQKJTP-DZGCQCFKSA-N 0 3 334.420 2.434 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343421553 281013707 /nfs/dbraw/zinc/01/37/07/281013707.db2.gz CVWRWHXPCDYPBN-HOTGVXAUSA-N 0 3 332.448 2.365 20 5 EEBDHN CSc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281185920 292739966 /nfs/dbraw/zinc/73/99/66/292739966.db2.gz BGQLVRDUQQMEOH-FZMZJTMJSA-N 0 3 336.417 2.225 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000283497941 292948903 /nfs/dbraw/zinc/94/89/03/292948903.db2.gz OSDVTMWFDUFHKQ-UHFFFAOYSA-N 0 3 333.388 2.350 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297876998 294363317 /nfs/dbraw/zinc/36/33/17/294363317.db2.gz UTIRWJXAXZZYLY-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190626 311826336 /nfs/dbraw/zinc/82/63/36/311826336.db2.gz PPKYEIFLUDSGKE-NILFDRSVSA-N 0 3 341.433 2.106 20 5 EEBDHN CCN1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413043345 312775777 /nfs/dbraw/zinc/77/57/77/312775777.db2.gz CHDAHRXTUCWBSO-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CC(C)(CCNC/C=C\c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000414518544 313035694 /nfs/dbraw/zinc/03/56/94/313035694.db2.gz VDDANKLQCNWBGO-VURMDHGXSA-N 0 3 326.418 2.411 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](O)[C@H](CO)C3)s2)cc1 ZINC000414551161 313039523 /nfs/dbraw/zinc/03/95/23/313039523.db2.gz BDAJAAMZVUNXOI-BBRMVZONSA-N 0 3 348.424 2.498 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000532953782 317891836 /nfs/dbraw/zinc/89/18/36/317891836.db2.gz GYPSKMQCDQMVJO-AWEZNQCLSA-N 0 3 332.404 2.012 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000539295488 318053428 /nfs/dbraw/zinc/05/34/28/318053428.db2.gz OPYDIZXDXAFJBA-BJJXKVORSA-N 0 3 335.404 2.190 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000542754910 318138515 /nfs/dbraw/zinc/13/85/15/318138515.db2.gz HSWBUAWUDIPVHR-ZDUSSCGKSA-N 0 3 334.420 2.467 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC000567561215 319389925 /nfs/dbraw/zinc/38/99/25/319389925.db2.gz OLDUXDQPDJYTPP-MRXNPFEDSA-N 0 3 332.404 2.411 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000577458625 320255974 /nfs/dbraw/zinc/25/59/74/320255974.db2.gz WUCITXBFCIIACQ-LLVKDONJSA-N 0 3 337.351 2.053 20 5 EEBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000582661201 324498585 /nfs/dbraw/zinc/49/85/85/324498585.db2.gz UBPHCPOEDZEIJQ-MRXNPFEDSA-N 0 3 331.372 2.136 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)c(F)c1 ZINC000339424899 465261407 /nfs/dbraw/zinc/26/14/07/465261407.db2.gz WGXCZPPPZQVQBL-LBPRGKRZSA-N 0 3 344.350 2.467 20 5 EEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060950617 462571613 /nfs/dbraw/zinc/57/16/13/462571613.db2.gz YGSKCTYSLNQXNO-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN COCCC(=O)N1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000127886554 462591761 /nfs/dbraw/zinc/59/17/61/462591761.db2.gz BLGXHISFZFFLGV-ZDUSSCGKSA-N 0 3 335.404 2.273 20 5 EEBDHN CNC(=O)c1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000046054799 462642471 /nfs/dbraw/zinc/64/24/71/462642471.db2.gz XURDVSHJGXCHTH-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCC[C@H]2c2ccco2)c1 ZINC000075750140 462755821 /nfs/dbraw/zinc/75/58/21/462755821.db2.gz VOJUZOJTYPXOHP-GJZGRUSLSA-N 0 3 334.376 2.363 20 5 EEBDHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000047272513 462763189 /nfs/dbraw/zinc/76/31/89/462763189.db2.gz NWHJTDMFTCZIHN-UHFFFAOYSA-N 0 3 341.415 2.349 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000068133132 463096864 /nfs/dbraw/zinc/09/68/64/463096864.db2.gz ANGLADIVWUHWNC-INIZCTEOSA-N 0 3 347.415 2.451 20 5 EEBDHN Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083783 463317797 /nfs/dbraw/zinc/31/77/97/463317797.db2.gz XBHDPGGKXIIDLE-LLVKDONJSA-N 0 3 335.385 2.298 20 5 EEBDHN C[C@@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168379 463487692 /nfs/dbraw/zinc/48/76/92/463487692.db2.gz AJLHQHPZYINYST-RAEVTNRLSA-N 0 3 333.388 2.469 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522203928 468362420 /nfs/dbraw/zinc/36/24/20/468362420.db2.gz KXCPZSLFWFIJQI-LBPRGKRZSA-N 0 3 349.387 2.318 20 5 EEBDHN C[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559062 463616242 /nfs/dbraw/zinc/61/62/42/463616242.db2.gz PXTANXFWUVWGNM-SWLSCSKDSA-N 0 3 332.404 2.439 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)c1ccccc1 ZINC000127179490 463687276 /nfs/dbraw/zinc/68/72/76/463687276.db2.gz ZKCKBMMJJNMNKH-UHFFFAOYSA-N 0 3 345.403 2.085 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286904977 463739337 /nfs/dbraw/zinc/73/93/37/463739337.db2.gz COFRYQOXINUJIL-DOMZBBRYSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177664307 463759647 /nfs/dbraw/zinc/75/96/47/463759647.db2.gz OGFNLXUMNWTRNB-DGCLKSJQSA-N 0 3 348.403 2.028 20 5 EEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000193924129 463759693 /nfs/dbraw/zinc/75/96/93/463759693.db2.gz FUJDRPOKFUVHAM-HUUCEWRRSA-N 0 3 346.431 2.116 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1C ZINC000172591369 464111976 /nfs/dbraw/zinc/11/19/76/464111976.db2.gz LKXWTCACZNUFCC-NSHDSACASA-N 0 3 339.417 2.369 20 5 EEBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179751315 464181420 /nfs/dbraw/zinc/18/14/20/464181420.db2.gz PTRRRMYWIYMVRJ-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCCS(C)(=O)=O ZINC000271074596 464280097 /nfs/dbraw/zinc/28/00/97/464280097.db2.gz GCSMWMWXGMUHOZ-LBPRGKRZSA-N 0 3 346.474 2.490 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000280958333 464280373 /nfs/dbraw/zinc/28/03/73/464280373.db2.gz UOWCXMQAZSTSNH-JTQLQIEISA-N 0 3 347.387 2.436 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC2)CC1 ZINC000281127028 464342124 /nfs/dbraw/zinc/34/21/24/464342124.db2.gz ITFLZLYIZJBBPY-UHFFFAOYSA-N 0 3 333.388 2.350 20 5 EEBDHN CN1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000281267723 464393176 /nfs/dbraw/zinc/39/31/76/464393176.db2.gz VVPNKWVXZWKGQK-UHFFFAOYSA-N 0 3 340.383 2.481 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264625934 464399985 /nfs/dbraw/zinc/39/99/85/464399985.db2.gz SOOXNNBTCNFQPA-AWEZNQCLSA-N 0 3 332.404 2.094 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153536 464498214 /nfs/dbraw/zinc/49/82/14/464498214.db2.gz CZXYXADEQDFLQJ-RISCZKNCSA-N 0 3 341.358 2.485 20 5 EEBDHN CCN1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294553312 464534319 /nfs/dbraw/zinc/53/43/19/464534319.db2.gz VWRXKYBGQKDUGN-UHFFFAOYSA-N 0 3 333.388 2.158 20 5 EEBDHN CN(C)CC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281823456 464598756 /nfs/dbraw/zinc/59/87/56/464598756.db2.gz VYWOJHBWVDTIAR-UHFFFAOYSA-N 0 3 344.371 2.063 20 5 EEBDHN COc1cc(CNC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484934 464627277 /nfs/dbraw/zinc/62/72/77/464627277.db2.gz TYRHGYFXYOBXBI-JTQLQIEISA-N 0 3 346.330 2.373 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272570041 464662210 /nfs/dbraw/zinc/66/22/10/464662210.db2.gz FQXWBRYQDUVPQP-BZNIZROVSA-N 0 3 328.372 2.242 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000176285864 464739493 /nfs/dbraw/zinc/73/94/93/464739493.db2.gz SLKFSJCYMJDSMX-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000298735847 465488268 /nfs/dbraw/zinc/48/82/68/465488268.db2.gz KNCSLKCNHYMJRQ-ZDUSSCGKSA-N 0 3 334.420 2.123 20 5 EEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239301 464988834 /nfs/dbraw/zinc/98/88/34/464988834.db2.gz UNPHWEFNTAXVTL-XPTSAGLGSA-N 0 3 348.359 2.024 20 5 EEBDHN CC1CCC(N2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000342414516 465319041 /nfs/dbraw/zinc/31/90/41/465319041.db2.gz MLAHKQOZIIKOGZ-UHFFFAOYSA-N 0 3 346.431 2.394 20 5 EEBDHN CCN1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000342483235 465324504 /nfs/dbraw/zinc/32/45/04/465324504.db2.gz YTUVEQVEBHFBPC-MNOVXSKESA-N 0 3 331.376 2.163 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000348545742 465673789 /nfs/dbraw/zinc/67/37/89/465673789.db2.gz LGMMYFRZWXHDMQ-CVEARBPZSA-N 0 3 330.388 2.341 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000348545744 465674261 /nfs/dbraw/zinc/67/42/61/465674261.db2.gz LGMMYFRZWXHDMQ-JKSUJKDBSA-N 0 3 330.388 2.341 20 5 EEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469008 465815982 /nfs/dbraw/zinc/81/59/82/465815982.db2.gz CLHBQNGLCBVCMW-DOTOQJQBSA-N 0 3 330.388 2.416 20 5 EEBDHN O=C([C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331370029 466050214 /nfs/dbraw/zinc/05/02/14/466050214.db2.gz HXVISTCYKMMZAL-OAHLLOKOSA-N 0 3 347.415 2.308 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccccc2n1 ZINC000338362060 466061093 /nfs/dbraw/zinc/06/10/93/466061093.db2.gz WSFLAVFTFATUBZ-UHFFFAOYSA-N 0 3 338.367 2.277 20 5 EEBDHN Cc1c[nH+]cn1C1CCN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331998310 466339631 /nfs/dbraw/zinc/33/96/31/466339631.db2.gz ZETGNHAKDZIWHK-UHFFFAOYSA-N 0 3 346.391 2.424 20 5 EEBDHN CN1CCNC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531258 466768417 /nfs/dbraw/zinc/76/84/17/466768417.db2.gz ZSKSFJFXGYBZIW-RTBURBONSA-N 0 3 340.427 2.177 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000423975196 466933898 /nfs/dbraw/zinc/93/38/98/466933898.db2.gz LGXLJBHXMPXISY-INIZCTEOSA-N 0 3 328.372 2.290 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](N)c2ccccc2CC)c1[N+](=O)[O-] ZINC000423975654 466934341 /nfs/dbraw/zinc/93/43/41/466934341.db2.gz LVTLJZGGFIMMMM-CYBMUJFWSA-N 0 3 345.403 2.263 20 5 EEBDHN CCOc1ccc([C@H](C)NCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424309835 467027818 /nfs/dbraw/zinc/02/78/18/467027818.db2.gz RIIBCLWYJPFINL-LBPRGKRZSA-N 0 3 344.433 2.469 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccncc2)C1 ZINC000451008222 467224555 /nfs/dbraw/zinc/22/45/55/467224555.db2.gz WOAYARNCFYAIED-HNNXBMFYSA-N 0 3 328.372 2.031 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])o1 ZINC000428546468 467245447 /nfs/dbraw/zinc/24/54/47/467245447.db2.gz NBASQRPYTQULFA-CYBMUJFWSA-N 0 3 331.328 2.007 20 5 EEBDHN COC[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452034662 467309794 /nfs/dbraw/zinc/30/97/94/467309794.db2.gz FBIDFLDAJOSQFF-CQSZACIVSA-N 0 3 349.387 2.394 20 5 EEBDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318360 467325044 /nfs/dbraw/zinc/32/50/44/467325044.db2.gz NGZXBJBCXCJYJT-DGCLKSJQSA-N 0 3 341.367 2.384 20 5 EEBDHN CNc1nc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454709286 467611149 /nfs/dbraw/zinc/61/11/49/467611149.db2.gz HKXGCERQVZQUBS-NWDGAFQWSA-N 0 3 335.408 2.024 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCN2CCCO)c(Cl)c1 ZINC000449388186 467635758 /nfs/dbraw/zinc/63/57/58/467635758.db2.gz OLMJEGBEKCJEDT-CQSZACIVSA-N 0 3 327.812 2.185 20 5 EEBDHN CO[C@H]1COCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456264 467647819 /nfs/dbraw/zinc/64/78/19/467647819.db2.gz MFWJFMCHFRTNNE-HZMBPMFUSA-N 0 3 346.330 2.337 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458459063 467838615 /nfs/dbraw/zinc/83/86/15/467838615.db2.gz PHIQXBHPCOHWNQ-OAHLLOKOSA-N 0 3 334.420 2.261 20 5 EEBDHN COc1cc(NC[C@H]2CCCN2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450587970 467874850 /nfs/dbraw/zinc/87/48/50/467874850.db2.gz AMWJRLQBXCJSFK-LLVKDONJSA-N 0 3 327.356 2.001 20 5 EEBDHN CC(C)(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000516785443 468047272 /nfs/dbraw/zinc/04/72/72/468047272.db2.gz YGAXOPNKVZHDRF-CYBMUJFWSA-N 0 3 326.418 2.385 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000590456374 468261240 /nfs/dbraw/zinc/26/12/40/468261240.db2.gz ARHIMNAOQVLYJG-KRWDZBQOSA-N 0 3 328.372 2.244 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201693 468511332 /nfs/dbraw/zinc/51/13/32/468511332.db2.gz PGPZXFMAUZPWKO-STQMWFEESA-N 0 3 347.371 2.070 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594217081 468516230 /nfs/dbraw/zinc/51/62/30/468516230.db2.gz OWHSDBYPZWQSHB-IAGOWNOFSA-N 0 3 346.431 2.453 20 5 EEBDHN CNc1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594418833 468579739 /nfs/dbraw/zinc/57/97/39/468579739.db2.gz MFMHRGDZZQDXLU-KBPBESRZSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1C ZINC000597712074 468648314 /nfs/dbraw/zinc/64/83/14/468648314.db2.gz ZPATXAMGAAFYBK-SFHVURJKSA-N 0 3 347.415 2.470 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000595043651 468747594 /nfs/dbraw/zinc/74/75/94/468747594.db2.gz XUXSDHXYUNPGIW-AEGPPILISA-N 0 3 335.404 2.117 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598265961 468811893 /nfs/dbraw/zinc/81/18/93/468811893.db2.gz WTOROEWJVFVGSG-NSHDSACASA-N 0 3 338.383 2.166 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598613137 468933201 /nfs/dbraw/zinc/93/32/01/468933201.db2.gz GECIAFUXSRDABX-GFCCVEGCSA-N 0 3 343.449 2.219 20 5 EEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000610704522 469043916 /nfs/dbraw/zinc/04/39/16/469043916.db2.gz ZYGOFVHUUSBBIF-AWEZNQCLSA-N 0 3 346.387 2.262 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000602829202 469103816 /nfs/dbraw/zinc/10/38/16/469103816.db2.gz RCDXGYHYZBIRLY-AWEZNQCLSA-N 0 3 338.795 2.466 20 5 EEBDHN COCCN(C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596103781 469155683 /nfs/dbraw/zinc/15/56/83/469155683.db2.gz GLRPULQZBLXILU-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN O=[N+]([O-])c1ccc(Cn2cc(CCN3CCCCC3)nn2)c(F)c1 ZINC000603223927 469315075 /nfs/dbraw/zinc/31/50/75/469315075.db2.gz MGUZPBRUQUUOQW-UHFFFAOYSA-N 0 3 333.367 2.402 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619578443 469644282 /nfs/dbraw/zinc/64/42/82/469644282.db2.gz IDECMKQOCOEZMI-NSHDSACASA-N 0 3 331.376 2.027 20 5 EEBDHN COc1ccc(CNCCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000609287697 469912470 /nfs/dbraw/zinc/91/24/70/469912470.db2.gz SKLDFAQTKHFDKJ-UHFFFAOYSA-N 0 3 330.344 2.117 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCn3cncn3)cs2)c1 ZINC000609598518 469946628 /nfs/dbraw/zinc/94/66/28/469946628.db2.gz UDCGTVMQJQAXNM-UHFFFAOYSA-N 0 3 344.400 2.490 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000181143130 534327071 /nfs/dbraw/zinc/32/70/71/534327071.db2.gz CBZXZHDKOGSWTO-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EEBDHN CC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302829 529207880 /nfs/dbraw/zinc/20/78/80/529207880.db2.gz DUDOKAJXLRUGFQ-DZGCQCFKSA-N 0 3 345.403 2.388 20 5 EEBDHN CN(C)CCOC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749320485 577974520 /nfs/dbraw/zinc/97/45/20/577974520.db2.gz URHDSPTWSGNAIW-UHFFFAOYSA-N 0 3 329.347 2.420 20 5 EEBDHN CCN1CCC[C@H]1CNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870421 578125436 /nfs/dbraw/zinc/12/54/36/578125436.db2.gz SXDMDMPRIDKDSH-AWEZNQCLSA-N 0 3 336.461 2.086 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCCC1 ZINC000892479401 680055751 /nfs/dbraw/zinc/05/57/51/680055751.db2.gz AFUVQPCUKJVPRC-UHFFFAOYSA-N 0 3 339.465 2.492 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000894445543 682898159 /nfs/dbraw/zinc/89/81/59/682898159.db2.gz OUKPHWGKWUSXSN-OCCSQVGLSA-N 0 3 335.404 2.368 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1CCCC[C@H]1O)OCCO2 ZINC000897538894 691221364 /nfs/dbraw/zinc/22/13/64/691221364.db2.gz HTNUMLMIDCBQMV-IUODEOHRSA-N 0 3 336.388 2.397 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001105441858 1187158246 /nfs/dbraw/zinc/15/82/46/1187158246.db2.gz NRMMQJRNEGFWIN-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN COc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001134181528 1199373527 /nfs/dbraw/zinc/37/35/27/1199373527.db2.gz WYVIALDKKLHBBH-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN COc1ncc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001170679958 1200774178 /nfs/dbraw/zinc/77/41/78/1200774178.db2.gz NOTZWYMFYNQMCO-JTQLQIEISA-N 0 3 340.343 2.266 20 5 EEBDHN Cc1nn(CN2CC[C@H](N3CC=CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121224405 1201603413 /nfs/dbraw/zinc/60/34/13/1201603413.db2.gz OFXVOCYGWZJXRI-HNNXBMFYSA-N 0 3 327.388 2.157 20 5 EEBDHN O=C(N1CCOCC1)C1(NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000934057465 1207892462 /nfs/dbraw/zinc/89/24/62/1207892462.db2.gz KMQWVNJMYGPJCV-UHFFFAOYSA-N 0 3 347.415 2.246 20 5 EEBDHN CC(C)CCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080071371 1210788951 /nfs/dbraw/zinc/78/89/51/1210788951.db2.gz VOBFCMUWRLWWAE-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN CC(COC(=O)c1nn(C(C)(C)C)cc1Br)[N+](=O)[O-] ZINC000851036710 1277447599 /nfs/dbraw/zinc/44/75/99/1277447599.db2.gz MPSNXSJTBPZYMN-ZETCQYMHSA-N 0 3 334.170 2.223 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001215718492 1296977187 /nfs/dbraw/zinc/97/71/87/1296977187.db2.gz USWHPGDTLXDMDX-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243037 1302170304 /nfs/dbraw/zinc/17/03/04/1302170304.db2.gz SNOUDFZRHQAZIC-LBPRGKRZSA-N 0 3 332.360 2.495 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243037 1302170324 /nfs/dbraw/zinc/17/03/24/1302170324.db2.gz SNOUDFZRHQAZIC-LBPRGKRZSA-N 0 3 332.360 2.495 20 5 EEBDHN CN1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229946627 1302995181 /nfs/dbraw/zinc/99/51/81/1302995181.db2.gz QXZSECLGSKJWJE-SECBINFHSA-N 0 3 348.140 2.282 20 5 EEBDHN CCSCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155081321 1317446715 /nfs/dbraw/zinc/44/67/15/1317446715.db2.gz HPAFVECOUZZBCX-UHFFFAOYSA-N 0 3 325.434 2.334 20 5 EEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000842920903 1315798745 /nfs/dbraw/zinc/79/87/45/1315798745.db2.gz CDBRKCQSQRANIO-UHFFFAOYSA-N 0 3 335.813 2.046 20 5 EEBDHN Cc1nsc(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001152705988 1316710882 /nfs/dbraw/zinc/71/08/82/1316710882.db2.gz DKDBNQYMMQAGOF-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN C[C@@H](N)c1nc2ccccc2n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001155254793 1317523375 /nfs/dbraw/zinc/52/33/75/1317523375.db2.gz OVAFFQTYFWIZEV-MRVPVSSYSA-N 0 3 333.735 2.240 20 5 EEBDHN COC(=O)c1ccnc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537409 1318113955 /nfs/dbraw/zinc/11/39/55/1318113955.db2.gz DIELLRSVZKXZGO-GFCCVEGCSA-N 0 3 329.356 2.497 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001254611322 1318143720 /nfs/dbraw/zinc/14/37/20/1318143720.db2.gz PNRHOCUYABTKQK-IAGOWNOFSA-N 0 3 340.383 2.395 20 5 EEBDHN Cc1nscc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156816932 1318223596 /nfs/dbraw/zinc/22/35/96/1318223596.db2.gz SXTGUGUMHZKWKM-UHFFFAOYSA-N 0 3 340.430 2.331 20 5 EEBDHN COc1cc(N2CCC(n3cnc(CN)c3)CC2)ccc1[N+](=O)[O-] ZINC001256082551 1318641118 /nfs/dbraw/zinc/64/11/18/1318641118.db2.gz HVFZHOCTWWWPFF-UHFFFAOYSA-N 0 3 331.376 2.100 20 5 EEBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165274488 1321489788 /nfs/dbraw/zinc/48/97/88/1321489788.db2.gz BIKHOGDNOCFVHD-NHYWBVRUSA-N 0 3 348.790 2.364 20 5 EEBDHN CC([C@@H](OC(=O)Cn1cc(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC001263518976 1322487189 /nfs/dbraw/zinc/48/71/89/1322487189.db2.gz AEHIGUJPDGLOJR-MGPLVRAMSA-N 0 3 348.334 2.244 20 5 EEBDHN O=C(NCC1CC1)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001307550518 1331540916 /nfs/dbraw/zinc/54/09/16/1331540916.db2.gz QJEFGPJJYWXOSW-MRXNPFEDSA-N 0 3 347.415 2.057 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319253465 1332671482 /nfs/dbraw/zinc/67/14/82/1332671482.db2.gz IGXDEKQNCVLJTF-BDJLRTHQSA-N 0 3 330.388 2.103 20 5 EEBDHN Cc1cccc([C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001333007161 1335946294 /nfs/dbraw/zinc/94/62/94/1335946294.db2.gz WNQDDACWLWQUNP-MRXNPFEDSA-N 0 3 330.388 2.470 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001333710541 1336111840 /nfs/dbraw/zinc/11/18/40/1336111840.db2.gz LKAMSYOOILRWGY-STQMWFEESA-N 0 3 338.408 2.300 20 5 EEBDHN CC(C)(C)[NH2+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584445 1338724648 /nfs/dbraw/zinc/72/46/48/1338724648.db2.gz YITOICZGRLFQSJ-UHFFFAOYSA-N 0 3 331.319 2.071 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861036356 1369485357 /nfs/dbraw/zinc/48/53/57/1369485357.db2.gz LPZGMTDPLIIZJW-BBRMVZONSA-N 0 3 336.388 2.352 20 5 EEBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920444892 770708144 /nfs/dbraw/zinc/70/81/44/770708144.db2.gz BOOMHWJUJGHFLP-SNVBAGLBSA-N 0 3 336.348 2.026 20 5 EEBDHN C[C@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846913796 790749736 /nfs/dbraw/zinc/74/97/36/790749736.db2.gz UTXYMEIUONJZCE-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000818981528 785349906 /nfs/dbraw/zinc/34/99/06/785349906.db2.gz VUXHNQWFELZAMC-OAHLLOKOSA-N 0 3 347.327 2.033 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107205170 786397196 /nfs/dbraw/zinc/39/71/96/786397196.db2.gz WQSWPZKDSFXOQC-AATRIKPKSA-N 0 3 338.383 2.160 20 5 EEBDHN O=C(c1cnco1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996851173 787851122 /nfs/dbraw/zinc/85/11/22/787851122.db2.gz HLXDLZFLHYUFOD-UHFFFAOYSA-N 0 3 336.373 2.039 20 5 EEBDHN CC([C@H](OC(=O)CCc1ncccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845882285 789973843 /nfs/dbraw/zinc/97/38/43/789973843.db2.gz OEKLXECLQTXLFB-BZNIZROVSA-N 0 3 333.319 2.498 20 5 EEBDHN CC(C)(C(=O)NCCCNc1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC001094595583 796459846 /nfs/dbraw/zinc/45/98/46/796459846.db2.gz JBFHQBFABGQKGC-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCOC[C@@H]2F)c1F ZINC001173177360 797277442 /nfs/dbraw/zinc/27/74/42/797277442.db2.gz AZWQQSIRDGJJBL-ZMLRMANQSA-N 0 3 330.331 2.390 20 5 EEBDHN CCOC(=O)c1c(CN)ncn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212275 797314798 /nfs/dbraw/zinc/31/47/98/797314798.db2.gz YUYDPGPZTORQJN-LLVKDONJSA-N 0 3 332.360 2.230 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(C)(=O)=O)cn1 ZINC001173212035 797314893 /nfs/dbraw/zinc/31/48/93/797314893.db2.gz WEOUQGIQDHKTPM-GFCCVEGCSA-N 0 3 349.412 2.114 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001086318024 802732207 /nfs/dbraw/zinc/73/22/07/802732207.db2.gz PFKFIDUMEGEYOT-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN COc1cccc(CN2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036544 803580091 /nfs/dbraw/zinc/58/00/91/803580091.db2.gz GKYYZNHXIMBODB-DLBZAZTESA-N 0 3 333.432 2.258 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC001131350600 812710193 /nfs/dbraw/zinc/71/01/93/812710193.db2.gz CFHBPCGIJVORML-UHFFFAOYSA-N 0 3 346.412 2.060 20 5 EEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150287637 282953665 /nfs/dbraw/zinc/95/36/65/282953665.db2.gz SJXWWQIPYYBRFC-SNVBAGLBSA-N 0 3 335.813 2.044 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171872923 529467328 /nfs/dbraw/zinc/46/73/28/529467328.db2.gz OLPKXJXIRUPMOV-GFCCVEGCSA-N 0 3 345.403 2.131 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814008 234334373 /nfs/dbraw/zinc/33/43/73/234334373.db2.gz CDRGPSYXIOMNAK-HIFRSBDPSA-N 0 3 338.404 2.110 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421713489 240021426 /nfs/dbraw/zinc/02/14/26/240021426.db2.gz STHUUXFCBZIITN-CQSZACIVSA-N 0 3 330.388 2.171 20 5 EEBDHN C[C@@H]1CN(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542804 243151359 /nfs/dbraw/zinc/15/13/59/243151359.db2.gz AFZWQBIWXHZHRK-NVXWUHKLSA-N 0 3 333.432 2.495 20 5 EEBDHN CC(C)[C@@H](CO)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600448 243171505 /nfs/dbraw/zinc/17/15/05/243171505.db2.gz RTFSPUOTAGQHBI-ZBFHGGJFSA-N 0 3 337.420 2.072 20 5 EEBDHN COc1ccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984916 256101957 /nfs/dbraw/zinc/10/19/57/256101957.db2.gz POHSDDQSKRCERY-AAEUAGOBSA-N 0 3 348.403 2.028 20 5 EEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270545639 256146538 /nfs/dbraw/zinc/14/65/38/256146538.db2.gz YPSXDOAWGMATGH-IUIKQTSFSA-N 0 3 331.372 2.081 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067994 256204356 /nfs/dbraw/zinc/20/43/56/256204356.db2.gz DLFZGROERHLTTA-RYUDHWBXSA-N 0 3 342.417 2.079 20 5 EEBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000275864906 256384055 /nfs/dbraw/zinc/38/40/55/256384055.db2.gz JKFYVHXAZXZJFM-UHFFFAOYSA-N 0 3 325.796 2.391 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CNC(=O)N2C)CC1 ZINC000425370737 533383648 /nfs/dbraw/zinc/38/36/48/533383648.db2.gz JVXLHWWDXGWYNR-UVTDQMKNSA-N 0 3 344.415 2.488 20 5 EEBDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559566 292219418 /nfs/dbraw/zinc/21/94/18/292219418.db2.gz FPHGMLAWTUURQA-LSDHHAIUSA-N 0 3 337.420 2.282 20 5 EEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000126304809 292308675 /nfs/dbraw/zinc/30/86/75/292308675.db2.gz ZXXHPXOIEPWWCK-CYBMUJFWSA-N 0 3 337.424 2.021 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920298 161024045 /nfs/dbraw/zinc/02/40/45/161024045.db2.gz JDGSVBZQMSTILH-OLZOCXBDSA-N 0 3 326.418 2.379 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000345017026 161264299 /nfs/dbraw/zinc/26/42/99/161264299.db2.gz RMLTUFFUZLXRCH-KGLIPLIRSA-N 0 3 335.404 2.271 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000352472177 162147084 /nfs/dbraw/zinc/14/70/84/162147084.db2.gz ZDPJXSHLZYHCLA-UHFFFAOYSA-N 0 3 343.449 2.167 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](N2CCCC2)C1 ZINC000368034978 166040188 /nfs/dbraw/zinc/04/01/88/166040188.db2.gz KXDKXNHKAILCLP-CYBMUJFWSA-N 0 3 347.371 2.024 20 5 EEBDHN CN1CCC2(CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000376637592 167366272 /nfs/dbraw/zinc/36/62/72/167366272.db2.gz SGPSWVAGQXNIFS-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000171123050 226901586 /nfs/dbraw/zinc/90/15/86/226901586.db2.gz YTGHCWSCVBQBEH-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000272702722 269011428 /nfs/dbraw/zinc/01/14/28/269011428.db2.gz ZAKMHQMCZLYDGZ-ZBEGNZNMSA-N 0 3 328.372 2.242 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272730328 269013571 /nfs/dbraw/zinc/01/35/71/269013571.db2.gz KPKBTDBEPVNJLO-GFCCVEGCSA-N 0 3 348.403 2.053 20 5 EEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000277643140 269166699 /nfs/dbraw/zinc/16/66/99/269166699.db2.gz YEVPOMOFRPXPDE-ZDUSSCGKSA-N 0 3 343.387 2.218 20 5 EEBDHN CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000342707293 274187385 /nfs/dbraw/zinc/18/73/85/274187385.db2.gz YMOWRJQUNDEOIL-UWVGGRQHSA-N 0 3 339.446 2.081 20 5 EEBDHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000275390709 274245021 /nfs/dbraw/zinc/24/50/21/274245021.db2.gz ARMPKFFYWSXKOK-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275657110 274258627 /nfs/dbraw/zinc/25/86/27/274258627.db2.gz YDKMLDQMHJTBSB-ZDUSSCGKSA-N 0 3 337.420 2.023 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000277393912 274287934 /nfs/dbraw/zinc/28/79/34/274287934.db2.gz ASNHRYFDVGUJII-AWEZNQCLSA-N 0 3 332.404 2.140 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000277933433 274325227 /nfs/dbraw/zinc/32/52/27/274325227.db2.gz KAWCIGWIMLMLEJ-NHYWBVRUSA-N 0 3 345.403 2.302 20 5 EEBDHN COCCCN(C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278460014 274358788 /nfs/dbraw/zinc/35/87/88/274358788.db2.gz SREQUBXSPQDKCK-UHFFFAOYSA-N 0 3 336.314 2.389 20 5 EEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287266729 274949658 /nfs/dbraw/zinc/94/96/58/274949658.db2.gz SENGCRKAKJVJSM-HZMBPMFUSA-N 0 3 336.367 2.015 20 5 EEBDHN Cc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000288231122 275037342 /nfs/dbraw/zinc/03/73/42/275037342.db2.gz FEUJPPFWFPQBOJ-CHWSQXEVSA-N 0 3 332.404 2.184 20 5 EEBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289661417 275136817 /nfs/dbraw/zinc/13/68/17/275136817.db2.gz FKGDRKJNPLJXHZ-CQSZACIVSA-N 0 3 335.404 2.473 20 5 EEBDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290887779 275249420 /nfs/dbraw/zinc/24/94/20/275249420.db2.gz CPRPCAZGGGWELU-LBPRGKRZSA-N 0 3 343.387 2.021 20 5 EEBDHN Cc1cc(NCCCn2cc(CO)nn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000291138654 275274472 /nfs/dbraw/zinc/27/44/72/275274472.db2.gz NPKVFNIDEYDHGT-UHFFFAOYSA-N 0 3 342.359 2.037 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CC[C@@H](CO)O3)o2)c1 ZINC000292734308 275472018 /nfs/dbraw/zinc/47/20/18/275472018.db2.gz QGFVKFSMATWIIM-ZBFHGGJFSA-N 0 3 332.356 2.484 20 5 EEBDHN CN1CCC[C@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000376173243 277074160 /nfs/dbraw/zinc/07/41/60/277074160.db2.gz NLCKVFMBRNTVDY-AWEZNQCLSA-N 0 3 338.839 2.464 20 5 EEBDHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCN1C ZINC000420996634 314019302 /nfs/dbraw/zinc/01/93/02/314019302.db2.gz GAZXQEGCLCTJEP-AWEZNQCLSA-N 0 3 331.376 2.171 20 5 EEBDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025490 314029038 /nfs/dbraw/zinc/02/90/38/314029038.db2.gz QXZLJVCZDCRGRN-OLZOCXBDSA-N 0 3 338.408 2.091 20 5 EEBDHN C[C@@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000425067872 314328299 /nfs/dbraw/zinc/32/82/99/314328299.db2.gz SAGXEFDNZWVXGC-BFQNTYOBSA-N 0 3 335.379 2.390 20 5 EEBDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430195220 314503267 /nfs/dbraw/zinc/50/32/67/314503267.db2.gz NLTQIPNTAZSDMF-AWEZNQCLSA-N 0 3 334.372 2.379 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000440416635 315130465 /nfs/dbraw/zinc/13/04/65/315130465.db2.gz OBZHKPCRXHALIO-GFCCVEGCSA-N 0 3 349.412 2.401 20 5 EEBDHN CO[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598675 316796824 /nfs/dbraw/zinc/79/68/24/316796824.db2.gz RTWKHNWDFZFDNA-CRAIPNDOSA-N 0 3 346.383 2.312 20 5 EEBDHN CCCC[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540171731 318071420 /nfs/dbraw/zinc/07/14/20/318071420.db2.gz XRIUTPSBRCGLLO-ZDUSSCGKSA-N 0 3 343.449 2.432 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1cnn(C)c1 ZINC000545292915 318214514 /nfs/dbraw/zinc/21/45/14/318214514.db2.gz OSDIRWUIJSEFOJ-UHFFFAOYSA-N 0 3 345.403 2.490 20 5 EEBDHN Cc1cc(C)c(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000564861157 319119250 /nfs/dbraw/zinc/11/92/50/319119250.db2.gz YNMPZEOPRPHTQZ-HNNXBMFYSA-N 0 3 331.372 2.136 20 5 EEBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116059 319247196 /nfs/dbraw/zinc/24/71/96/319247196.db2.gz HLHBATUOHUNDAR-GDBMZVCRSA-N 0 3 346.383 2.392 20 5 EEBDHN CC1(C)CCN(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578336621 320308743 /nfs/dbraw/zinc/30/87/43/320308743.db2.gz LCBKRQMITGYETC-UHFFFAOYSA-N 0 3 344.415 2.467 20 5 EEBDHN CSC[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034800 323362712 /nfs/dbraw/zinc/36/27/12/323362712.db2.gz HQTNIOKAUASWRK-OLZOCXBDSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](C)(O)C(F)(F)F ZINC000358362388 465080469 /nfs/dbraw/zinc/08/04/69/465080469.db2.gz CSCDCEBPWMTHMY-NOZJJQNGSA-N 0 3 349.309 2.215 20 5 EEBDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347553602 465090002 /nfs/dbraw/zinc/09/00/02/465090002.db2.gz DESAHUGJFAXUCJ-HOCLYGCPSA-N 0 3 348.403 2.244 20 5 EEBDHN CO[C@@]1(C)C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165387 465101699 /nfs/dbraw/zinc/10/16/99/465101699.db2.gz KSDVQQWQLCYBCJ-QAPCUYQASA-N 0 3 347.415 2.277 20 5 EEBDHN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C12CCCN1CCC2 ZINC000354824495 465174205 /nfs/dbraw/zinc/17/42/05/465174205.db2.gz HJTGTEIJQFVNGZ-UHFFFAOYSA-N 0 3 326.356 2.710 20 5 EEBDHN CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000590690869 468308428 /nfs/dbraw/zinc/30/84/28/468308428.db2.gz IUHSEDLUUUTJDI-LBPRGKRZSA-N 0 3 343.387 2.151 20 5 EEBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000153472487 462654901 /nfs/dbraw/zinc/65/49/01/462654901.db2.gz UVZRFLXXJRVQPT-GFCCVEGCSA-N 0 3 328.372 2.215 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063723094 462666534 /nfs/dbraw/zinc/66/65/34/462666534.db2.gz GNYBLFBGOGFNHO-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089603040 462697835 /nfs/dbraw/zinc/69/78/35/462697835.db2.gz YKYHOOLJQZEUEP-INIZCTEOSA-N 0 3 335.404 2.406 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000115433815 462713397 /nfs/dbraw/zinc/71/33/97/462713397.db2.gz VQWSUKNSOCBIQE-LBPRGKRZSA-N 0 3 330.388 2.490 20 5 EEBDHN CCCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015435 462766694 /nfs/dbraw/zinc/76/66/94/462766694.db2.gz YMJWYGAOGOHKPV-LBPRGKRZSA-N 0 3 329.422 2.041 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000065674437 462817620 /nfs/dbraw/zinc/81/76/20/462817620.db2.gz VTFCIOIFHVQSDD-KGLIPLIRSA-N 0 3 335.404 2.210 20 5 EEBDHN CCCNC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000050995551 463014852 /nfs/dbraw/zinc/01/48/52/463014852.db2.gz MPBYMGSZFGCWIE-CQSZACIVSA-N 0 3 335.404 2.212 20 5 EEBDHN Cc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000024085948 463078369 /nfs/dbraw/zinc/07/83/69/463078369.db2.gz NMXOODDREQWVSV-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN CN(CCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054265547 463222561 /nfs/dbraw/zinc/22/25/61/463222561.db2.gz IDOXPWDWRBBMDF-UHFFFAOYSA-N 0 3 343.383 2.222 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000071886451 463456056 /nfs/dbraw/zinc/45/60/56/463456056.db2.gz RBMXKDQODQZMIW-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN COc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105802256 463466831 /nfs/dbraw/zinc/46/68/31/463466831.db2.gz IOMAXCNAVSVBEB-AWEZNQCLSA-N 0 3 343.387 2.152 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000058256078 463560472 /nfs/dbraw/zinc/56/04/72/463560472.db2.gz FACFYOLSXANICJ-KGLIPLIRSA-N 0 3 335.404 2.210 20 5 EEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380103 463701012 /nfs/dbraw/zinc/70/10/12/463701012.db2.gz QUTFMAJMVYOSRK-BZNIZROVSA-N 0 3 326.393 2.499 20 5 EEBDHN CCc1ccc([C@@H]2CNCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000261611940 463800612 /nfs/dbraw/zinc/80/06/12/463800612.db2.gz CAUJAAZTMSQCET-INIZCTEOSA-N 0 3 329.404 2.000 20 5 EEBDHN Cc1c(NC(=O)CCN2CCC[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590972269 468387564 /nfs/dbraw/zinc/38/75/64/468387564.db2.gz BNNJKHNFIIEIPY-CJNGLKHVSA-N 0 3 333.388 2.343 20 5 EEBDHN CN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000172871642 464156643 /nfs/dbraw/zinc/15/66/43/464156643.db2.gz QEEISKIGVNSYSO-UHFFFAOYSA-N 0 3 327.384 2.386 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270532740 464258963 /nfs/dbraw/zinc/25/89/63/464258963.db2.gz VQANDKJFEVIVOQ-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000281071480 464321414 /nfs/dbraw/zinc/32/14/14/464321414.db2.gz ZXCBGAYYQHEOPM-LBPRGKRZSA-N 0 3 333.388 2.208 20 5 EEBDHN CN(CCCOCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281216118 464375513 /nfs/dbraw/zinc/37/55/13/464375513.db2.gz BCRVLGXBXOZUAC-UHFFFAOYSA-N 0 3 345.399 2.295 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180902893 464417471 /nfs/dbraw/zinc/41/74/71/464417471.db2.gz SKSLYOPCDZRGSN-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186440 464452161 /nfs/dbraw/zinc/45/21/61/464452161.db2.gz PUPHCVRGPZMTID-GXFFZTMASA-N 0 3 333.388 2.267 20 5 EEBDHN CN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294568326 464538750 /nfs/dbraw/zinc/53/87/50/464538750.db2.gz XDYUCFSLRVELPT-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265467880 464570536 /nfs/dbraw/zinc/57/05/36/464570536.db2.gz ZAGWZPKPHVYAOT-LBPRGKRZSA-N 0 3 329.784 2.183 20 5 EEBDHN C[C@@H](O)CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295119104 464712032 /nfs/dbraw/zinc/71/20/32/464712032.db2.gz WNLNCWMFQWKYPB-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](O)CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295119102 464712573 /nfs/dbraw/zinc/71/25/73/464712573.db2.gz WNLNCWMFQWKYPB-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196707 464717383 /nfs/dbraw/zinc/71/73/83/464717383.db2.gz HAMIXZYCQXHEOX-CYBMUJFWSA-N 0 3 341.375 2.065 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000176551059 464797582 /nfs/dbraw/zinc/79/75/82/464797582.db2.gz ZZOAOQZMIRRTLM-KGLIPLIRSA-N 0 3 332.404 2.092 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191940542 464834865 /nfs/dbraw/zinc/83/48/65/464834865.db2.gz LZCVRDOJUYXIJT-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295484829 464854363 /nfs/dbraw/zinc/85/43/63/464854363.db2.gz ZKYSEWUIDBEJQB-LBPRGKRZSA-N 0 3 333.388 2.160 20 5 EEBDHN NC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000358799249 465329492 /nfs/dbraw/zinc/32/94/92/465329492.db2.gz MJEUXRFCVPKBKO-QGZVFWFLSA-N 0 3 343.358 2.361 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000356750509 465519158 /nfs/dbraw/zinc/51/91/58/465519158.db2.gz ZMYHSOVKCIQQIN-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EEBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000344556502 465674150 /nfs/dbraw/zinc/67/41/50/465674150.db2.gz ZHUUXQHWQJHLAH-QGZVFWFLSA-N 0 3 347.440 2.383 20 5 EEBDHN CCN(CC)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463989 465903166 /nfs/dbraw/zinc/90/31/66/465903166.db2.gz STVAKHJVLNYUTK-MRXNPFEDSA-N 0 3 331.420 2.349 20 5 EEBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000353504604 465938914 /nfs/dbraw/zinc/93/89/14/465938914.db2.gz SHQGYPQSRSVWMR-GUYCJALGSA-N 0 3 343.431 2.490 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301325235 465943954 /nfs/dbraw/zinc/94/39/54/465943954.db2.gz AHPOKFWSPWFWTA-NSHDSACASA-N 0 3 331.376 2.022 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712603 465961700 /nfs/dbraw/zinc/96/17/00/465961700.db2.gz BATQWWTZWPZCNH-JLJPHGGASA-N 0 3 338.404 2.374 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229263 466011472 /nfs/dbraw/zinc/01/14/72/466011472.db2.gz SCXKHEZBCWLCFP-ZJUUUORDSA-N 0 3 329.784 2.082 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccco1 ZINC000338348977 466050271 /nfs/dbraw/zinc/05/02/71/466050271.db2.gz MXGPYAWMDUIEAK-MRXNPFEDSA-N 0 3 334.372 2.240 20 5 EEBDHN CCN1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000332346953 466519528 /nfs/dbraw/zinc/51/95/28/466519528.db2.gz YOPRSGCBZZMOHK-BETUJISGSA-N 0 3 335.404 2.376 20 5 EEBDHN CN1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000367815172 466540511 /nfs/dbraw/zinc/54/05/11/466540511.db2.gz PGVLQNJQDHHPFJ-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CN4CCC[C@H]4CO3)ccc2c1 ZINC000325191080 466654489 /nfs/dbraw/zinc/65/44/89/466654489.db2.gz AAZOSVXHIIEIEC-LSDHHAIUSA-N 0 3 328.372 2.418 20 5 EEBDHN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H](N)c1ccccc1 ZINC000423823541 466859356 /nfs/dbraw/zinc/85/93/56/466859356.db2.gz IETUEHCKJKASHV-SJKOYZFVSA-N 0 3 340.383 2.211 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000412176169 467031802 /nfs/dbraw/zinc/03/18/02/467031802.db2.gz PTETZZNUEJOYRF-HQQPKKBNSA-N 0 3 329.400 2.440 20 5 EEBDHN CC(C)(C)CCN1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590258 467430865 /nfs/dbraw/zinc/43/08/65/467430865.db2.gz VZEXHMHFIOPMTF-UHFFFAOYSA-N 0 3 334.420 2.252 20 5 EEBDHN CC(C)(NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431674652 467532536 /nfs/dbraw/zinc/53/25/36/467532536.db2.gz FHKXSUXIOOLLLJ-ZDUSSCGKSA-N 0 3 332.404 2.366 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)cc1OC(F)F ZINC000450595230 467876459 /nfs/dbraw/zinc/87/64/59/467876459.db2.gz LVVYSRSDSKDPMK-GFCCVEGCSA-N 0 3 345.346 2.455 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOC2CCCCC2)c1 ZINC000567677030 468182002 /nfs/dbraw/zinc/18/20/02/468182002.db2.gz BRPSKCRAOQIXNZ-HNNXBMFYSA-N 0 3 338.404 2.273 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594227253 468520396 /nfs/dbraw/zinc/52/03/96/468520396.db2.gz VGFLODBGQNWMBB-JKSUJKDBSA-N 0 3 332.404 2.411 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2COCCN2)c2ccccc2)c1 ZINC000600712312 468629187 /nfs/dbraw/zinc/62/91/87/468629187.db2.gz WUZLXYNZBDOZOW-SJLPKXTDSA-N 0 3 327.384 2.262 20 5 EEBDHN COCCc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000601106837 468743204 /nfs/dbraw/zinc/74/32/04/468743204.db2.gz YFJNGLYTIKOIDU-UHFFFAOYSA-N 0 3 337.401 2.409 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000583853402 468764666 /nfs/dbraw/zinc/76/46/66/468764666.db2.gz NZJCJMXYTXBTDQ-DAXOMENPSA-N 0 3 333.388 2.245 20 5 EEBDHN COC[C@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610615777 469017728 /nfs/dbraw/zinc/01/77/28/469017728.db2.gz UMJQASLZZHXDJR-CYBMUJFWSA-N 0 3 335.360 2.004 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000602802901 469086021 /nfs/dbraw/zinc/08/60/21/469086021.db2.gz XIAULHGZNCVGIS-KRWDZBQOSA-N 0 3 344.415 2.373 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000615034550 469125421 /nfs/dbraw/zinc/12/54/21/469125421.db2.gz HGSWDGWENUWQMO-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOC[C@@H]1C ZINC000610990798 469131976 /nfs/dbraw/zinc/13/19/76/469131976.db2.gz NPWFWJTUXCZZQV-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN O=[N+]([O-])c1cncc(Cl)c1NCC1(N2CCCC2)CCOCC1 ZINC000596114941 469162194 /nfs/dbraw/zinc/16/21/94/469162194.db2.gz OSAAYEVZHYFYKP-UHFFFAOYSA-N 0 3 340.811 2.122 20 5 EEBDHN Cc1cc(NC2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596122283 469165783 /nfs/dbraw/zinc/16/57/83/469165783.db2.gz TVSBRQYARBRDRR-UHFFFAOYSA-N 0 3 340.449 2.319 20 5 EEBDHN CC(C)CC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602432243 469314293 /nfs/dbraw/zinc/31/42/93/469314293.db2.gz XTQXUDIOQBSPTA-AWEZNQCLSA-N 0 3 334.420 2.007 20 5 EEBDHN CCC[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596652064 469322421 /nfs/dbraw/zinc/32/24/21/469322421.db2.gz FSFJWWVYKMIVMF-CQSZACIVSA-N 0 3 331.376 2.180 20 5 EEBDHN Cc1nn(C)cc1[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551684 469358504 /nfs/dbraw/zinc/35/85/04/469358504.db2.gz PMAKRAZWLOPTDE-LBPRGKRZSA-N 0 3 344.419 2.351 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H](CO)Cc1ccccc1)OCCO2 ZINC000614100585 469853679 /nfs/dbraw/zinc/85/36/79/469853679.db2.gz LDWYKFHWKDOYLQ-OAHLLOKOSA-N 0 3 344.367 2.059 20 5 EEBDHN CCNc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000411004483 528430921 /nfs/dbraw/zinc/43/09/21/528430921.db2.gz WGSFQDSAPFQSMW-UHFFFAOYSA-N 0 3 346.391 2.037 20 5 EEBDHN Cc1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733157820 577205487 /nfs/dbraw/zinc/20/54/87/577205487.db2.gz GCXXAGPYDZMDMX-HNNXBMFYSA-N 0 3 347.415 2.276 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COC2(CCOCC2)O1 ZINC000777309027 577476406 /nfs/dbraw/zinc/47/64/06/577476406.db2.gz IULJZQMPJNTUTH-DZGCQCFKSA-N 0 3 336.388 2.476 20 5 EEBDHN Cc1nn(CN(C)CCCn2ccnc2)c2ccc([N+](=O)[O-])cc12 ZINC000767760507 577544330 /nfs/dbraw/zinc/54/43/30/577544330.db2.gz YOIYOJJMYXPPIZ-UHFFFAOYSA-N 0 3 328.376 2.429 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000749802565 577982222 /nfs/dbraw/zinc/98/22/22/577982222.db2.gz YFGMHXXSBCCKAJ-CABCVRRESA-N 0 3 343.387 2.169 20 5 EEBDHN Cc1nn(CN(C[C@H]2CCOC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938407 577984083 /nfs/dbraw/zinc/98/40/83/577984083.db2.gz KQZKUFBGFIIPFE-GFCCVEGCSA-N 0 3 331.376 2.106 20 5 EEBDHN O=C(CC1=CCOCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022658951 676917178 /nfs/dbraw/zinc/91/71/78/676917178.db2.gz IFUAIUXPVPGMGV-IYBDPMFKSA-N 0 3 345.399 2.068 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108459437 682742978 /nfs/dbraw/zinc/74/29/78/682742978.db2.gz LJTJAJYCGVTZAG-ZDUSSCGKSA-N 0 3 348.359 2.026 20 5 EEBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000893044554 683634862 /nfs/dbraw/zinc/63/48/62/683634862.db2.gz KHPQYRODLZNOTC-QWRGUYRKSA-N 0 3 330.381 2.088 20 5 EEBDHN C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895245608 684372303 /nfs/dbraw/zinc/37/23/03/684372303.db2.gz GVYYFUCJRCWUQB-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000878188754 1200311182 /nfs/dbraw/zinc/31/11/82/1200311182.db2.gz NYQCORBYNVTOHB-ZIAGYGMSSA-N 0 3 334.376 2.281 20 5 EEBDHN Cc1ccccc1-n1nc(C(=O)OCC(C)[N+](=O)[O-])c2c1CCC2 ZINC000813112263 1201122943 /nfs/dbraw/zinc/12/29/43/1201122943.db2.gz OTFHHCIJIGTBQD-LBPRGKRZSA-N 0 3 329.356 2.491 20 5 EEBDHN CC(COC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813114643 1201124947 /nfs/dbraw/zinc/12/49/47/1201124947.db2.gz VDHKGOGNIPZBKC-MRVPVSSYSA-N 0 3 325.321 2.122 20 5 EEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000192028449 1210408969 /nfs/dbraw/zinc/40/89/69/1210408969.db2.gz YSJDGCZVARUDDT-NSHDSACASA-N 0 3 347.824 2.044 20 5 EEBDHN Cc1ncsc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020002285 1229435821 /nfs/dbraw/zinc/43/58/21/1229435821.db2.gz HIZBNSBWQDZADC-JOCQHMNTSA-N 0 3 346.412 2.410 20 5 EEBDHN C[C@H](NCCn1cnc(Br)n1)c1ccc([N+](=O)[O-])cc1 ZINC000852095653 1291990873 /nfs/dbraw/zinc/99/08/73/1291990873.db2.gz CDSSWVFHXNGGKT-VIFPVBQESA-N 0 3 340.181 2.300 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001111814721 1303931622 /nfs/dbraw/zinc/93/16/22/1303931622.db2.gz YBHPLHAHHUNPEG-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN Cc1nnsc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233818253 1304602777 /nfs/dbraw/zinc/60/27/77/1304602777.db2.gz DELPMDIZHNDMIS-UHFFFAOYSA-N 0 3 349.416 2.007 20 5 EEBDHN N[C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccs1 ZINC001247260842 1310559672 /nfs/dbraw/zinc/55/96/72/1310559672.db2.gz SQSXTMLTWMJQEA-MRVPVSSYSA-N 0 3 335.320 2.483 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103883 1315476605 /nfs/dbraw/zinc/47/66/05/1315476605.db2.gz RUNIYILDEGOWHX-GZMMTYOYSA-N 0 3 342.783 2.483 20 5 EEBDHN CC(C)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843088392 1315839101 /nfs/dbraw/zinc/83/91/01/1315839101.db2.gz MZYIDZOUKQZHON-AVGNSLFASA-N 0 3 336.310 2.166 20 5 EEBDHN CCOc1nc(N2CCCc3ccc(CN)nc32)ccc1[N+](=O)[O-] ZINC001158653031 1319357991 /nfs/dbraw/zinc/35/79/91/1319357991.db2.gz YJCACMAWARSLDL-UHFFFAOYSA-N 0 3 329.360 2.327 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001160337805 1320138217 /nfs/dbraw/zinc/13/82/17/1320138217.db2.gz LXJPNDCOESBTNP-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN Cc1cncc(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001163318332 1321095905 /nfs/dbraw/zinc/09/59/05/1321095905.db2.gz UTAZSPYOJXTPEH-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1cocn1 ZINC001163799564 1321219996 /nfs/dbraw/zinc/21/99/96/1321219996.db2.gz OBBAYYKJTSXNSU-UHFFFAOYSA-N 0 3 344.371 2.273 20 5 EEBDHN CN(C)C1(C)CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165119644 1321458194 /nfs/dbraw/zinc/45/81/94/1321458194.db2.gz FCEXQDSHCXGLLY-UHFFFAOYSA-N 0 3 339.705 2.197 20 5 EEBDHN CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084317 1351835207 /nfs/dbraw/zinc/83/52/07/1351835207.db2.gz URTNYWJEESTPEW-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084317 1351835208 /nfs/dbraw/zinc/83/52/08/1351835208.db2.gz URTNYWJEESTPEW-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN Cn1cc(N2CC[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC001333684456 1336104729 /nfs/dbraw/zinc/10/47/29/1336104729.db2.gz KEXORHTZFJJVSB-CYBMUJFWSA-N 0 3 335.795 2.350 20 5 EEBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001338551804 1336875819 /nfs/dbraw/zinc/87/58/19/1336875819.db2.gz OVEVKYBVOIMDCL-GDBMZVCRSA-N 0 3 331.372 2.470 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001589136053 1348964277 /nfs/dbraw/zinc/96/42/77/1348964277.db2.gz OCIFWSOAGBKJNL-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001589136053 1348964281 /nfs/dbraw/zinc/96/42/81/1348964281.db2.gz OCIFWSOAGBKJNL-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(C)C[N@H+](C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589614310 1349012106 /nfs/dbraw/zinc/01/21/06/1349012106.db2.gz TTXUGZIWXKUGEH-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@@H+](C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589614310 1349012108 /nfs/dbraw/zinc/01/21/08/1349012108.db2.gz TTXUGZIWXKUGEH-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@H+](C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589614310 1349012115 /nfs/dbraw/zinc/01/21/15/1349012115.db2.gz TTXUGZIWXKUGEH-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC(C)C[N@@H+](C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589614310 1349012119 /nfs/dbraw/zinc/01/21/19/1349012119.db2.gz TTXUGZIWXKUGEH-UHFFFAOYSA-N 0 3 333.396 2.165 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590733070 1349393240 /nfs/dbraw/zinc/39/32/40/1349393240.db2.gz URHHOKDQIBACMX-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590733070 1349393247 /nfs/dbraw/zinc/39/32/47/1349393247.db2.gz URHHOKDQIBACMX-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590733070 1349393256 /nfs/dbraw/zinc/39/32/56/1349393256.db2.gz URHHOKDQIBACMX-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590733070 1349393263 /nfs/dbraw/zinc/39/32/63/1349393263.db2.gz URHHOKDQIBACMX-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001603078440 1350635024 /nfs/dbraw/zinc/63/50/24/1350635024.db2.gz YHOGSTOVSPMIEN-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604679874 1350983715 /nfs/dbraw/zinc/98/37/15/1350983715.db2.gz OGOGRTPLJDVPFJ-UONOGXRCSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604679874 1350983718 /nfs/dbraw/zinc/98/37/18/1350983718.db2.gz OGOGRTPLJDVPFJ-UONOGXRCSA-N 0 3 331.380 2.060 20 5 EEBDHN Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723101 1351218124 /nfs/dbraw/zinc/21/81/24/1351218124.db2.gz ODRZJCJLRGDPHG-KBPBESRZSA-N 0 3 345.407 2.224 20 5 EEBDHN Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723101 1351218128 /nfs/dbraw/zinc/21/81/28/1351218128.db2.gz ODRZJCJLRGDPHG-KBPBESRZSA-N 0 3 345.407 2.224 20 5 EEBDHN CC(C)CN1CCO[C@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553449 1368032915 /nfs/dbraw/zinc/03/29/15/1368032915.db2.gz ANMOQTWQGVMGNK-UKRRQHHQSA-N 0 3 336.436 2.184 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CN4CCC[C@@H]4CO3)c2c1 ZINC000840252766 782457512 /nfs/dbraw/zinc/45/75/12/782457512.db2.gz YHRBTIUKHHCXKM-HUUCEWRRSA-N 0 3 328.372 2.418 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CN4CCC[C@@H]4CO3)c2c1 ZINC000840252761 782457651 /nfs/dbraw/zinc/45/76/51/782457651.db2.gz YHRBTIUKHHCXKM-CABCVRRESA-N 0 3 328.372 2.418 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1[nH]ccc1C1CC1 ZINC001129082732 783984563 /nfs/dbraw/zinc/98/45/63/783984563.db2.gz NIFNATYYOOCFNC-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000818564819 785295567 /nfs/dbraw/zinc/29/55/67/785295567.db2.gz NISWKELBNWBTHK-UHFFFAOYSA-N 0 3 330.319 2.335 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccnc(N3CCCC3)c2)c1 ZINC000818946711 785336188 /nfs/dbraw/zinc/33/61/88/785336188.db2.gz UKMXXYZBCYLVTJ-KRWDZBQOSA-N 0 3 342.399 2.413 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455722 789113718 /nfs/dbraw/zinc/11/37/18/789113718.db2.gz OLMRLCRRHJHCNP-PHIMTYICSA-N 0 3 341.314 2.129 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878487 789972562 /nfs/dbraw/zinc/97/25/62/789972562.db2.gz GZEVYPWLIVKTIR-BDJLRTHQSA-N 0 3 335.335 2.442 20 5 EEBDHN CC([C@@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880343 789973250 /nfs/dbraw/zinc/97/32/50/789973250.db2.gz ZUFQOMZCAIQDEK-MEBBXXQBSA-N 0 3 334.303 2.088 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110158220 796291982 /nfs/dbraw/zinc/29/19/82/796291982.db2.gz FKJVMNAIRLPGMU-UHFFFAOYSA-N 0 3 338.383 2.135 20 5 EEBDHN NCc1cncn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006137 797193885 /nfs/dbraw/zinc/19/38/85/797193885.db2.gz NLNODLCJFOMKII-UHFFFAOYSA-N 0 3 337.330 2.370 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](CC(C)C)C(N)=O)c1F ZINC001173181102 797279602 /nfs/dbraw/zinc/27/96/02/797279602.db2.gz ATNWDNPADAYWLX-JQWIXIFHSA-N 0 3 341.383 2.163 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110194514 798401251 /nfs/dbraw/zinc/40/12/51/798401251.db2.gz NBETXQRCXJLSSE-UHFFFAOYSA-N 0 3 343.387 2.238 20 5 EEBDHN C/C=C(\C)C(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001178149260 799300817 /nfs/dbraw/zinc/30/08/17/799300817.db2.gz KMGCRKLDVBQINO-YIXHJXPBSA-N 0 3 337.424 2.061 20 5 EEBDHN CC[C@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000792431298 809747242 /nfs/dbraw/zinc/74/72/42/809747242.db2.gz KDVDELGVZAWOIQ-AWEZNQCLSA-N 0 3 327.768 2.345 20 5 EEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328386 809893236 /nfs/dbraw/zinc/89/32/36/809893236.db2.gz KHKBWMPLEWUEHD-HZUKXOBISA-N 0 3 326.368 2.329 20 5 EEBDHN CC[C@@](C)(O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000189736821 529508128 /nfs/dbraw/zinc/50/81/28/529508128.db2.gz APVXEUFRQAPFEG-QGZVFWFLSA-N 0 3 332.404 2.455 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267134741 282228944 /nfs/dbraw/zinc/22/89/44/282228944.db2.gz BKOSUGIJDKSAEW-KXPUMZMLSA-N 0 3 335.429 2.162 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000421891916 240045057 /nfs/dbraw/zinc/04/50/57/240045057.db2.gz KXVTXMOREKSRPL-HNNXBMFYSA-N 0 3 349.431 2.442 20 5 EEBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccn1 ZINC000451378944 243094899 /nfs/dbraw/zinc/09/48/99/243094899.db2.gz SQFWXIYTTDJTFC-UHFFFAOYSA-N 0 3 342.355 2.420 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCCN3CCOCC3)C2)cc1 ZINC000451553155 243155815 /nfs/dbraw/zinc/15/58/15/243155815.db2.gz XQNZTLKKPAZRSE-QGZVFWFLSA-N 0 3 333.432 2.497 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265206601 247297835 /nfs/dbraw/zinc/29/78/35/247297835.db2.gz AEULZASTLWMHAU-GFCCVEGCSA-N 0 3 330.388 2.490 20 5 EEBDHN C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000265274742 247361618 /nfs/dbraw/zinc/36/16/18/247361618.db2.gz PGEYEQHYDNCKNY-SNVBAGLBSA-N 0 3 329.784 2.083 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267173552 256034227 /nfs/dbraw/zinc/03/42/27/256034227.db2.gz LPULCSGWJZLNJX-HNNXBMFYSA-N 0 3 338.433 2.462 20 5 EEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491570 256140701 /nfs/dbraw/zinc/14/07/01/256140701.db2.gz MIMYLOVIBUQDLJ-JCURWCKSSA-N 0 3 345.399 2.471 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1N(C)C ZINC000270503008 256142201 /nfs/dbraw/zinc/14/22/01/256142201.db2.gz PTYBHDNWQNLNIX-ZYHUDNBSSA-N 0 3 329.447 2.082 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273506715 256302198 /nfs/dbraw/zinc/30/21/98/256302198.db2.gz NATCHHOQLFWUOE-HOTGVXAUSA-N 0 3 349.456 2.176 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106380 256354535 /nfs/dbraw/zinc/35/45/35/256354535.db2.gz VFXVNPBZHAEXAM-WOPDTQHZSA-N 0 3 337.376 2.099 20 5 EEBDHN CCN1CCN(c2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)CC1 ZINC000274494659 256376239 /nfs/dbraw/zinc/37/62/39/256376239.db2.gz QRWIUXIYOIQERH-UHFFFAOYSA-N 0 3 330.392 2.214 20 5 EEBDHN CSCC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159147796 533602663 /nfs/dbraw/zinc/60/26/63/533602663.db2.gz RMMOGILAVZUNPV-CQSZACIVSA-N 0 3 325.434 2.114 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497608 296498505 /nfs/dbraw/zinc/49/85/05/296498505.db2.gz AQQKYVCSSGIKAC-SJORKVTESA-N 0 3 348.399 2.348 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000356607528 141025235 /nfs/dbraw/zinc/02/52/35/141025235.db2.gz OHAMPNALWHXZNW-UHFFFAOYSA-N 0 3 348.447 2.085 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121107268 292261408 /nfs/dbraw/zinc/26/14/08/292261408.db2.gz QHQDOEAFBCTWQL-OAHLLOKOSA-N 0 3 332.404 2.363 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000343759008 161165366 /nfs/dbraw/zinc/16/53/66/161165366.db2.gz PWLFEABJPSAJAE-SMDDNHRTSA-N 0 3 335.335 2.219 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000351955702 162000478 /nfs/dbraw/zinc/00/04/78/162000478.db2.gz KTRJNFVLXLYMGG-NXEZZACHSA-N 0 3 343.330 2.409 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000351955704 162000523 /nfs/dbraw/zinc/00/05/23/162000523.db2.gz KTRJNFVLXLYMGG-VHSXEESVSA-N 0 3 343.330 2.409 20 5 EEBDHN CN1CCN(CC2(C)CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000367811307 166005974 /nfs/dbraw/zinc/00/59/74/166005974.db2.gz CRMDNIXDWBSSEI-UHFFFAOYSA-N 0 3 347.463 2.031 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(CC)CC ZINC000360021951 164217562 /nfs/dbraw/zinc/21/75/62/164217562.db2.gz GLWLGCQKDXIAOK-GFCCVEGCSA-N 0 3 343.449 2.166 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3ccco3)C2)c1 ZINC000374004084 167001330 /nfs/dbraw/zinc/00/13/30/167001330.db2.gz UXXDMOZFQPBCFB-ZFWWWQNUSA-N 0 3 332.356 2.417 20 5 EEBDHN CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000248643307 292634478 /nfs/dbraw/zinc/63/44/78/292634478.db2.gz ZXJFEUCVONEMRS-JYJNAYRXSA-N 0 3 333.388 2.247 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000272371079 268962193 /nfs/dbraw/zinc/96/21/93/268962193.db2.gz RYQXKRVRWBFYMJ-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272648542 269003868 /nfs/dbraw/zinc/00/38/68/269003868.db2.gz AFWZPXJMNRKZEC-CYBMUJFWSA-N 0 3 332.404 2.163 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000278251907 269219218 /nfs/dbraw/zinc/21/92/18/269219218.db2.gz CAWIXVVOYPHFLY-ZDUSSCGKSA-N 0 3 348.403 2.312 20 5 EEBDHN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC(C)CC1 ZINC000180528378 273553495 /nfs/dbraw/zinc/55/34/95/273553495.db2.gz FMDNUYHMQPRDNZ-HNNXBMFYSA-N 0 3 349.435 2.058 20 5 EEBDHN Cn1cc([C@@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126101 274435500 /nfs/dbraw/zinc/43/55/00/274435500.db2.gz QQAZKPGKPQXYNE-HOTGVXAUSA-N 0 3 330.388 2.374 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)N2CCCC2)n1 ZINC000286170060 274844266 /nfs/dbraw/zinc/84/42/66/274844266.db2.gz PKWKSSXCOKPFKS-CQSZACIVSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000288451411 275059811 /nfs/dbraw/zinc/05/98/11/275059811.db2.gz ZACBZZPDTMWTFQ-GXTWGEPZSA-N 0 3 328.372 2.316 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2c3ccccc3CC23CCOCC3)n1 ZINC000290155389 275184857 /nfs/dbraw/zinc/18/48/57/275184857.db2.gz OBLWWEVZJDMIOS-QGZVFWFLSA-N 0 3 342.399 2.475 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000269356819 278001902 /nfs/dbraw/zinc/00/19/02/278001902.db2.gz UIYKDPACINYXMX-CYBMUJFWSA-N 0 3 345.403 2.474 20 5 EEBDHN CC(C)c1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423699200 278031948 /nfs/dbraw/zinc/03/19/48/278031948.db2.gz PBTIWMSTKNBWKN-CYBMUJFWSA-N 0 3 327.331 2.445 20 5 EEBDHN C[C@](O)(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573913 278554823 /nfs/dbraw/zinc/55/48/23/278554823.db2.gz JOHIQEKWSKLQFR-UMNHJUIQSA-N 0 3 336.314 2.178 20 5 EEBDHN C[C@H](CCS(C)(=O)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964124 279271085 /nfs/dbraw/zinc/27/10/85/279271085.db2.gz AVPHUPIDTMIOIM-ABAIWWIYSA-N 0 3 326.418 2.385 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294195731 293393894 /nfs/dbraw/zinc/39/38/94/293393894.db2.gz PSZXPFLYDIUTEJ-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COCCNCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414891392 313107285 /nfs/dbraw/zinc/10/72/85/313107285.db2.gz VPNQAEXDKZKGNK-UHFFFAOYSA-N 0 3 336.417 2.044 20 5 EEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416664184 313289349 /nfs/dbraw/zinc/28/93/49/313289349.db2.gz RZHQBJXHEKDNET-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000440416637 315130109 /nfs/dbraw/zinc/13/01/09/315130109.db2.gz OBZHKPCRXHALIO-LBPRGKRZSA-N 0 3 349.412 2.401 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCC(C)(C)C1 ZINC000443963395 315266997 /nfs/dbraw/zinc/26/69/97/315266997.db2.gz UQSOUAVBCHRYCY-UHFFFAOYSA-N 0 3 334.420 2.488 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171055 317042107 /nfs/dbraw/zinc/04/21/07/317042107.db2.gz PBNAGGYPGKTQJE-OAHLLOKOSA-N 0 3 338.477 2.257 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCn2cnnc2CC)cc1[N+](=O)[O-] ZINC000545972044 318236898 /nfs/dbraw/zinc/23/68/98/318236898.db2.gz KEWOYPXIDYUZTO-GFCCVEGCSA-N 0 3 333.392 2.498 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1cnn(C)c1 ZINC000546704879 318262127 /nfs/dbraw/zinc/26/21/27/318262127.db2.gz HJTCCWVIOPJSLF-UHFFFAOYSA-N 0 3 345.403 2.490 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548413228 318386878 /nfs/dbraw/zinc/38/68/78/318386878.db2.gz OIKVBZNWLCATBM-CQSZACIVSA-N 0 3 331.376 2.131 20 5 EEBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004834 319234684 /nfs/dbraw/zinc/23/46/84/319234684.db2.gz FZKYDROBDJRJHY-LSDHHAIUSA-N 0 3 331.372 2.470 20 5 EEBDHN COC(=O)c1cc(CNCCOc2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000578813724 323711800 /nfs/dbraw/zinc/71/18/00/323711800.db2.gz VOHODMMUYOFPBV-UHFFFAOYSA-N 0 3 347.371 2.197 20 5 EEBDHN C[C@H]1COCCN1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000581981719 324352926 /nfs/dbraw/zinc/35/29/26/324352926.db2.gz JQARKXPNZVNTPZ-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CO[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626257 324699889 /nfs/dbraw/zinc/69/98/89/324699889.db2.gz KGVJVZAPZFFDNY-FUHWJXTLSA-N 0 3 346.383 2.312 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000347456999 465033595 /nfs/dbraw/zinc/03/35/95/465033595.db2.gz YEGMYAFYIYJWFS-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354577949 465034691 /nfs/dbraw/zinc/03/46/91/465034691.db2.gz PTRRRFAHDUWZDW-TZMCWYRMSA-N 0 3 341.433 2.088 20 5 EEBDHN CC(C)N1CCCC[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000339117467 465092818 /nfs/dbraw/zinc/09/28/18/465092818.db2.gz VJVLJIDRMINGKN-LBPRGKRZSA-N 0 3 331.372 2.454 20 5 EEBDHN C[C@H]1CCN(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048271 468302832 /nfs/dbraw/zinc/30/28/32/468302832.db2.gz MSZQGPGKSODDFY-WMLDXEAASA-N 0 3 343.431 2.349 20 5 EEBDHN CN(C)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000112915995 462553457 /nfs/dbraw/zinc/55/34/57/462553457.db2.gz BWGYYAYHQPTKLQ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000590688609 468306845 /nfs/dbraw/zinc/30/68/45/468306845.db2.gz WGEYUBJQIQCWAZ-IAGOWNOFSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089644491 462702881 /nfs/dbraw/zinc/70/28/81/462702881.db2.gz YVOJXAMJBZKJQQ-WBVHZDCISA-N 0 3 342.399 2.346 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067914244 463066236 /nfs/dbraw/zinc/06/62/36/463066236.db2.gz IGNQUIQSKGQGDQ-CQSZACIVSA-N 0 3 349.431 2.383 20 5 EEBDHN CSCC[C@@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000157257387 463113943 /nfs/dbraw/zinc/11/39/43/463113943.db2.gz SVOMEYHVTQUYRP-LLVKDONJSA-N 0 3 335.389 2.004 20 5 EEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000078689635 463141843 /nfs/dbraw/zinc/14/18/43/463141843.db2.gz MHIJTAGQJCBYNN-CYBMUJFWSA-N 0 3 342.403 2.068 20 5 EEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821939 463260560 /nfs/dbraw/zinc/26/05/60/463260560.db2.gz DFUDRCJENWDWHG-OAHLLOKOSA-N 0 3 330.340 2.489 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000553056360 468347032 /nfs/dbraw/zinc/34/70/32/468347032.db2.gz CJZZNMDNBJVZGE-UHFFFAOYSA-N 0 3 349.431 2.480 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](N)c2ccccc2)c1C ZINC000123799740 463370748 /nfs/dbraw/zinc/37/07/48/463370748.db2.gz IQFGYMMVFOXSBS-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124844388 463471122 /nfs/dbraw/zinc/47/11/22/463471122.db2.gz YGTHATFDCSCHEI-NSHDSACASA-N 0 3 347.462 2.070 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000108308116 463597074 /nfs/dbraw/zinc/59/70/74/463597074.db2.gz MZRJBTLENPMBRO-INIZCTEOSA-N 0 3 346.431 2.387 20 5 EEBDHN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000286828160 463718273 /nfs/dbraw/zinc/71/82/73/463718273.db2.gz OKOFNEFBJBEBDF-AWEZNQCLSA-N 0 3 346.431 2.429 20 5 EEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178177213 463857347 /nfs/dbraw/zinc/85/73/47/463857347.db2.gz MTKZTRZQXWOIPZ-GFCCVEGCSA-N 0 3 334.420 2.417 20 5 EEBDHN COC(=O)CCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000269116156 463879778 /nfs/dbraw/zinc/87/97/78/463879778.db2.gz ZXQBVLVYTYNNRG-UHFFFAOYSA-N 0 3 346.387 2.247 20 5 EEBDHN O=C1NCCC[C@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590971892 468388046 /nfs/dbraw/zinc/38/80/46/468388046.db2.gz UJMRDFNZIHQWLV-ZDUSSCGKSA-N 0 3 329.356 2.471 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292417384 464226790 /nfs/dbraw/zinc/22/67/90/464226790.db2.gz BNLBZJXZKWGLIW-OAHLLOKOSA-N 0 3 339.342 2.241 20 5 EEBDHN CCN(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000264934936 464504722 /nfs/dbraw/zinc/50/47/22/464504722.db2.gz UEWMEDGRXMMCNH-UHFFFAOYSA-N 0 3 337.423 2.223 20 5 EEBDHN CN1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000281580532 464510772 /nfs/dbraw/zinc/51/07/72/464510772.db2.gz FXITUTRCUQQPEE-UHFFFAOYSA-N 0 3 328.363 2.311 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272498683 464633453 /nfs/dbraw/zinc/63/34/53/464633453.db2.gz NRLAFAVUILHAJP-SJCJKPOMSA-N 0 3 342.399 2.171 20 5 EEBDHN Cc1[n-]nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000265727300 464662331 /nfs/dbraw/zinc/66/23/31/464662331.db2.gz PCVRZACBXAIOLF-UHFFFAOYSA-N 0 3 347.375 2.127 20 5 EEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000591155767 468417207 /nfs/dbraw/zinc/41/72/07/468417207.db2.gz TYJUFRVXAVBZBA-STQMWFEESA-N 0 3 326.397 2.145 20 5 EEBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000249596084 464897350 /nfs/dbraw/zinc/89/73/50/464897350.db2.gz WXACAORZSFWIKQ-SWLSCSKDSA-N 0 3 331.372 2.495 20 5 EEBDHN CN1CCC(Oc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000286611862 464976868 /nfs/dbraw/zinc/97/68/68/464976868.db2.gz YINTWSRDPRLGRB-UHFFFAOYSA-N 0 3 343.387 2.470 20 5 EEBDHN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986480 468429090 /nfs/dbraw/zinc/42/90/90/468429090.db2.gz UUBFPKJASTTWPF-UHFFFAOYSA-N 0 3 335.404 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339762094 465494953 /nfs/dbraw/zinc/49/49/53/465494953.db2.gz IUBHFAWYAYBADF-SJORKVTESA-N 0 3 336.388 2.013 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000299253619 465666490 /nfs/dbraw/zinc/66/64/90/465666490.db2.gz PZRABIXBERAIIF-MNOVXSKESA-N 0 3 338.383 2.166 20 5 EEBDHN CN1CCC2(CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000371360032 465741726 /nfs/dbraw/zinc/74/17/26/465741726.db2.gz BYQUHHSJPWBTSE-UHFFFAOYSA-N 0 3 333.388 2.060 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CN(C)C[C@H]3C)n2)c1 ZINC000361252298 465863735 /nfs/dbraw/zinc/86/37/35/465863735.db2.gz OPMUUHKGVBGSSY-MFKMUULPSA-N 0 3 332.360 2.242 20 5 EEBDHN CCN(CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493875 465930917 /nfs/dbraw/zinc/93/09/17/465930917.db2.gz ABLQNHMGUQXMHX-QGZVFWFLSA-N 0 3 343.431 2.492 20 5 EEBDHN CC[C@H](N[C@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711657 465961972 /nfs/dbraw/zinc/96/19/72/465961972.db2.gz MMXLXMKWPNBDGL-ULQDDVLXSA-N 0 3 338.404 2.456 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200031 465984815 /nfs/dbraw/zinc/98/48/15/465984815.db2.gz QSGGVHHDXSXLFB-JJRVBVJISA-N 0 3 347.415 2.162 20 5 EEBDHN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCC1 ZINC000361481644 466033884 /nfs/dbraw/zinc/03/38/84/466033884.db2.gz PFYXJGFAJTXXJR-UHFFFAOYSA-N 0 3 335.360 2.384 20 5 EEBDHN C[C@@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274165 466049831 /nfs/dbraw/zinc/04/98/31/466049831.db2.gz SBOPVTPHKSNZCG-PXAZEXFGSA-N 0 3 335.379 2.392 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000302038798 466084683 /nfs/dbraw/zinc/08/46/83/466084683.db2.gz GWTCMPLQNZQGOD-KRWDZBQOSA-N 0 3 342.399 2.477 20 5 EEBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192770 466740459 /nfs/dbraw/zinc/74/04/59/466740459.db2.gz XWVPVEGWIUHOEN-IUODEOHRSA-N 0 3 339.779 2.344 20 5 EEBDHN COc1ccc(OCCN2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377642061 467104116 /nfs/dbraw/zinc/10/41/16/467104116.db2.gz APXYNXBVGIJAGZ-KRWDZBQOSA-N 0 3 338.404 2.323 20 5 EEBDHN COc1ccc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425658872 467120079 /nfs/dbraw/zinc/12/00/79/467120079.db2.gz HOXDMHAHQAEESA-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN CN(CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000413347314 467222016 /nfs/dbraw/zinc/22/20/16/467222016.db2.gz KWFGRYNSQJIKPC-UHFFFAOYSA-N 0 3 347.462 2.346 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379496234 467368352 /nfs/dbraw/zinc/36/83/52/467368352.db2.gz QXUDDDMNHIPKPQ-BDAKNGLRSA-N 0 3 342.193 2.180 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420368436 467381024 /nfs/dbraw/zinc/38/10/24/467381024.db2.gz AQTLLYRSYKFCNN-BBRMVZONSA-N 0 3 344.419 2.352 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000457140314 467764836 /nfs/dbraw/zinc/76/48/36/467764836.db2.gz YLARIPAGUALJSH-CQSZACIVSA-N 0 3 335.404 2.305 20 5 EEBDHN CC(C)OC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530687536 468002388 /nfs/dbraw/zinc/00/23/88/468002388.db2.gz VOLQMPBGXUCWSY-OAHLLOKOSA-N 0 3 338.404 2.224 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648881 468092250 /nfs/dbraw/zinc/09/22/50/468092250.db2.gz MFSFWVRIWXMTOP-HIFRSBDPSA-N 0 3 342.399 2.499 20 5 EEBDHN COC(=O)c1cnc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599332 468631799 /nfs/dbraw/zinc/63/17/99/468631799.db2.gz JELZCMQHSRAJCT-STQMWFEESA-N 0 3 334.376 2.205 20 5 EEBDHN CC(C)(C)N1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594957132 468731352 /nfs/dbraw/zinc/73/13/52/468731352.db2.gz NXKGBEBHGYKFAN-CYBMUJFWSA-N 0 3 335.404 2.328 20 5 EEBDHN CO[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626259 468731405 /nfs/dbraw/zinc/73/14/05/468731405.db2.gz KGVJVZAPZFFDNY-WMZOPIPTSA-N 0 3 346.383 2.312 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000595490301 468874104 /nfs/dbraw/zinc/87/41/04/468874104.db2.gz PGTBQVALGKGPGC-BPUTZDHNSA-N 0 3 335.379 2.471 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112603 468875529 /nfs/dbraw/zinc/87/55/29/468875529.db2.gz QRQFKZSZWPOPRC-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC[C@@H](C)C1 ZINC000587210555 469086766 /nfs/dbraw/zinc/08/67/66/469086766.db2.gz PNDWMJOJRHQXRZ-NEPJUHHUSA-N 0 3 345.403 2.776 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000602841786 469110692 /nfs/dbraw/zinc/11/06/92/469110692.db2.gz SEOGTOGFTUYOBX-BONVTDFDSA-N 0 3 336.417 2.453 20 5 EEBDHN COCC[C@](C)(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602545632 469355510 /nfs/dbraw/zinc/35/55/10/469355510.db2.gz HLOVOFVSPPPUGG-ZDUSSCGKSA-N 0 3 336.310 2.491 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCc2c1cnn2CCO ZINC000608836702 469882938 /nfs/dbraw/zinc/88/29/38/469882938.db2.gz GFSVZGFOVHIJIF-DQOPKJQZSA-N 0 3 342.399 2.464 20 5 EEBDHN C[C@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139611 534002993 /nfs/dbraw/zinc/00/29/93/534002993.db2.gz MHSRILMXVOGGOZ-BJKJVOPESA-N 0 3 333.388 2.469 20 5 EEBDHN NC(=O)c1ccc(CN[C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181493551 534485437 /nfs/dbraw/zinc/48/54/37/534485437.db2.gz AEROUNHRZQSVFV-OAHLLOKOSA-N 0 3 335.404 2.115 20 5 EEBDHN CC(C)(CCS(C)(=O)=O)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000174639383 527061326 /nfs/dbraw/zinc/06/13/26/527061326.db2.gz DKGYJKMIBJCFSL-SOFGYWHQSA-N 0 3 326.418 2.411 20 5 EEBDHN CC1([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183875658 528053368 /nfs/dbraw/zinc/05/33/68/528053368.db2.gz UXSOOTXRNNEGOZ-CQSZACIVSA-N 0 3 336.388 2.449 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173989112 528259312 /nfs/dbraw/zinc/25/93/12/528259312.db2.gz DLZCXVPWLYKKOQ-CYBMUJFWSA-N 0 3 341.433 2.008 20 5 EEBDHN CC[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181932165 529295741 /nfs/dbraw/zinc/29/57/41/529295741.db2.gz FGANQTISTCPMGQ-STQMWFEESA-N 0 3 326.418 2.162 20 5 EEBDHN CNC(=O)c1ccc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447806713 536433943 /nfs/dbraw/zinc/43/39/43/536433943.db2.gz OHEKFQLAMXBHSZ-OAHLLOKOSA-N 0 3 334.420 2.487 20 5 EEBDHN COc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731677891 577116037 /nfs/dbraw/zinc/11/60/37/577116037.db2.gz BJWZBHIMQJCXOR-HNNXBMFYSA-N 0 3 347.327 2.335 20 5 EEBDHN CN1CCN(CCC(C)(C)Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000770229301 577592723 /nfs/dbraw/zinc/59/27/23/577592723.db2.gz UYFQNFBDBFLKOS-UHFFFAOYSA-N 0 3 346.435 2.071 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742413081 577872649 /nfs/dbraw/zinc/87/26/49/577872649.db2.gz ZLRWQFNVHBKSCQ-CABZTGNLSA-N 0 3 338.364 2.198 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000743587461 577887620 /nfs/dbraw/zinc/88/76/20/577887620.db2.gz OYHFDCBJZPOIDL-GFCCVEGCSA-N 0 3 338.364 2.127 20 5 EEBDHN CCNc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892801386 683079803 /nfs/dbraw/zinc/07/98/03/683079803.db2.gz RPDWKORVUCMCKX-KRWDZBQOSA-N 0 3 332.404 2.241 20 5 EEBDHN CC(COC(=O)COCCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000893048237 683646011 /nfs/dbraw/zinc/64/60/11/683646011.db2.gz TXZLJVBRMJNBKP-JTQLQIEISA-N 0 3 346.177 2.217 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000897238238 686304923 /nfs/dbraw/zinc/30/49/23/686304923.db2.gz WJDFSVDFKOVWAW-ZIAGYGMSSA-N 0 3 337.445 2.329 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072501003 1192540054 /nfs/dbraw/zinc/54/00/54/1192540054.db2.gz OVUZIMVOIQDWFL-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(c2ccccc2)CC1 ZINC000878439186 1200470080 /nfs/dbraw/zinc/47/00/80/1200470080.db2.gz UMZWFMNMVKPNMU-UHFFFAOYSA-N 0 3 330.388 2.083 20 5 EEBDHN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111818 1201122674 /nfs/dbraw/zinc/12/26/74/1201122674.db2.gz AHYSZLGHDXHCKU-NEPJUHHUSA-N 0 3 340.401 2.264 20 5 EEBDHN CC(COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)[N+](=O)[O-] ZINC000813112665 1201122868 /nfs/dbraw/zinc/12/28/68/1201122868.db2.gz SMAHQNIASJUMCR-MRVPVSSYSA-N 0 3 336.325 2.361 20 5 EEBDHN Cc1ccc(N[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c([N+](=O)[O-])c1 ZINC001097075571 1243661842 /nfs/dbraw/zinc/66/18/42/1243661842.db2.gz OGBMAMSXRCUKPD-HDJSIYSDSA-N 0 3 346.431 2.447 20 5 EEBDHN CC(C)=C(C)CC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001202020874 1289858407 /nfs/dbraw/zinc/85/84/07/1289858407.db2.gz XGUAAKCEEBZUNY-UHFFFAOYSA-N 0 3 349.435 2.155 20 5 EEBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308090 1292085539 /nfs/dbraw/zinc/08/55/39/1292085539.db2.gz UOFDUFJZRLKWEI-UHFFFAOYSA-N 0 3 341.412 2.026 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000856073622 1293398134 /nfs/dbraw/zinc/39/81/34/1293398134.db2.gz UJNHQZKTZQWZPO-LLVKDONJSA-N 0 3 338.383 2.014 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN[C@@H](C(C)C)C2)c1F ZINC000856490067 1293546093 /nfs/dbraw/zinc/54/60/93/1293546093.db2.gz VEQJHQGNZJUNRU-SNVBAGLBSA-N 0 3 327.331 2.251 20 5 EEBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C)CC1 ZINC000861895255 1295584891 /nfs/dbraw/zinc/58/48/91/1295584891.db2.gz VWFBIPSTMKAOJC-UHFFFAOYSA-N 0 3 339.367 2.055 20 5 EEBDHN Cc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)on1 ZINC001233864287 1304619302 /nfs/dbraw/zinc/61/93/02/1304619302.db2.gz UPJMJFDVWRWHAS-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001120810709 1309765625 /nfs/dbraw/zinc/76/56/25/1309765625.db2.gz UZKAQQIITABJBV-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001120874082 1309805845 /nfs/dbraw/zinc/80/58/45/1309805845.db2.gz IQVZBIJUPMTYOQ-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152978903 1316752968 /nfs/dbraw/zinc/75/29/68/1316752968.db2.gz ZLTDYSDGECMSHU-WNDYTACBSA-N 0 3 329.400 2.093 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC001254474087 1318083028 /nfs/dbraw/zinc/08/30/28/1318083028.db2.gz LNJZWPXUKZZGQM-GOSISDBHSA-N 0 3 347.415 2.055 20 5 EEBDHN O=C1OCCCN1C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610272 1318144846 /nfs/dbraw/zinc/14/48/46/1318144846.db2.gz JBFWIPMEIJLQCJ-KRWDZBQOSA-N 0 3 345.399 2.369 20 5 EEBDHN CCc1[nH]ccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157419360 1318624856 /nfs/dbraw/zinc/62/48/56/1318624856.db2.gz DWGIGRAGMUVPND-UHFFFAOYSA-N 0 3 336.417 2.457 20 5 EEBDHN Cc1cc(Cl)c(NCc2nnn3c2CNCCC3)c([N+](=O)[O-])c1 ZINC001162977560 1321003264 /nfs/dbraw/zinc/00/32/64/1321003264.db2.gz DFRCUNWNKHQHKA-UHFFFAOYSA-N 0 3 336.783 2.254 20 5 EEBDHN CCOCC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163251149 1321077230 /nfs/dbraw/zinc/07/72/30/1321077230.db2.gz OYTHJRNVIIWFMU-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCCC[C@@H]1C ZINC001609165093 1351871909 /nfs/dbraw/zinc/87/19/09/1351871909.db2.gz DALREVFHDVRJBR-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCCC[C@@H]1C ZINC001609165093 1351871911 /nfs/dbraw/zinc/87/19/11/1351871911.db2.gz DALREVFHDVRJBR-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCCC[C@@H]1C ZINC001609165093 1351871914 /nfs/dbraw/zinc/87/19/14/1351871914.db2.gz DALREVFHDVRJBR-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCCC[C@@H]1C ZINC001609165093 1351871919 /nfs/dbraw/zinc/87/19/19/1351871919.db2.gz DALREVFHDVRJBR-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001331559153 1335036390 /nfs/dbraw/zinc/03/63/90/1335036390.db2.gz XMILETBWMGTKIE-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN COc1ccccc1COC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC001335651181 1336406832 /nfs/dbraw/zinc/40/68/32/1336406832.db2.gz XSOSNAPKHMSUDP-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1ccccc1COC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001336702834 1336583295 /nfs/dbraw/zinc/58/32/95/1336583295.db2.gz GQUBIBGIJHFBLO-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001339266776 1336983040 /nfs/dbraw/zinc/98/30/40/1336983040.db2.gz WEDUNCJICRNARK-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN CC1(C)CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590084065 1349145451 /nfs/dbraw/zinc/14/54/51/1349145451.db2.gz TXUXTGNWOKUMPA-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC1(C)CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590084065 1349145453 /nfs/dbraw/zinc/14/54/53/1349145453.db2.gz TXUXTGNWOKUMPA-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603304402 1350683444 /nfs/dbraw/zinc/68/34/44/1350683444.db2.gz VPAISFRNUTZOJW-NSHDSACASA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603304402 1350683446 /nfs/dbraw/zinc/68/34/46/1350683446.db2.gz VPAISFRNUTZOJW-NSHDSACASA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001122252051 1371954944 /nfs/dbraw/zinc/95/49/44/1371954944.db2.gz IWVSCORBGRQUDY-GFCCVEGCSA-N 0 3 325.368 2.268 20 5 EEBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1Br ZINC000847713751 1373002549 /nfs/dbraw/zinc/00/25/49/1373002549.db2.gz APFVDRAORFHCBB-GZMMTYOYSA-N 0 3 332.150 2.345 20 5 EEBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000848762355 1373176115 /nfs/dbraw/zinc/17/61/15/1373176115.db2.gz MJLRYKZEFKSLTE-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CN(CCCNC(=O)Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001751966137 1406153324 /nfs/dbraw/zinc/15/33/24/1406153324.db2.gz BLCNKUVGZBGFBA-UHFFFAOYSA-N 0 3 331.372 2.369 20 5 EEBDHN NCc1nn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c2ccccc12 ZINC001167696751 761820743 /nfs/dbraw/zinc/82/07/43/761820743.db2.gz KAENLFJYWALSIR-UHFFFAOYSA-N 0 3 338.302 2.475 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC001127534523 770603290 /nfs/dbraw/zinc/60/32/90/770603290.db2.gz JRZQBCUXYKSRKP-UHFFFAOYSA-N 0 3 343.387 2.036 20 5 EEBDHN CN1CCc2c(NCCN3CCSCC3)ccc([N+](=O)[O-])c2C1 ZINC001167838360 777052962 /nfs/dbraw/zinc/05/29/62/777052962.db2.gz AVLOXTSTCALZLW-UHFFFAOYSA-N 0 3 336.461 2.043 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4nonc4c3)CC2)n1 ZINC000846881834 790694904 /nfs/dbraw/zinc/69/49/04/790694904.db2.gz WDUBRJKAFQLPSV-UHFFFAOYSA-N 0 3 328.332 2.165 20 5 EEBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818951297 785341155 /nfs/dbraw/zinc/34/11/55/785341155.db2.gz AOUVMUHDKUWRFR-INIZCTEOSA-N 0 3 332.356 2.435 20 5 EEBDHN Cc1nc(NCCCN(C)C(=O)CN(C)C2CCC2)ccc1[N+](=O)[O-] ZINC001109652900 805830295 /nfs/dbraw/zinc/83/02/95/805830295.db2.gz GZGVQSJZHDZYEM-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595675 793869084 /nfs/dbraw/zinc/86/90/84/793869084.db2.gz KOGASQNNWGSFCL-NSHDSACASA-N 0 3 340.181 2.407 20 5 EEBDHN CCN(CC)CC(=O)N1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095180701 797490906 /nfs/dbraw/zinc/49/09/06/797490906.db2.gz AUSYZAREQXBXOU-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095228447 797551926 /nfs/dbraw/zinc/55/19/26/797551926.db2.gz JGXCJLKNEIDSPQ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328389 809892862 /nfs/dbraw/zinc/89/28/62/809892862.db2.gz KHKBWMPLEWUEHD-SGIREYDYSA-N 0 3 326.368 2.329 20 5 EEBDHN C[C@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170562671 812887348 /nfs/dbraw/zinc/88/73/48/812887348.db2.gz JFEJNOGOUWLPNX-LRDDRELGSA-N 0 3 328.372 2.446 20 5 EEBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001520820134 1119196135 /nfs/dbraw/zinc/19/61/35/1119196135.db2.gz FSBSGIFJPHGDAJ-CYBMUJFWSA-N 0 3 336.440 2.090 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420469250 529611964 /nfs/dbraw/zinc/61/19/64/529611964.db2.gz VIWPGURSZOLIBB-INIZCTEOSA-N 0 3 349.412 2.136 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCSC1 ZINC000492090502 282228768 /nfs/dbraw/zinc/22/87/68/282228768.db2.gz BKOSUGIJDKSAEW-XITLMJRVSA-N 0 3 335.429 2.162 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181336 232101987 /nfs/dbraw/zinc/10/19/87/232101987.db2.gz XHSXTZBYYFWUPR-UHFFFAOYSA-N 0 3 342.399 2.381 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCC(O)CC1 ZINC000179590331 233199381 /nfs/dbraw/zinc/19/93/81/233199381.db2.gz DVHBNOOJMNWMNQ-UHFFFAOYSA-N 0 3 349.431 2.097 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000182218260 234505553 /nfs/dbraw/zinc/50/55/53/234505553.db2.gz PJLGDFNQLUTVOC-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552211 243155327 /nfs/dbraw/zinc/15/53/27/243155327.db2.gz YKPULHQATLZVTB-IJEWVQPXSA-N 0 3 338.404 2.081 20 5 EEBDHN C[C@H](N[C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611333 243176975 /nfs/dbraw/zinc/17/69/75/243176975.db2.gz PBEVJEMIQSUQRU-JECHBYEQSA-N 0 3 347.415 2.309 20 5 EEBDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451888873 243293411 /nfs/dbraw/zinc/29/34/11/243293411.db2.gz LMYXYJIJWIFIQP-UHFFFAOYSA-N 0 3 347.412 2.133 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452172924 243361504 /nfs/dbraw/zinc/36/15/04/243361504.db2.gz LMXAKDIPVWXRFG-LBPRGKRZSA-N 0 3 335.379 2.219 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491530425 246061008 /nfs/dbraw/zinc/06/10/08/246061008.db2.gz BBGYTTRJCFFTBM-KBOKABMXSA-N 0 3 347.415 2.177 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936149 247946265 /nfs/dbraw/zinc/94/62/65/247946265.db2.gz FAQUPTMWRLQFMO-HPEDKQMDSA-N 0 3 333.388 2.325 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000266000228 248015165 /nfs/dbraw/zinc/01/51/65/248015165.db2.gz KVLDEXLNWWWMKQ-KRWDZBQOSA-N 0 3 330.388 2.237 20 5 EEBDHN CCN(CCN1CCCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343805474 284929048 /nfs/dbraw/zinc/92/90/48/284929048.db2.gz LCPXKMQPLALWIZ-UHFFFAOYSA-N 0 3 334.420 2.396 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150639 256119571 /nfs/dbraw/zinc/11/95/71/256119571.db2.gz MOXXLMDEMHVOKL-BONVTDFDSA-N 0 3 330.388 2.374 20 5 EEBDHN COc1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271055939 256203138 /nfs/dbraw/zinc/20/31/38/256203138.db2.gz UUBMLKZGKRIRAH-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000271216615 256221128 /nfs/dbraw/zinc/22/11/28/256221128.db2.gz IZSJPDVFOPQCQD-COXVUDFISA-N 0 3 330.388 2.408 20 5 EEBDHN COc1ccc(NC(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000272875335 256245360 /nfs/dbraw/zinc/24/53/60/256245360.db2.gz VQZZWBHUJGPXGN-UHFFFAOYSA-N 0 3 336.392 2.457 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000273168384 256272720 /nfs/dbraw/zinc/27/27/20/256272720.db2.gz OONMAXPYXCCQRA-CVEARBPZSA-N 0 3 346.383 2.048 20 5 EEBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273558339 256307007 /nfs/dbraw/zinc/30/70/07/256307007.db2.gz BFZBGMKTZGCTJU-OAHLLOKOSA-N 0 3 327.388 2.343 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(O)(Cc3cccc(F)c3)CC2)n1 ZINC000186946437 160087594 /nfs/dbraw/zinc/08/75/94/160087594.db2.gz CITOPCAHVWHION-UHFFFAOYSA-N 0 3 348.378 2.000 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920296 161024048 /nfs/dbraw/zinc/02/40/48/161024048.db2.gz JDGSVBZQMSTILH-CHWSQXEVSA-N 0 3 326.418 2.379 20 5 EEBDHN Cc1sc(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000343470631 161138952 /nfs/dbraw/zinc/13/89/52/161138952.db2.gz XGXTWAGOZUOVBQ-UHFFFAOYSA-N 0 3 347.462 2.119 20 5 EEBDHN C[C@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343542641 161145032 /nfs/dbraw/zinc/14/50/32/161145032.db2.gz YPXWIFXJRPACNT-SWLSCSKDSA-N 0 3 330.388 2.148 20 5 EEBDHN Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000346723879 161396163 /nfs/dbraw/zinc/39/61/63/161396163.db2.gz VLANWPMXUBDEOM-OAHLLOKOSA-N 0 3 335.404 2.086 20 5 EEBDHN CCCCN(C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000352377561 162111881 /nfs/dbraw/zinc/11/18/81/162111881.db2.gz IZLHSXGPSVUVFN-UHFFFAOYSA-N 0 3 332.404 2.398 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352593344 162203551 /nfs/dbraw/zinc/20/35/51/162203551.db2.gz PTCSVNQRCRQODJ-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN COc1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000357164266 163640903 /nfs/dbraw/zinc/64/09/03/163640903.db2.gz DWPBJLRBAAWUJN-AWEZNQCLSA-N 0 3 335.404 2.454 20 5 EEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359792564 164172913 /nfs/dbraw/zinc/17/29/13/164172913.db2.gz KYOZKAOHKSYYPL-UHFFFAOYSA-N 0 3 349.435 2.199 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000369105369 166190287 /nfs/dbraw/zinc/19/02/87/166190287.db2.gz WAWUNGSJLCEQGG-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000374841073 167049711 /nfs/dbraw/zinc/04/97/11/167049711.db2.gz DDPSVWGEFKLFSP-LLVKDONJSA-N 0 3 336.367 2.017 20 5 EEBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000271898580 268869852 /nfs/dbraw/zinc/86/98/52/268869852.db2.gz UYLFGQCWPODKFT-CABCVRRESA-N 0 3 333.388 2.471 20 5 EEBDHN C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272780302 269020311 /nfs/dbraw/zinc/02/03/11/269020311.db2.gz RXCNSQHPVIOEIU-NSHDSACASA-N 0 3 339.342 2.453 20 5 EEBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000275258600 269105488 /nfs/dbraw/zinc/10/54/88/269105488.db2.gz RPXRYPMOGQYWPE-ZFWWWQNUSA-N 0 3 337.376 2.089 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269101303 274109981 /nfs/dbraw/zinc/10/99/81/274109981.db2.gz RVOMCYGHAIEDEW-DOTOQJQBSA-N 0 3 342.399 2.285 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892896 274119055 /nfs/dbraw/zinc/11/90/55/274119055.db2.gz BXYADEIUFGTYDB-SRMUXQRQSA-N 0 3 345.399 2.469 20 5 EEBDHN C[C@@H](CCS(C)(=O)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964106 274210382 /nfs/dbraw/zinc/21/03/82/274210382.db2.gz AVPHUPIDTMIOIM-NHYWBVRUSA-N 0 3 326.418 2.385 20 5 EEBDHN Cc1c(Br)c(N2CCNC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000165695320 274658024 /nfs/dbraw/zinc/65/80/24/274658024.db2.gz JHZIHYPKNIPTLX-UHFFFAOYSA-N 0 3 329.198 2.249 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC000291628949 275324681 /nfs/dbraw/zinc/32/46/81/275324681.db2.gz BLDFAWRCWSRTNW-GFCCVEGCSA-N 0 3 348.403 2.087 20 5 EEBDHN C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570426 293241924 /nfs/dbraw/zinc/24/19/24/293241924.db2.gz DMMPVEHQGAVVLU-FZMZJTMJSA-N 0 3 349.362 2.407 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294076326 293364275 /nfs/dbraw/zinc/36/42/75/293364275.db2.gz JLBSRKSIEZUUMB-SFHVURJKSA-N 0 3 346.431 2.219 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296051926 293880327 /nfs/dbraw/zinc/88/03/27/293880327.db2.gz FSQPAKVOHWRXBG-KBRIMQKVSA-N 0 3 345.399 2.389 20 5 EEBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(C4CCCCC4)CC3)nn21 ZINC000301919703 294911119 /nfs/dbraw/zinc/91/11/19/294911119.db2.gz FJFISMUSNPCARO-UHFFFAOYSA-N 0 3 330.392 2.092 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000440080449 315110849 /nfs/dbraw/zinc/11/08/49/315110849.db2.gz NVAHVZUNTBWDPI-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN NC(=O)[C@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542726781 318137953 /nfs/dbraw/zinc/13/79/53/318137953.db2.gz AYASTLPSAAFQNO-HNNXBMFYSA-N 0 3 347.802 2.477 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccncc2)C1 ZINC000574355499 320017665 /nfs/dbraw/zinc/01/76/65/320017665.db2.gz WMSYLXAKELGNJG-CVEARBPZSA-N 0 3 343.383 2.219 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000574574207 320037752 /nfs/dbraw/zinc/03/77/52/320037752.db2.gz BPFCWZNGPSGYGL-JTQLQIEISA-N 0 3 338.383 2.118 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000575186009 320094334 /nfs/dbraw/zinc/09/43/34/320094334.db2.gz QXEJEXVJDDOKMS-GOSISDBHSA-N 0 3 342.399 2.328 20 5 EEBDHN COC1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705656 449389051 /nfs/dbraw/zinc/38/90/51/449389051.db2.gz ALEKZVIJVHUVLS-UHFFFAOYSA-N 0 3 331.376 2.061 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577815 465101980 /nfs/dbraw/zinc/10/19/80/465101980.db2.gz GSQKRAQHIGRFIZ-HZPDHXFCSA-N 0 3 343.431 2.386 20 5 EEBDHN CN(C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341405379 465150175 /nfs/dbraw/zinc/15/01/75/465150175.db2.gz PVXLKCHHKIIMPS-CQSZACIVSA-N 0 3 342.399 2.279 20 5 EEBDHN CCNc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356384227 465351043 /nfs/dbraw/zinc/35/10/43/465351043.db2.gz DELBFVUAYJBVBC-WFASDCNBSA-N 0 3 334.420 2.439 20 5 EEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000154674532 462795584 /nfs/dbraw/zinc/79/55/84/462795584.db2.gz IAQGNXMPNZQOBL-WBVHZDCISA-N 0 3 330.388 2.371 20 5 EEBDHN CCN(CC)Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052566993 463091659 /nfs/dbraw/zinc/09/16/59/463091659.db2.gz KIUQUUPWHMUBIA-UHFFFAOYSA-N 0 3 331.376 2.272 20 5 EEBDHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026854350 463174535 /nfs/dbraw/zinc/17/45/35/463174535.db2.gz BKBRQTNVCLOMDB-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN CN(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027583246 463197011 /nfs/dbraw/zinc/19/70/11/463197011.db2.gz AVGGEQKYUUGTFA-KRWDZBQOSA-N 0 3 341.411 2.426 20 5 EEBDHN CN(CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000079738733 463246037 /nfs/dbraw/zinc/24/60/37/463246037.db2.gz HNIWHBLPGAUOFZ-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(C(=O)C2CC2)CC1 ZINC000069529754 463270286 /nfs/dbraw/zinc/27/02/86/463270286.db2.gz ODCKRGUYCYHAPD-UHFFFAOYSA-N 0 3 347.415 2.484 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124844160 463470697 /nfs/dbraw/zinc/47/06/97/463470697.db2.gz YGTHATFDCSCHEI-LLVKDONJSA-N 0 3 347.462 2.070 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N(C)C1CC1 ZINC000057716079 463513447 /nfs/dbraw/zinc/51/34/47/463513447.db2.gz CMJDEWZCHKQAEB-CYBMUJFWSA-N 0 3 346.431 2.408 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000072637079 463527969 /nfs/dbraw/zinc/52/79/69/463527969.db2.gz ZWJADRJWEGKQBB-JKSUJKDBSA-N 0 3 332.448 2.368 20 5 EEBDHN CCCCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000112443852 463702379 /nfs/dbraw/zinc/70/23/79/463702379.db2.gz WCQUXOMVQJOUMV-UHFFFAOYSA-N 0 3 338.408 2.135 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219855 463837501 /nfs/dbraw/zinc/83/75/01/463837501.db2.gz QEEFFRZLPKSLPM-NWDGAFQWSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219855 463837508 /nfs/dbraw/zinc/83/75/08/463837508.db2.gz QEEFFRZLPKSLPM-NWDGAFQWSA-N 0 3 335.408 2.140 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287333802 463871515 /nfs/dbraw/zinc/87/15/15/463871515.db2.gz MRNOWYKMWZMYLX-UHFFFAOYSA-N 0 3 326.828 2.322 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000492334541 468383285 /nfs/dbraw/zinc/38/32/85/468383285.db2.gz BVGRETMLZFDSIV-TWPIFRAZSA-N 0 3 333.363 2.300 20 5 EEBDHN COc1cc(C(=O)NCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000195486046 464059893 /nfs/dbraw/zinc/05/98/93/464059893.db2.gz PEOTZUGUGJMEKJ-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2[n-]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263681112 464150682 /nfs/dbraw/zinc/15/06/82/464150682.db2.gz KVQQQQWZKZUQCO-LBPRGKRZSA-N 0 3 347.375 2.095 20 5 EEBDHN C[C@H](c1ccccc1)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248614 464172735 /nfs/dbraw/zinc/17/27/35/464172735.db2.gz QSEMKERZRKKXEX-DYVFJYSZSA-N 0 3 343.383 2.221 20 5 EEBDHN CCOc1ccccc1[C@H](CC)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754704 464182175 /nfs/dbraw/zinc/18/21/75/464182175.db2.gz GPBBQARPDUQOAT-ZBFHGGJFSA-N 0 3 348.403 2.292 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000272228692 464527601 /nfs/dbraw/zinc/52/76/01/464527601.db2.gz VHLKGRVJUGMXCU-AWEZNQCLSA-N 0 3 348.447 2.220 20 5 EEBDHN Cc1c([C@H](C)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000246067366 464538541 /nfs/dbraw/zinc/53/85/41/464538541.db2.gz SCBPQDIEIJIVMK-ZENOOKHLSA-N 0 3 335.404 2.190 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272371683 464581945 /nfs/dbraw/zinc/58/19/45/464581945.db2.gz BPRMVIPTIUIPEJ-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265573803 464606164 /nfs/dbraw/zinc/60/61/64/464606164.db2.gz LZJDZDQHQZGXHR-CYBMUJFWSA-N 0 3 348.403 2.231 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000294952351 464661022 /nfs/dbraw/zinc/66/10/22/464661022.db2.gz AWYCAKFIFBBWHU-UONOGXRCSA-N 0 3 346.431 2.338 20 5 EEBDHN Cc1nc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000294964704 464665071 /nfs/dbraw/zinc/66/50/71/464665071.db2.gz LHPYIASRXRPABZ-OAHLLOKOSA-N 0 3 342.403 2.047 20 5 EEBDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465363 464756265 /nfs/dbraw/zinc/75/62/65/464756265.db2.gz RPPGQIFDFAEPST-FRRDWIJNSA-N 0 3 326.418 2.160 20 5 EEBDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295298934 464780005 /nfs/dbraw/zinc/78/00/05/464780005.db2.gz JCYBRYLGAIDTCT-GUYCJALGSA-N 0 3 347.415 2.415 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000248664952 464783577 /nfs/dbraw/zinc/78/35/77/464783577.db2.gz KXLBGHYUTHZKCQ-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1nc(NCCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000348349800 465562167 /nfs/dbraw/zinc/56/21/67/465562167.db2.gz XJDZJBHTQQSTSQ-UHFFFAOYSA-N 0 3 344.415 2.893 20 5 EEBDHN CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CCN1C ZINC000337855201 465630835 /nfs/dbraw/zinc/63/08/35/465630835.db2.gz KWKKQZMTNVIJQT-HNNXBMFYSA-N 0 3 344.419 2.167 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000360930498 465639824 /nfs/dbraw/zinc/63/98/24/465639824.db2.gz VNTFANKMMNLKFK-HNNXBMFYSA-N 0 3 347.415 2.369 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000357018545 465704761 /nfs/dbraw/zinc/70/47/61/465704761.db2.gz ABHHUXKGBNRRRS-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330597779 465724218 /nfs/dbraw/zinc/72/42/18/465724218.db2.gz SNOIAUKCNWGAGI-CHWSQXEVSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176627 465963472 /nfs/dbraw/zinc/96/34/72/465963472.db2.gz KDXZHWCYMHLWEZ-GRDNDAEWSA-N 0 3 347.415 2.162 20 5 EEBDHN CNc1c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216392 465999961 /nfs/dbraw/zinc/99/99/61/465999961.db2.gz INJDWGMKRACHCX-WOSRLPQWSA-N 0 3 346.431 2.439 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 ZINC000346264293 466039181 /nfs/dbraw/zinc/03/91/81/466039181.db2.gz CQMIZRAEGJASJU-MRXNPFEDSA-N 0 3 335.429 2.241 20 5 EEBDHN Cn1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336016 466085761 /nfs/dbraw/zinc/08/57/61/466085761.db2.gz PKEZPCMUBWTZAM-JQFCIGGWSA-N 0 3 342.399 2.198 20 5 EEBDHN CCOc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000303042285 466218796 /nfs/dbraw/zinc/21/87/96/466218796.db2.gz SOTBZPKPDRLSLF-UHFFFAOYSA-N 0 3 347.375 2.004 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000349785228 466238712 /nfs/dbraw/zinc/23/87/12/466238712.db2.gz SUVRFNXHNHHRAI-GFCCVEGCSA-N 0 3 343.449 2.164 20 5 EEBDHN Cc1cc(N2C[C@@H](N(C)C)[C@@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728910 466340867 /nfs/dbraw/zinc/34/08/67/466340867.db2.gz RNHQZIMXLLWGPR-OLZOCXBDSA-N 0 3 333.310 2.033 20 5 EEBDHN CCC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318540 466558976 /nfs/dbraw/zinc/55/89/76/466558976.db2.gz UBVKJBOEYQBUSO-WFASDCNBSA-N 0 3 326.418 2.460 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000354446060 466573935 /nfs/dbraw/zinc/57/39/35/466573935.db2.gz MZNHXYIKOZCTFN-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347428771 466628810 /nfs/dbraw/zinc/62/88/10/466628810.db2.gz JUEVYEBSUSIUEF-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN COC(=O)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365819380 466949890 /nfs/dbraw/zinc/94/98/90/466949890.db2.gz JMIVIHIUBOBQKM-UHFFFAOYSA-N 0 3 344.371 2.415 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411985572 466959034 /nfs/dbraw/zinc/95/90/34/466959034.db2.gz DSVHTGKSUKUUSR-CZUORRHYSA-N 0 3 338.404 2.259 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425488952 467098741 /nfs/dbraw/zinc/09/87/41/467098741.db2.gz XNASANSUUSJCRF-MRXNPFEDSA-N 0 3 334.420 2.195 20 5 EEBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413029082 467157738 /nfs/dbraw/zinc/15/77/38/467157738.db2.gz FKDYEXFTULGGLL-UHFFFAOYSA-N 0 3 347.341 2.058 20 5 EEBDHN CN(CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000413350587 467223030 /nfs/dbraw/zinc/22/30/30/467223030.db2.gz XBSGAKVIXVDZAY-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN CN(C)CC(C)(C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000413361069 467224952 /nfs/dbraw/zinc/22/49/52/467224952.db2.gz NYKUQJHFVATCAL-UHFFFAOYSA-N 0 3 345.403 2.311 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000428889196 467278902 /nfs/dbraw/zinc/27/89/02/467278902.db2.gz VOLHKYPLMVIMNM-ZDUSSCGKSA-N 0 3 331.376 2.180 20 5 EEBDHN C[C@@H]1NCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379496236 467368368 /nfs/dbraw/zinc/36/83/68/467368368.db2.gz QXUDDDMNHIPKPQ-IUCAKERBSA-N 0 3 342.193 2.180 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376159 467384376 /nfs/dbraw/zinc/38/43/76/467384376.db2.gz JQGKKHTWIRWRKD-TZMCWYRMSA-N 0 3 330.392 2.043 20 5 EEBDHN CNc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000434418923 467397875 /nfs/dbraw/zinc/39/78/75/467397875.db2.gz GXHYASLXZMDMOV-CYBMUJFWSA-N 0 3 332.404 2.383 20 5 EEBDHN CNc1nc(C(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000454478644 467595497 /nfs/dbraw/zinc/59/54/97/467595497.db2.gz LVIGRZZUVOGPRB-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449658591 467680116 /nfs/dbraw/zinc/68/01/16/467680116.db2.gz BEJFGDMBWSCGIU-JOYOIKCWSA-N 0 3 345.371 2.189 20 5 EEBDHN COc1cc(CNCC(C)(C)C(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000449729388 467702172 /nfs/dbraw/zinc/70/21/72/467702172.db2.gz ZHQZAKADOWSLOO-UHFFFAOYSA-N 0 3 326.393 2.499 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[N+](=O)[O-] ZINC000493520741 467930323 /nfs/dbraw/zinc/93/03/23/467930323.db2.gz KFUCLXLMJHQDIK-WBTMPAOCSA-N 0 3 346.383 2.147 20 5 EEBDHN C[C@@H](C(=O)NCCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642134 467944845 /nfs/dbraw/zinc/94/48/45/467944845.db2.gz MPEKJWJCYIYEGM-LSDHHAIUSA-N 0 3 349.431 2.315 20 5 EEBDHN CCc1cnccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514668641 467947104 /nfs/dbraw/zinc/94/71/04/467947104.db2.gz IXHFHUVYWAOSOY-INIZCTEOSA-N 0 3 331.372 2.082 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000516139217 468014455 /nfs/dbraw/zinc/01/44/55/468014455.db2.gz YMIGORWWVDBAED-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000550367678 468215292 /nfs/dbraw/zinc/21/52/92/468215292.db2.gz RTMBEUZGVBFAIC-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418819 468579919 /nfs/dbraw/zinc/57/99/19/468579919.db2.gz LVYALHIIRHEHER-VXGBXAGGSA-N 0 3 335.408 2.188 20 5 EEBDHN C[C@@H]1CC2(CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCOCC2 ZINC000592183020 468648216 /nfs/dbraw/zinc/64/82/16/468648216.db2.gz HGSQGMVWZNBZFJ-GFCCVEGCSA-N 0 3 333.388 2.085 20 5 EEBDHN COc1ccc(COC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000583517071 468709222 /nfs/dbraw/zinc/70/92/22/468709222.db2.gz AWEZNXPXXFBVFU-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN O=C([C@H]1CNCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966013 468829964 /nfs/dbraw/zinc/82/99/64/468829964.db2.gz REMSMDJBBJQHGA-CQSZACIVSA-N 0 3 339.342 2.331 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000602767902 469061273 /nfs/dbraw/zinc/06/12/73/469061273.db2.gz LEQOISAJLGXNLK-HOTGVXAUSA-N 0 3 341.415 2.168 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587997145 469101987 /nfs/dbraw/zinc/10/19/87/469101987.db2.gz GZLXHOWNULPHPK-CQSZACIVSA-N 0 3 336.411 2.339 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090501 469150348 /nfs/dbraw/zinc/15/03/48/469150348.db2.gz WKXAAOJGINYJMD-TZMCWYRMSA-N 0 3 327.388 2.819 20 5 EEBDHN COc1ccc(CC(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000573778449 469202509 /nfs/dbraw/zinc/20/25/09/469202509.db2.gz XFVBKNDFWGKQOA-AWEZNQCLSA-N 0 3 335.404 2.087 20 5 EEBDHN O=c1[n-]ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000596281033 469231046 /nfs/dbraw/zinc/23/10/46/469231046.db2.gz LQFUCXSEIPGYDN-GOEBONIOSA-N 0 3 340.383 2.406 20 5 EEBDHN O=c1[n-]ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000596281033 469231051 /nfs/dbraw/zinc/23/10/51/469231051.db2.gz LQFUCXSEIPGYDN-GOEBONIOSA-N 0 3 340.383 2.406 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(c2ccncc2)CC1 ZINC000603081485 469254311 /nfs/dbraw/zinc/25/43/11/469254311.db2.gz BESLGTAFIZZTKL-UHFFFAOYSA-N 0 3 344.346 2.481 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611780460 469322165 /nfs/dbraw/zinc/32/21/65/469322165.db2.gz BYQGITFRBCIEJX-CVEARBPZSA-N 0 3 339.823 2.279 20 5 EEBDHN COc1ccc(C)cc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612029843 469369988 /nfs/dbraw/zinc/36/99/88/469369988.db2.gz FXXNWGDRBKNEQK-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN CC[C@H]1CN(CC)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451729077 536141262 /nfs/dbraw/zinc/14/12/62/536141262.db2.gz IXCGEPRJCFKSTQ-AWEZNQCLSA-N 0 3 337.420 2.398 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425061515 536487704 /nfs/dbraw/zinc/48/77/04/536487704.db2.gz ZDZSEQFGCGKFOK-SWLSCSKDSA-N 0 3 337.807 2.343 20 5 EEBDHN COc1cc(CNCCN2CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000725848875 576068120 /nfs/dbraw/zinc/06/81/20/576068120.db2.gz AVZFVYHCQFNPFP-UHFFFAOYSA-N 0 3 343.383 2.461 20 5 EEBDHN CCN1CCC[C@H]1CNC(=S)NNc1cccc([N+](=O)[O-])c1C ZINC000727981576 576465440 /nfs/dbraw/zinc/46/54/40/576465440.db2.gz OJZMADKUQKXVPE-LBPRGKRZSA-N 0 3 337.449 2.179 20 5 EEBDHN CCN(CC)CCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000772138807 577254071 /nfs/dbraw/zinc/25/40/71/577254071.db2.gz YZJUDXBCBIASKU-UHFFFAOYSA-N 0 3 333.344 2.347 20 5 EEBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580953 577463138 /nfs/dbraw/zinc/46/31/38/577463138.db2.gz APIUVJZKNZAGGD-WMLDXEAASA-N 0 3 349.431 2.257 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000742413080 577872692 /nfs/dbraw/zinc/87/26/92/577872692.db2.gz ZLRWQFNVHBKSCQ-BXKDBHETSA-N 0 3 338.364 2.198 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000934398456 678334653 /nfs/dbraw/zinc/33/46/53/678334653.db2.gz ZKRZYDMVEXFTMW-KVPRVUCYSA-N 0 3 329.400 2.440 20 5 EEBDHN C[C@H](C(=O)N[C@@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777217 683032666 /nfs/dbraw/zinc/03/26/66/683032666.db2.gz INRNLZUGMFPWRC-GTNSWQLSSA-N 0 3 335.379 2.438 20 5 EEBDHN C[C@@]1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN2CCC1CC2 ZINC000892784598 683050264 /nfs/dbraw/zinc/05/02/64/683050264.db2.gz JHTRVZBGFQHJPD-GOSISDBHSA-N 0 3 342.399 2.150 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(CO)(CO)CC2)o1 ZINC000877797419 1200114053 /nfs/dbraw/zinc/11/40/53/1200114053.db2.gz HGSKMPPTQRWOJF-UHFFFAOYSA-N 0 3 346.383 2.422 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880570711 1201525810 /nfs/dbraw/zinc/52/58/10/1201525810.db2.gz ZUYRMIHTXTWLRT-MRXNPFEDSA-N 0 3 340.387 2.327 20 5 EEBDHN O=C(CN1CCCC1)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001057501604 1244013481 /nfs/dbraw/zinc/01/34/81/1244013481.db2.gz LWIOWQNPWFLHPW-UHFFFAOYSA-N 0 3 346.431 2.341 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)cc1 ZINC001218108854 1297575060 /nfs/dbraw/zinc/57/50/60/1297575060.db2.gz NTMJEMVHVHUENN-QZTJIDSGSA-N 0 3 325.368 2.297 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC001111828254 1303958093 /nfs/dbraw/zinc/95/80/93/1303958093.db2.gz XZERIGIHWBAZHC-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CCN1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234360179 1304898115 /nfs/dbraw/zinc/89/81/15/1304898115.db2.gz NNGDSFZDUAKVNR-HNNXBMFYSA-N 0 3 335.404 2.295 20 5 EEBDHN Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1C ZINC001154585030 1317218120 /nfs/dbraw/zinc/21/81/20/1317218120.db2.gz KYZSBUZNDQBVIU-UHFFFAOYSA-N 0 3 336.417 2.213 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001254611320 1318144403 /nfs/dbraw/zinc/14/44/03/1318144403.db2.gz PNRHOCUYABTKQK-DLBZAZTESA-N 0 3 340.383 2.395 20 5 EEBDHN C[C@H](N)c1nc2ccccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162757855 1320951233 /nfs/dbraw/zinc/95/12/33/1320951233.db2.gz DNCPAKZIMWYXSK-QMMMGPOBSA-N 0 3 333.735 2.240 20 5 EEBDHN COC(=O)C[C@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308016810 1331558396 /nfs/dbraw/zinc/55/83/96/1331558396.db2.gz PVYYOORPZUGHOL-KRWDZBQOSA-N 0 3 349.387 2.163 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCCC[NH+]1CCCC1 ZINC001609599793 1352029825 /nfs/dbraw/zinc/02/98/25/1352029825.db2.gz AOLVIDJPXRJBGK-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCCC[NH+]1CCCC1 ZINC001609599793 1352029828 /nfs/dbraw/zinc/02/98/28/1352029828.db2.gz AOLVIDJPXRJBGK-UHFFFAOYSA-N 0 3 345.407 2.453 20 5 EEBDHN Cc1cc(N(C)CCNC(=O)CN2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001100346784 1338289987 /nfs/dbraw/zinc/28/99/87/1338289987.db2.gz FVZLJAHXOZXMRJ-UHFFFAOYSA-N 0 3 348.447 2.188 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848352535 1338691137 /nfs/dbraw/zinc/69/11/37/1338691137.db2.gz QIYWJVDFORJHDO-ZIAGYGMSSA-N 0 3 336.367 2.063 20 5 EEBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001603223400 1350665448 /nfs/dbraw/zinc/66/54/48/1350665448.db2.gz LWOAJNVJZVESDT-HNNXBMFYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001603223400 1350665453 /nfs/dbraw/zinc/66/54/53/1350665453.db2.gz LWOAJNVJZVESDT-HNNXBMFYSA-N 0 3 345.407 2.307 20 5 EEBDHN CCC(CC)[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604027431 1350833402 /nfs/dbraw/zinc/83/34/02/1350833402.db2.gz FAHSNYJWJNUFPL-UHFFFAOYSA-N 0 3 333.396 2.273 20 5 EEBDHN CCC(CC)[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604027431 1350833409 /nfs/dbraw/zinc/83/34/09/1350833409.db2.gz FAHSNYJWJNUFPL-UHFFFAOYSA-N 0 3 333.396 2.273 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607084781 1351411955 /nfs/dbraw/zinc/41/19/55/1351411955.db2.gz YEKLNLJQPAPBPY-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001607084781 1351411958 /nfs/dbraw/zinc/41/19/58/1351411958.db2.gz YEKLNLJQPAPBPY-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607084781 1351411960 /nfs/dbraw/zinc/41/19/60/1351411960.db2.gz YEKLNLJQPAPBPY-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001607084781 1351411964 /nfs/dbraw/zinc/41/19/64/1351411964.db2.gz YEKLNLJQPAPBPY-LBPRGKRZSA-N 0 3 343.391 2.204 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823925475 1368095955 /nfs/dbraw/zinc/09/59/55/1368095955.db2.gz XZLBOXVNZIOCJY-QGZVFWFLSA-N 0 3 343.383 2.006 20 5 EEBDHN CCN(CCNC(=O)CN1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001100729514 1410703561 /nfs/dbraw/zinc/70/35/61/1410703561.db2.gz WPHHGPIAQOMVDM-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN COc1cc2ncnc(N3C[C@H](C)N(C)C[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164642508 719201736 /nfs/dbraw/zinc/20/17/36/719201736.db2.gz WAZMNJJEVHNCSB-QWRGUYRKSA-N 0 3 331.376 2.075 20 5 EEBDHN CN(C)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001091379617 790509967 /nfs/dbraw/zinc/50/99/67/790509967.db2.gz UWILPRJFQLULKW-OTVXOJSOSA-N 0 3 346.431 2.386 20 5 EEBDHN CCCn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001135711163 784281127 /nfs/dbraw/zinc/28/11/27/784281127.db2.gz FNHBFMNAGQVUMV-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN Cc1ccc(NC/C=C/CNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001107379654 787069644 /nfs/dbraw/zinc/06/96/44/787069644.db2.gz MTAYXBMSGGEUTI-SNAWJCMRSA-N 0 3 346.431 2.472 20 5 EEBDHN CC([C@@H](OC(=O)c1cc2n(n1)CCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845879339 789973070 /nfs/dbraw/zinc/97/30/70/789973070.db2.gz IRDLMXJQLLSLIP-ZUZCIYMTSA-N 0 3 349.318 2.368 20 5 EEBDHN CC([C@H](OC(=O)CC1OCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884562 789975045 /nfs/dbraw/zinc/97/50/45/789975045.db2.gz ZPGZYEUGMKIYFU-BONVTDFDSA-N 0 3 327.308 2.228 20 5 EEBDHN CC(C)(C)c1n[nH]cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147328078 791786089 /nfs/dbraw/zinc/78/60/89/791786089.db2.gz NKVCTZWGUGZCHN-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN CCN1C[C@@H]2C[C@H]1CN2[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194335 797282907 /nfs/dbraw/zinc/28/29/07/797282907.db2.gz SQWVSNRVLDEKIP-AGIUHOORSA-N 0 3 337.395 2.452 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001095233745 797565742 /nfs/dbraw/zinc/56/57/42/797565742.db2.gz OUCDHELZGPDTOQ-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC001106873791 797632513 /nfs/dbraw/zinc/63/25/13/797632513.db2.gz BXJNVUGJSVUAHS-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054382 803596509 /nfs/dbraw/zinc/59/65/09/803596509.db2.gz LPVMQKUDXSRIMZ-RAIGVLPGSA-N 0 3 343.225 2.338 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NCCOc1ccc3c(c1)OCO3)CNC2 ZINC001169930307 804215941 /nfs/dbraw/zinc/21/59/41/804215941.db2.gz HCMSFEGDQQFDSS-UHFFFAOYSA-N 0 3 343.339 2.418 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170354381 809903101 /nfs/dbraw/zinc/90/31/01/809903101.db2.gz KEUFPOIXEQSFLE-ZDUSSCGKSA-N 0 3 347.415 2.279 20 5 EEBDHN COc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccc1C ZINC001131037374 812314303 /nfs/dbraw/zinc/31/43/03/812314303.db2.gz RKNCJSLTWHZKCJ-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181932143 529395290 /nfs/dbraw/zinc/39/52/90/529395290.db2.gz FGANQTISTCPMGQ-QWHCGFSZSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000420468534 239830057 /nfs/dbraw/zinc/83/00/57/239830057.db2.gz OFGNBCMOJNFCQX-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000427930520 241498895 /nfs/dbraw/zinc/49/88/95/241498895.db2.gz JUKXRHVXYXFKEV-GFCCVEGCSA-N 0 3 329.422 2.007 20 5 EEBDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000226672061 242105901 /nfs/dbraw/zinc/10/59/01/242105901.db2.gz YFMZUQWCTUSOLK-MBNYWOFBSA-N 0 3 326.418 2.160 20 5 EEBDHN C[C@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCCN1C ZINC000447803875 242317063 /nfs/dbraw/zinc/31/70/63/242317063.db2.gz CGYJVQSENZEGOF-HOCLYGCPSA-N 0 3 348.447 2.322 20 5 EEBDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552210 243156944 /nfs/dbraw/zinc/15/69/44/243156944.db2.gz YKPULHQATLZVTB-IIAWOOMASA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451600816 243174071 /nfs/dbraw/zinc/17/40/71/243174071.db2.gz SWDQUYJYFHEAHV-SUMWQHHRSA-N 0 3 337.420 2.412 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747574 245234525 /nfs/dbraw/zinc/23/45/25/245234525.db2.gz GGHNCOAATVIMLC-CABCVRRESA-N 0 3 333.388 2.105 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000095415879 218354058 /nfs/dbraw/zinc/35/40/58/218354058.db2.gz IGEUTQAHWDOUSD-ZDUSSCGKSA-N 0 3 330.388 2.300 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273096900 256264861 /nfs/dbraw/zinc/26/48/61/256264861.db2.gz UUBOUAOSPIPOPW-IAGOWNOFSA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000273565927 256307375 /nfs/dbraw/zinc/30/73/75/256307375.db2.gz CNERUGZQECEHTG-AWEZNQCLSA-N 0 3 327.388 2.486 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970144 256342187 /nfs/dbraw/zinc/34/21/87/256342187.db2.gz HIQFIFOHLREZCJ-WOPDTQHZSA-N 0 3 337.376 2.099 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCCC[NH3+])cc1C ZINC000319772975 160535315 /nfs/dbraw/zinc/53/53/15/160535315.db2.gz ZELUMOWGOFMEBA-LBPRGKRZSA-N 0 3 329.422 2.007 20 5 EEBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083415958 159163836 /nfs/dbraw/zinc/16/38/36/159163836.db2.gz USBYQFUZXDKUNZ-CYBMUJFWSA-N 0 3 326.418 2.162 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CCCOC)CC1 ZINC000192558811 160172194 /nfs/dbraw/zinc/17/21/94/160172194.db2.gz DWDYWSVOHSYVLY-UHFFFAOYSA-N 0 3 325.413 2.032 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000247316038 160319706 /nfs/dbraw/zinc/31/97/06/160319706.db2.gz RSGNAHQXVGSABT-KBPBESRZSA-N 0 3 333.388 2.160 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000341966052 161027829 /nfs/dbraw/zinc/02/78/29/161027829.db2.gz XXKXRIIGZGNAEI-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000344750425 161242975 /nfs/dbraw/zinc/24/29/75/161242975.db2.gz VHQZPHJMDXNUFA-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000344900728 161254968 /nfs/dbraw/zinc/25/49/68/161254968.db2.gz YSZCMHNWUURHOW-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000345852250 161337513 /nfs/dbraw/zinc/33/75/13/161337513.db2.gz ANTWRKMSBGWCFI-GFCCVEGCSA-N 0 3 337.424 2.265 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](Oc2ccccc2)C1 ZINC000362466453 164686861 /nfs/dbraw/zinc/68/68/61/164686861.db2.gz OLOMJAXHEINZQQ-KRWDZBQOSA-N 0 3 343.383 2.300 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000369785349 166330254 /nfs/dbraw/zinc/33/02/54/166330254.db2.gz XCTGLMZJZSRMRR-CYBMUJFWSA-N 0 3 348.403 2.312 20 5 EEBDHN O=C(CCN1CCOCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375202915 167086916 /nfs/dbraw/zinc/08/69/16/167086916.db2.gz SQHQHHCORUDIJU-UHFFFAOYSA-N 0 3 333.388 2.426 20 5 EEBDHN COCCCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122778287 222157051 /nfs/dbraw/zinc/15/70/51/222157051.db2.gz RQAXIZIITQXSSD-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN COc1ccc(C)cc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000271641359 268845672 /nfs/dbraw/zinc/84/56/72/268845672.db2.gz HICVOLSGWFKLSI-ZDUSSCGKSA-N 0 3 331.372 2.424 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272670519 269006900 /nfs/dbraw/zinc/00/69/00/269006900.db2.gz SZJYTISOTHQRMD-YOEHRIQHSA-N 0 3 346.431 2.340 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279361749 269274029 /nfs/dbraw/zinc/27/40/29/269274029.db2.gz GECWEKVSGOFBLA-LLVKDONJSA-N 0 3 338.383 2.310 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277272939 274279511 /nfs/dbraw/zinc/27/95/11/274279511.db2.gz SBUHZXDOCKVNGU-ZDUSSCGKSA-N 0 3 336.392 2.217 20 5 EEBDHN Cn1cc([C@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126103 274435442 /nfs/dbraw/zinc/43/54/42/274435442.db2.gz QQAZKPGKPQXYNE-HZPDHXFCSA-N 0 3 330.388 2.374 20 5 EEBDHN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000342471411 274591575 /nfs/dbraw/zinc/59/15/75/274591575.db2.gz JCZCQFASHVOABE-ZFWWWQNUSA-N 0 3 336.411 2.196 20 5 EEBDHN CNC(=O)c1ccc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286461716 274874465 /nfs/dbraw/zinc/87/44/65/274874465.db2.gz VADXQWZCQCWJFT-JSGCOSHPSA-N 0 3 332.404 2.017 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286494810 274877902 /nfs/dbraw/zinc/87/79/02/274877902.db2.gz RQKZXPRTOTYGAJ-TZMCWYRMSA-N 0 3 348.403 2.230 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1N(C)C ZINC000347425415 278158221 /nfs/dbraw/zinc/15/82/21/278158221.db2.gz DKUKZYGVMBZDHD-CHWSQXEVSA-N 0 3 333.417 2.020 20 5 EEBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194532660 288310500 /nfs/dbraw/zinc/31/05/00/288310500.db2.gz QUWICSMAZFSXCI-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000348831740 289519190 /nfs/dbraw/zinc/51/91/90/289519190.db2.gz IQTFLSCNVJTDIT-MRVPVSSYSA-N 0 3 332.307 2.268 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913018 293076465 /nfs/dbraw/zinc/07/64/65/293076465.db2.gz LAAKNPFPQGVCDU-CMPLNLGQSA-N 0 3 336.310 2.494 20 5 EEBDHN O=C(CCN1CCC2(CC1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000293160046 293139961 /nfs/dbraw/zinc/13/99/61/293139961.db2.gz VNUCZCJTJBOYBQ-UHFFFAOYSA-N 0 3 349.387 2.152 20 5 EEBDHN Cc1nc(NCCc2ccc(OCCN(C)C)cc2)ncc1[N+](=O)[O-] ZINC000297304451 294207215 /nfs/dbraw/zinc/20/72/15/294207215.db2.gz YTIOQIBXDRESPJ-UHFFFAOYSA-N 0 3 345.403 2.288 20 5 EEBDHN C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000420643107 300294646 /nfs/dbraw/zinc/29/46/46/300294646.db2.gz VRAFEAHZZDILRR-GFCCVEGCSA-N 0 3 332.404 2.004 20 5 EEBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nc1 ZINC000425274644 314370820 /nfs/dbraw/zinc/37/08/20/314370820.db2.gz LNNRZJKNVYUYBP-GOEBONIOSA-N 0 3 325.372 2.096 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN(C[C@@H]4CCOC4)CC3)ccnc21 ZINC000432325519 314694444 /nfs/dbraw/zinc/69/44/44/314694444.db2.gz LEYHBDCMNSOCJH-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN CCO[C@H]1C[C@@](N)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121282 315274675 /nfs/dbraw/zinc/27/46/75/315274675.db2.gz HNZHJJQIUUXWCW-MAUKXSAKSA-N 0 3 347.415 2.012 20 5 EEBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C12CCCN1CCC2 ZINC000519574181 316790660 /nfs/dbraw/zinc/79/06/60/316790660.db2.gz WQWBXABTWFTROH-UHFFFAOYSA-N 0 3 342.399 2.363 20 5 EEBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC1 ZINC000535514711 317971476 /nfs/dbraw/zinc/97/14/76/317971476.db2.gz VEANADURFPTIDZ-LBPRGKRZSA-N 0 3 330.388 2.219 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000549824745 318442434 /nfs/dbraw/zinc/44/24/34/318442434.db2.gz LQQSJSZTWKLYGX-GFCCVEGCSA-N 0 3 337.767 2.004 20 5 EEBDHN N[C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580063233 323985122 /nfs/dbraw/zinc/98/51/22/323985122.db2.gz RNVYBMXRFJNIKC-INIZCTEOSA-N 0 3 327.384 2.214 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000114244450 462634128 /nfs/dbraw/zinc/63/41/28/462634128.db2.gz OHJWGKFSQFJHEO-CYBMUJFWSA-N 0 3 335.404 2.484 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOC2=O)cc1 ZINC000090538417 462796665 /nfs/dbraw/zinc/79/66/65/462796665.db2.gz FVCHGTHCCLZWBH-LBPRGKRZSA-N 0 3 345.359 2.099 20 5 EEBDHN CCC(CC)(CNCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000120851329 463046429 /nfs/dbraw/zinc/04/64/29/463046429.db2.gz UAVKTJCVKXBGMN-UHFFFAOYSA-N 0 3 337.376 2.102 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000120890824 463051193 /nfs/dbraw/zinc/05/11/93/463051193.db2.gz QHMNFCCQSRCVCB-ZFWWWQNUSA-N 0 3 334.420 2.195 20 5 EEBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C)C1 ZINC000068084453 463089582 /nfs/dbraw/zinc/08/95/82/463089582.db2.gz HEVFPKVBUFBUIW-NEPJUHHUSA-N 0 3 345.403 2.321 20 5 EEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000029587295 463263111 /nfs/dbraw/zinc/26/31/11/463263111.db2.gz LPMKGQLCDJYACV-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(CC2CCCCC2)CC1 ZINC000137295579 463288139 /nfs/dbraw/zinc/28/81/39/463288139.db2.gz LSIBOXHNKHVBEX-UHFFFAOYSA-N 0 3 335.408 2.046 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000033083694 463411622 /nfs/dbraw/zinc/41/16/22/463411622.db2.gz HDMGYOIFRRBPGK-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(c4ccncc4)CC3)nc2c1 ZINC000151156705 463485186 /nfs/dbraw/zinc/48/51/86/463485186.db2.gz OMSBGRGJXARHGI-UHFFFAOYSA-N 0 3 339.355 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCN(c3ccncc3)CC2)cc1 ZINC000151170968 463488030 /nfs/dbraw/zinc/48/80/30/463488030.db2.gz LTDXCAOHJDQGNB-UHFFFAOYSA-N 0 3 328.372 2.191 20 5 EEBDHN C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000178401194 463894150 /nfs/dbraw/zinc/89/41/50/463894150.db2.gz QBBRRUMWRJSLGJ-GFCCVEGCSA-N 0 3 325.368 2.268 20 5 EEBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cnn(C)c1 ZINC000195518845 464068725 /nfs/dbraw/zinc/06/87/25/464068725.db2.gz DIGLMNTXGZXHPJ-UHFFFAOYSA-N 0 3 345.403 2.487 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180006583 464222833 /nfs/dbraw/zinc/22/28/33/464222833.db2.gz BLWZAACGVYLZEU-NSHDSACASA-N 0 3 343.330 2.410 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443712 464313274 /nfs/dbraw/zinc/31/32/74/464313274.db2.gz VVTFKHUQKOLTLZ-VHSXEESVSA-N 0 3 347.462 2.345 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188745756 464359039 /nfs/dbraw/zinc/35/90/39/464359039.db2.gz IROPBGYDCWJOMW-PMGBHYCQSA-N 0 3 333.432 2.385 20 5 EEBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174819169 464454332 /nfs/dbraw/zinc/45/43/32/464454332.db2.gz GPJNOIJWELHARQ-OAHLLOKOSA-N 0 3 346.387 2.343 20 5 EEBDHN C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N(C)C1CC1 ZINC000294508371 464520651 /nfs/dbraw/zinc/52/06/51/464520651.db2.gz HKMVGENWQXJRJY-LLVKDONJSA-N 0 3 343.387 2.197 20 5 EEBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000294581235 464542975 /nfs/dbraw/zinc/54/29/75/464542975.db2.gz WKRBLOLWTMABBC-CYBMUJFWSA-N 0 3 349.416 2.073 20 5 EEBDHN CN1CCN(CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000265457922 464566917 /nfs/dbraw/zinc/56/69/17/464566917.db2.gz WGKIKSGVJVBXIS-UHFFFAOYSA-N 0 3 338.477 2.116 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2ccccc2)c1 ZINC000273870665 464726721 /nfs/dbraw/zinc/72/67/21/464726721.db2.gz QAQJLXZRBXXHCQ-IRXDYDNUSA-N 0 3 330.388 2.379 20 5 EEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249102301 464842395 /nfs/dbraw/zinc/84/23/95/464842395.db2.gz FHWAIKICZGWFIX-GOEBONIOSA-N 0 3 347.415 2.227 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177067097 464922032 /nfs/dbraw/zinc/92/20/32/464922032.db2.gz MBRCVYNWRXGXTM-STQMWFEESA-N 0 3 333.388 2.105 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000192456170 464928421 /nfs/dbraw/zinc/92/84/21/464928421.db2.gz DWKAJRZOCQOMPV-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CCc1n[nH]c(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192568261 464948449 /nfs/dbraw/zinc/94/84/49/464948449.db2.gz HSIWUZYEESWKCJ-UHFFFAOYSA-N 0 3 337.424 2.073 20 5 EEBDHN CCc1[nH]nc(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192568261 464948454 /nfs/dbraw/zinc/94/84/54/464948454.db2.gz HSIWUZYEESWKCJ-UHFFFAOYSA-N 0 3 337.424 2.073 20 5 EEBDHN CC[C@H](C)N[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000359547299 465446738 /nfs/dbraw/zinc/44/67/38/465446738.db2.gz RTYMJFGUFQRAFH-GXTWGEPZSA-N 0 3 349.391 2.020 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000339726252 465470901 /nfs/dbraw/zinc/47/09/01/465470901.db2.gz UCERNFLHJASQCO-MRXNPFEDSA-N 0 3 335.404 2.228 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360468003 465571505 /nfs/dbraw/zinc/57/15/05/465571505.db2.gz ILFLCRDOMULEHM-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN CN(C(=O)CN[C@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519081 465646912 /nfs/dbraw/zinc/64/69/12/465646912.db2.gz AEURLKGZPYGWKD-QWHCGFSZSA-N 0 3 343.330 2.308 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000299228836 465655798 /nfs/dbraw/zinc/65/57/98/465655798.db2.gz JDYSDOSUHQHCPX-NSHDSACASA-N 0 3 339.417 2.369 20 5 EEBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O ZINC000330706738 465770837 /nfs/dbraw/zinc/77/08/37/465770837.db2.gz LZHSFYIPEAVQST-JSGCOSHPSA-N 0 3 325.384 2.011 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000338053786 465784369 /nfs/dbraw/zinc/78/43/69/465784369.db2.gz XJEUHJSYNCRUQN-HIFRSBDPSA-N 0 3 334.420 2.261 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000338062122 465790898 /nfs/dbraw/zinc/79/08/98/465790898.db2.gz GEEPOXNVWICSNL-BBRMVZONSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000593993242 468453941 /nfs/dbraw/zinc/45/39/41/468453941.db2.gz FKEFZQYOZMWCCK-QLFBSQMISA-N 0 3 346.431 2.399 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181861 465968957 /nfs/dbraw/zinc/96/89/57/465968957.db2.gz BWZGCKUQZFFGSZ-SGMGOOAPSA-N 0 3 349.435 2.073 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181861 465968965 /nfs/dbraw/zinc/96/89/65/465968965.db2.gz BWZGCKUQZFFGSZ-SGMGOOAPSA-N 0 3 349.435 2.073 20 5 EEBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353560183 465978320 /nfs/dbraw/zinc/97/83/20/465978320.db2.gz NEUREOGINNVMKW-HNNXBMFYSA-N 0 3 329.404 2.035 20 5 EEBDHN C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000301903429 466056919 /nfs/dbraw/zinc/05/69/19/466056919.db2.gz XHAXACVGDPUYPP-NSHDSACASA-N 0 3 343.449 2.387 20 5 EEBDHN CCc1cc(N2CC(N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301911397 466058977 /nfs/dbraw/zinc/05/89/77/466058977.db2.gz SNVMARFHVGXXSW-UHFFFAOYSA-N 0 3 327.388 2.364 20 5 EEBDHN Cc1cc(NCc2ccccc2CN2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000302070260 466092122 /nfs/dbraw/zinc/09/21/22/466092122.db2.gz YCKJVZIPXKXWHU-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000357861586 466270343 /nfs/dbraw/zinc/27/03/43/466270343.db2.gz IQCHKWKBDRSLBD-IUODEOHRSA-N 0 3 345.403 2.058 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068749 466366484 /nfs/dbraw/zinc/36/64/84/466366484.db2.gz OPIXADIXPKXTEF-JSGCOSHPSA-N 0 3 328.372 2.488 20 5 EEBDHN CC(C)N(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000320033137 466602729 /nfs/dbraw/zinc/60/27/29/466602729.db2.gz XFOXNJKWJZNKCI-NSHDSACASA-N 0 3 329.422 2.139 20 5 EEBDHN CCc1ccccc1[C@H](N)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423973557 466933949 /nfs/dbraw/zinc/93/39/49/466933949.db2.gz JWNKMVVXNIFIIZ-QGZVFWFLSA-N 0 3 343.383 2.352 20 5 EEBDHN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1[C@H](C)CC[C@H]1C ZINC000365928624 466991590 /nfs/dbraw/zinc/99/15/90/466991590.db2.gz ORRHDWXCMRBCMG-MCIONIFRSA-N 0 3 349.435 2.216 20 5 EEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000433378030 467325081 /nfs/dbraw/zinc/32/50/81/467325081.db2.gz YAIRHZYKMAWVHB-BBRMVZONSA-N 0 3 343.387 2.083 20 5 EEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414123528 467379803 /nfs/dbraw/zinc/37/98/03/467379803.db2.gz BJTKKEVFDFMKFA-DFBGVHRSSA-N 0 3 326.418 2.393 20 5 EEBDHN CN(C[C@@H]1CCCN1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420633513 467438327 /nfs/dbraw/zinc/43/83/27/467438327.db2.gz JIORMGRSDYPOGK-AWEZNQCLSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000450814536 467912991 /nfs/dbraw/zinc/91/29/91/467912991.db2.gz VXSGDFAZPCCHQF-CQSZACIVSA-N 0 3 329.404 2.287 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000479584122 468003231 /nfs/dbraw/zinc/00/32/31/468003231.db2.gz CQNSWFDDTHSBNZ-GFCCVEGCSA-N 0 3 337.395 2.465 20 5 EEBDHN CNc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517366768 468082974 /nfs/dbraw/zinc/08/29/74/468082974.db2.gz ARSCLNONQBHOLC-ZDUSSCGKSA-N 0 3 332.404 2.383 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000558259783 468670793 /nfs/dbraw/zinc/67/07/93/468670793.db2.gz XFMBCNPOQMFFEW-STQMWFEESA-N 0 3 326.418 2.379 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000595046696 468748320 /nfs/dbraw/zinc/74/83/20/468748320.db2.gz NBDHJDIVGVUPKG-RYUDHWBXSA-N 0 3 333.388 2.265 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCCN(C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000601190093 468776253 /nfs/dbraw/zinc/77/62/53/468776253.db2.gz ZSSUCNLIKKQZLI-GFCCVEGCSA-N 0 3 336.392 2.087 20 5 EEBDHN C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000584111145 468802377 /nfs/dbraw/zinc/80/23/77/468802377.db2.gz NUFKHOJBOBYTKS-SUMWQHHRSA-N 0 3 343.383 2.426 20 5 EEBDHN O=C(CNC1(C2CCC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593082355 468863542 /nfs/dbraw/zinc/86/35/42/468863542.db2.gz VIFRJDXLHPPJBS-UHFFFAOYSA-N 0 3 333.344 2.184 20 5 EEBDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000593089999 468866892 /nfs/dbraw/zinc/86/68/92/468866892.db2.gz COQQWYKMOBHZFH-ZDUSSCGKSA-N 0 3 338.408 2.378 20 5 EEBDHN CC(C)n1cc(C2=CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000595520155 468887005 /nfs/dbraw/zinc/88/70/05/468887005.db2.gz YQRUAGLDOPJRFT-UHFFFAOYSA-N 0 3 345.407 2.143 20 5 EEBDHN CC(C)=CCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595544639 468895635 /nfs/dbraw/zinc/89/56/35/468895635.db2.gz BKSYUPDPPKYUAO-UHFFFAOYSA-N 0 3 341.433 2.161 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1 ZINC000598574518 468919245 /nfs/dbraw/zinc/91/92/45/468919245.db2.gz RHESLYBUTROFAE-MRXNPFEDSA-N 0 3 343.387 2.055 20 5 EEBDHN CCOc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000610515365 468991065 /nfs/dbraw/zinc/99/10/65/468991065.db2.gz OSUIOLDXUBLQHR-INIZCTEOSA-N 0 3 348.447 2.210 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610720675 469049484 /nfs/dbraw/zinc/04/94/84/469049484.db2.gz PBFIOTSGFNZYED-HNNXBMFYSA-N 0 3 334.420 2.311 20 5 EEBDHN O=[N+]([O-])c1cccc2c(NCCCN3CCC(O)CC3)ccnc21 ZINC000596085930 469148109 /nfs/dbraw/zinc/14/81/09/469148109.db2.gz PHQJGHSKVFZUAN-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN NC(=O)c1cc(N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596167894 469184043 /nfs/dbraw/zinc/18/40/43/469184043.db2.gz HYECOWVMCQIGSR-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN COC(=O)c1cnc(N[C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488481 469281904 /nfs/dbraw/zinc/28/19/04/469281904.db2.gz QAWLLTNNQPLWIA-GFCCVEGCSA-N 0 3 336.392 2.309 20 5 EEBDHN CNc1nc(C(=O)N(CCN(C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000455636136 536422589 /nfs/dbraw/zinc/42/25/89/536422589.db2.gz QXVXUCBPIQBPPP-UHFFFAOYSA-N 0 3 349.435 2.368 20 5 EEBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000731469570 577102432 /nfs/dbraw/zinc/10/24/32/577102432.db2.gz ZULHTBVFURSTLI-ZDUSSCGKSA-N 0 3 328.372 2.066 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCN2CCc3ccccc3C2)cc1 ZINC000776278161 577456558 /nfs/dbraw/zinc/45/65/58/577456558.db2.gz SIPGFESOFIJMDG-IBGZPJMESA-N 0 3 341.411 2.276 20 5 EEBDHN Cc1nn(CN2CCN(CC(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764859681 577489651 /nfs/dbraw/zinc/48/96/51/577489651.db2.gz LQQZRUVJNZNSAS-UHFFFAOYSA-N 0 3 331.420 2.484 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000754383994 577805574 /nfs/dbraw/zinc/80/55/74/577805574.db2.gz MCIDKJLWPFDKIW-GFCCVEGCSA-N 0 3 329.784 2.447 20 5 EEBDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539709 577808303 /nfs/dbraw/zinc/80/83/03/577808303.db2.gz LQHVKQCWTRCQTG-FZMZJTMJSA-N 0 3 349.387 2.162 20 5 EEBDHN Cc1nn(CN2CCN(C3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749941516 577984208 /nfs/dbraw/zinc/98/42/08/577984208.db2.gz QBBUDJWAZLUGAB-UHFFFAOYSA-N 0 3 344.419 2.166 20 5 EEBDHN C[C@H](CN1CCOCC1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000892580392 681848875 /nfs/dbraw/zinc/84/88/75/681848875.db2.gz HQEUQZDPVHPEKT-LLVKDONJSA-N 0 3 347.337 2.424 20 5 EEBDHN C[C@@H]1CCCN1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892713265 682827370 /nfs/dbraw/zinc/82/73/70/682827370.db2.gz DLPPABUQXYYSJR-GFCCVEGCSA-N 0 3 330.388 2.343 20 5 EEBDHN CC(=O)NCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154264 691940972 /nfs/dbraw/zinc/94/09/72/691940972.db2.gz JTTANBUQPLYWQW-UHFFFAOYSA-N 0 3 334.420 2.023 20 5 EEBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001034599095 1196427958 /nfs/dbraw/zinc/42/79/58/1196427958.db2.gz HQRMSGZZGDQMJA-JOCQHMNTSA-N 0 3 349.416 2.210 20 5 EEBDHN COc1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877346909 1199910049 /nfs/dbraw/zinc/91/00/49/1199910049.db2.gz VGROIIRHHBRFMQ-OAHLLOKOSA-N 0 3 341.367 2.048 20 5 EEBDHN CC(COC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813105636 1201098614 /nfs/dbraw/zinc/09/86/14/1201098614.db2.gz QVTCXODVWGWDCU-MRVPVSSYSA-N 0 3 344.249 2.108 20 5 EEBDHN COc1cccc([C@@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CCN2)c1 ZINC000879522753 1201119967 /nfs/dbraw/zinc/11/99/67/1201119967.db2.gz LVXDBNFJPFQMCM-AWEZNQCLSA-N 0 3 332.360 2.046 20 5 EEBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)[N+](=O)[O-] ZINC000813108310 1201120696 /nfs/dbraw/zinc/12/06/96/1201120696.db2.gz XKWYVXCZKRWFNF-SSDOTTSWSA-N 0 3 347.249 2.126 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095423651 1205734844 /nfs/dbraw/zinc/73/48/44/1205734844.db2.gz GRYMENKCVIIPJQ-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924899433 1206047996 /nfs/dbraw/zinc/04/79/96/1206047996.db2.gz FKKFDZBWNUPNOS-WFASDCNBSA-N 0 3 346.387 2.062 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112354043 1304483367 /nfs/dbraw/zinc/48/33/67/1304483367.db2.gz OXALGPCSUAIGHU-UHFFFAOYSA-N 0 3 349.435 2.125 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001120610647 1309641842 /nfs/dbraw/zinc/64/18/42/1309641842.db2.gz IRDGCUOEZYFJGT-OAHLLOKOSA-N 0 3 335.404 2.340 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCNC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986539 1310490721 /nfs/dbraw/zinc/49/07/21/1310490721.db2.gz FCANFKYGROWFGG-HZMBPMFUSA-N 0 3 347.337 2.371 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCNC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986571 1310490750 /nfs/dbraw/zinc/49/07/50/1310490750.db2.gz FCANFKYGROWFGG-IINYFYTJSA-N 0 3 347.337 2.371 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010847 1315453447 /nfs/dbraw/zinc/45/34/47/1315453447.db2.gz JHMDDOAAOHYWAU-KCJUWKMLSA-N 0 3 342.783 2.483 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCCC(C)(C)C ZINC001155702443 1317708079 /nfs/dbraw/zinc/70/80/79/1317708079.db2.gz XWDKHCUTVHBMCK-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(C4CC4)CC3)CC2)cc1 ZINC001254475144 1318082164 /nfs/dbraw/zinc/08/21/64/1318082164.db2.gz ATWMWVYSAKICOU-UHFFFAOYSA-N 0 3 330.432 2.344 20 5 EEBDHN COc1cc(N2CCC(N3C[C@H]4CC[C@@H](C3)O4)CC2)ccc1[N+](=O)[O-] ZINC001256093733 1318646127 /nfs/dbraw/zinc/64/61/27/1318646127.db2.gz POLFEMHUSMBWAK-IYBDPMFKSA-N 0 3 347.415 2.435 20 5 EEBDHN CC/C=C(/C)C(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163676737 1321189742 /nfs/dbraw/zinc/18/97/42/1321189742.db2.gz IYGOVMOIEAKGDZ-ACAGNQJTSA-N 0 3 349.435 2.061 20 5 EEBDHN O=C(CCc1ccccn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163820367 1321224899 /nfs/dbraw/zinc/22/48/99/1321224899.db2.gz KOPFRSVPXFXJSR-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN COC(=O)N1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001308750360 1331604530 /nfs/dbraw/zinc/60/45/30/1331604530.db2.gz IFUWTUBPMHDYOL-UHFFFAOYSA-N 0 3 348.359 2.304 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001318389286 1332521993 /nfs/dbraw/zinc/52/19/93/1332521993.db2.gz FBHSCBFBBICQMW-STQMWFEESA-N 0 3 341.433 2.054 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609212825 1351894543 /nfs/dbraw/zinc/89/45/43/1351894543.db2.gz OEPORSRVSLCSRD-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609212825 1351894546 /nfs/dbraw/zinc/89/45/46/1351894546.db2.gz OEPORSRVSLCSRD-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609212825 1351894548 /nfs/dbraw/zinc/89/45/48/1351894548.db2.gz OEPORSRVSLCSRD-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609212825 1351894551 /nfs/dbraw/zinc/89/45/51/1351894551.db2.gz OEPORSRVSLCSRD-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001336841711 1336603679 /nfs/dbraw/zinc/60/36/79/1336603679.db2.gz XZQLHAZZKKBDIS-VXGBXAGGSA-N 0 3 330.381 2.239 20 5 EEBDHN COC(=O)[C@H]1C[C@@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC001346534642 1337485943 /nfs/dbraw/zinc/48/59/43/1337485943.db2.gz FLCMRHQZOXCIOL-PUHVVEEASA-N 0 3 339.319 2.274 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CCN1 ZINC001576017474 1343946265 /nfs/dbraw/zinc/94/62/65/1343946265.db2.gz UKOFEUAJRQRAPK-DZGCQCFKSA-N 0 3 334.420 2.338 20 5 EEBDHN CC1(C)C[C@@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083911 1349145895 /nfs/dbraw/zinc/14/58/95/1349145895.db2.gz OCRRHEBKAQXIJS-CYBMUJFWSA-N 0 3 346.391 2.211 20 5 EEBDHN CC1(C)C[C@@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083911 1349145900 /nfs/dbraw/zinc/14/59/00/1349145900.db2.gz OCRRHEBKAQXIJS-CYBMUJFWSA-N 0 3 346.391 2.211 20 5 EEBDHN CC1(C)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590101115 1349156055 /nfs/dbraw/zinc/15/60/55/1349156055.db2.gz XKRSKJBXMORBDP-UHFFFAOYSA-N 0 3 348.432 2.492 20 5 EEBDHN CC1(C)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590101115 1349156061 /nfs/dbraw/zinc/15/60/61/1349156061.db2.gz XKRSKJBXMORBDP-UHFFFAOYSA-N 0 3 348.432 2.492 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258864 1349231929 /nfs/dbraw/zinc/23/19/29/1349231929.db2.gz DBAJFDMOISFYQF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258864 1349231937 /nfs/dbraw/zinc/23/19/37/1349231937.db2.gz DBAJFDMOISFYQF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258864 1349231941 /nfs/dbraw/zinc/23/19/41/1349231941.db2.gz DBAJFDMOISFYQF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258864 1349231946 /nfs/dbraw/zinc/23/19/46/1349231946.db2.gz DBAJFDMOISFYQF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN CCCN(C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091358310 790429194 /nfs/dbraw/zinc/42/91/94/790429194.db2.gz DRDDIVARXADVFO-OTVXOJSOSA-N 0 3 334.420 2.243 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1occ2c1CCC2 ZINC001131851319 783355506 /nfs/dbraw/zinc/35/55/06/783355506.db2.gz OQUKOKVZFNLRHJ-UHFFFAOYSA-N 0 3 329.356 2.196 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000823132522 787581542 /nfs/dbraw/zinc/58/15/42/787581542.db2.gz GAOOEIOFENZQRQ-QMMMGPOBSA-N 0 3 344.774 2.136 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ncccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845882287 789973879 /nfs/dbraw/zinc/97/38/79/789973879.db2.gz OEKLXECLQTXLFB-MEDUHNTESA-N 0 3 333.319 2.498 20 5 EEBDHN CN(C)C(=O)c1cccc(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000921721244 795611904 /nfs/dbraw/zinc/61/19/04/795611904.db2.gz HNOXTZTUKHBVCQ-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CN(CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001094784113 796577361 /nfs/dbraw/zinc/57/73/61/796577361.db2.gz JFWHFVQSRRMGMT-UHFFFAOYSA-N 0 3 336.436 2.491 20 5 EEBDHN CC(C)OCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001177393359 798917837 /nfs/dbraw/zinc/91/78/37/798917837.db2.gz NOWZSHUFLNWDDB-UHFFFAOYSA-N 0 3 343.449 2.457 20 5 EEBDHN CC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302773 529661127 /nfs/dbraw/zinc/66/11/27/529661127.db2.gz DUDOKAJXLRUGFQ-HIFRSBDPSA-N 0 3 345.403 2.388 20 5 EEBDHN COCCN1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179471407 233074810 /nfs/dbraw/zinc/07/48/10/233074810.db2.gz HGTJELKOKICNSG-UHFFFAOYSA-N 0 3 349.431 2.361 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCOCC3(CCOCC3)C2)cc1 ZINC000184073649 235299514 /nfs/dbraw/zinc/29/95/14/235299514.db2.gz LOAFXJFAEDBQNW-UHFFFAOYSA-N 0 3 336.388 2.103 20 5 EEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1C ZINC000191839220 239329635 /nfs/dbraw/zinc/32/96/35/239329635.db2.gz FXAFZBXUFIFDIK-ZDUSSCGKSA-N 0 3 335.404 2.326 20 5 EEBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000193262428 240082907 /nfs/dbraw/zinc/08/29/07/240082907.db2.gz PZVZCZWHQYWVOF-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000426848741 241346542 /nfs/dbraw/zinc/34/65/42/241346542.db2.gz ABAYWEBSCAQLNH-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479572 243129104 /nfs/dbraw/zinc/12/91/04/243129104.db2.gz NMTIGFZAQSWSOW-OIISXLGYSA-N 0 3 347.415 2.351 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499643 243136181 /nfs/dbraw/zinc/13/61/81/243136181.db2.gz MKBOMFLSJWVVNZ-KNXALSJPSA-N 0 3 335.404 2.491 20 5 EEBDHN CCO[C@@H]1COC[C@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451948941 243319826 /nfs/dbraw/zinc/31/98/26/243319826.db2.gz VOHULJOSSNEHQV-GDBMZVCRSA-N 0 3 347.371 2.186 20 5 EEBDHN CC[C@@H]1[C@H](C(=O)OCC(C)[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000497253018 247878075 /nfs/dbraw/zinc/87/80/75/247878075.db2.gz MGXQGZSFMMTBPV-QJPTWQEYSA-N 0 3 330.381 2.230 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000267448510 256060315 /nfs/dbraw/zinc/06/03/15/256060315.db2.gz LMTBGRKWCJMDAB-TZMCWYRMSA-N 0 3 336.417 2.441 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270362671 256127454 /nfs/dbraw/zinc/12/74/54/256127454.db2.gz HJOLLMOVJLFIIP-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912591 256186941 /nfs/dbraw/zinc/18/69/41/256186941.db2.gz SPZMHFAXCHDMOI-ABAIWWIYSA-N 0 3 340.383 2.356 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000271065048 256204117 /nfs/dbraw/zinc/20/41/17/256204117.db2.gz WUCFGHSPZYJSKQ-CYBMUJFWSA-N 0 3 335.404 2.162 20 5 EEBDHN CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271137609 256211488 /nfs/dbraw/zinc/21/14/88/256211488.db2.gz OICZDORUCKZKRP-GJZGRUSLSA-N 0 3 337.445 2.031 20 5 EEBDHN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272855234 256244111 /nfs/dbraw/zinc/24/41/11/256244111.db2.gz HTYWUMXUEHGYLX-NSHDSACASA-N 0 3 339.417 2.061 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCOC ZINC000131209043 292384765 /nfs/dbraw/zinc/38/47/65/292384765.db2.gz XYOSXDLWHGZJCX-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN CCN1CCC(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131400874 292387185 /nfs/dbraw/zinc/38/71/85/292387185.db2.gz BVWWVJBUZSVKAS-UHFFFAOYSA-N 0 3 337.445 2.429 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC000067269878 159009659 /nfs/dbraw/zinc/00/96/59/159009659.db2.gz NWJLPCHMDPVHGQ-LLVKDONJSA-N 0 3 338.383 2.166 20 5 EEBDHN CN(C[C@H]1CCCN1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670715 159224694 /nfs/dbraw/zinc/22/46/94/159224694.db2.gz NNYPKAHDERUBFE-SNVBAGLBSA-N 0 3 329.198 2.283 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000345318000 161291299 /nfs/dbraw/zinc/29/12/99/161291299.db2.gz LJSTYAPYKCNZCM-IINYFYTJSA-N 0 3 344.371 2.061 20 5 EEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854291 161337588 /nfs/dbraw/zinc/33/75/88/161337588.db2.gz MXFBCZGFNKVLSQ-RYUDHWBXSA-N 0 3 343.330 2.201 20 5 EEBDHN CCc1ccc([C@@H](NC[C@@H](O)CN(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551141 161381243 /nfs/dbraw/zinc/38/12/43/161381243.db2.gz HFXXKWFPJAIRRZ-QAPCUYQASA-N 0 3 347.415 2.352 20 5 EEBDHN C[C@@H](CO)N1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000346693221 161392554 /nfs/dbraw/zinc/39/25/54/161392554.db2.gz LNEAMUPZJAXXCS-LBPRGKRZSA-N 0 3 327.812 2.137 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352363396 162105942 /nfs/dbraw/zinc/10/59/42/162105942.db2.gz XSAAAQIHYYGTAI-UHFFFAOYSA-N 0 3 343.330 2.364 20 5 EEBDHN CCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352509754 162164699 /nfs/dbraw/zinc/16/46/99/162164699.db2.gz HCCQRZNQAJTGJX-CYBMUJFWSA-N 0 3 341.433 2.056 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352592868 162203732 /nfs/dbraw/zinc/20/37/32/162203732.db2.gz KDQWHGYMFNSOLW-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN COc1c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981481 163040174 /nfs/dbraw/zinc/04/01/74/163040174.db2.gz OHXVIBUUCPFECT-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000355429112 163185858 /nfs/dbraw/zinc/18/58/58/163185858.db2.gz YUSBIHAHTYTLGP-CYBMUJFWSA-N 0 3 340.445 2.473 20 5 EEBDHN CSC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000355465793 163198880 /nfs/dbraw/zinc/19/88/80/163198880.db2.gz HZIIAPXJHAAZGV-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN COC(=O)COc1ccc(CN2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000355730795 163284552 /nfs/dbraw/zinc/28/45/52/163284552.db2.gz HCXRXUOLKLFXRE-CQSZACIVSA-N 0 3 334.372 2.379 20 5 EEBDHN COC(=O)COc1ccc(CN2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000355730794 163284621 /nfs/dbraw/zinc/28/46/21/163284621.db2.gz HCXRXUOLKLFXRE-AWEZNQCLSA-N 0 3 334.372 2.379 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000124207899 222392013 /nfs/dbraw/zinc/39/20/13/222392013.db2.gz BYWDXGUHCUHTCC-AAEUAGOBSA-N 0 3 342.399 2.360 20 5 EEBDHN COCCCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000275508496 269120189 /nfs/dbraw/zinc/12/01/89/269120189.db2.gz SEIVYWFFYLGOCB-UHFFFAOYSA-N 0 3 349.387 2.123 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894461 274119072 /nfs/dbraw/zinc/11/90/72/274119072.db2.gz CFRDROMBARUZHS-KSYCFECVSA-N 0 3 345.399 2.469 20 5 EEBDHN COc1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608203 274144977 /nfs/dbraw/zinc/14/49/77/274144977.db2.gz JOKYADRICMCGNK-TZMCWYRMSA-N 0 3 329.397 2.224 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000105790510 274271308 /nfs/dbraw/zinc/27/13/08/274271308.db2.gz QTBCGCZMFNVABI-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000277477158 274296726 /nfs/dbraw/zinc/29/67/26/274296726.db2.gz PIXSHMAKCDGOAK-MRXNPFEDSA-N 0 3 332.404 2.411 20 5 EEBDHN Cc1c([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C ZINC000189441128 274665893 /nfs/dbraw/zinc/66/58/93/274665893.db2.gz AELFRLIGZPBWHN-JTQLQIEISA-N 0 3 349.366 2.455 20 5 EEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000286504139 274878740 /nfs/dbraw/zinc/87/87/40/274878740.db2.gz ULIAXWLRHGKFPD-HOTGVXAUSA-N 0 3 347.415 2.229 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453577 275059962 /nfs/dbraw/zinc/05/99/62/275059962.db2.gz PPDWDDZZDZBRAC-CMPLNLGQSA-N 0 3 336.367 2.015 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCN2CCCOCC2)c1 ZINC000289479076 275119731 /nfs/dbraw/zinc/11/97/31/275119731.db2.gz QFXBLNRTGBIFHE-UHFFFAOYSA-N 0 3 345.346 2.008 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290277609 275194371 /nfs/dbraw/zinc/19/43/71/275194371.db2.gz LZKXYIZQHXNZLH-CYBMUJFWSA-N 0 3 328.434 2.329 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291774933 275339023 /nfs/dbraw/zinc/33/90/23/275339023.db2.gz LWZMTTWUKRJTAX-CYBMUJFWSA-N 0 3 332.360 2.126 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](N)c1ccccc1 ZINC000237436508 279223911 /nfs/dbraw/zinc/22/39/11/279223911.db2.gz OHCTYJWHCAGOAX-SUMWQHHRSA-N 0 3 342.399 2.459 20 5 EEBDHN CCc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270606214 281399784 /nfs/dbraw/zinc/39/97/84/281399784.db2.gz DSCUSRRNDDDALE-GJZGRUSLSA-N 0 3 337.445 2.275 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913026 293076245 /nfs/dbraw/zinc/07/62/45/293076245.db2.gz LAAKNPFPQGVCDU-ZYHUDNBSSA-N 0 3 336.310 2.494 20 5 EEBDHN CSc1cccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000346304878 312272381 /nfs/dbraw/zinc/27/23/81/312272381.db2.gz YQGDXFCGLFQDFE-MRXNPFEDSA-N 0 3 335.429 2.485 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CSC[C@H]1C ZINC000507272159 316376915 /nfs/dbraw/zinc/37/69/15/316376915.db2.gz KEMZERREXPUCKE-GBIKHYSHSA-N 0 3 339.417 2.272 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000540908451 318082670 /nfs/dbraw/zinc/08/26/70/318082670.db2.gz UFUOZRNNIJHKMV-SNVBAGLBSA-N 0 3 343.330 2.268 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000542910175 318147345 /nfs/dbraw/zinc/14/73/45/318147345.db2.gz PPRSPXOQKZFXBE-INIZCTEOSA-N 0 3 335.404 2.373 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792214 319110168 /nfs/dbraw/zinc/11/01/68/319110168.db2.gz CXWZZDMRXHCJFA-YEWDVWPNSA-N 0 3 344.367 2.446 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000581702051 324304619 /nfs/dbraw/zinc/30/46/19/324304619.db2.gz NOYDWVGWNLVJGW-LLVKDONJSA-N 0 3 338.383 2.006 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000583853404 324745152 /nfs/dbraw/zinc/74/51/52/324745152.db2.gz NZJCJMXYTXBTDQ-WQVCFCJDSA-N 0 3 333.388 2.245 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CC(F)(F)F ZINC000358348711 465073334 /nfs/dbraw/zinc/07/33/34/465073334.db2.gz CXYKSKARBKJFKY-MWLCHTKSSA-N 0 3 349.309 2.215 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351509509 465192744 /nfs/dbraw/zinc/19/27/44/465192744.db2.gz BDKBHBMYXWVKOZ-UHFFFAOYSA-N 0 3 336.392 2.169 20 5 EEBDHN Cc1ccccc1OCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511195 462795266 /nfs/dbraw/zinc/79/52/66/462795266.db2.gz ATKOMRYJSLNWFW-UHFFFAOYSA-N 0 3 331.372 2.076 20 5 EEBDHN COc1cc(C)c([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090539802 462795935 /nfs/dbraw/zinc/79/59/35/462795935.db2.gz JTYNGTBEIAROPL-LBPRGKRZSA-N 0 3 334.376 2.468 20 5 EEBDHN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090525803 462796178 /nfs/dbraw/zinc/79/61/78/462796178.db2.gz LXSLRZOAFXFYML-UHFFFAOYSA-N 0 3 331.372 2.206 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000077965626 463075776 /nfs/dbraw/zinc/07/57/76/463075776.db2.gz QVWZWSKLEDFGEX-GFCCVEGCSA-N 0 3 334.376 2.063 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157323772 463120043 /nfs/dbraw/zinc/12/00/43/463120043.db2.gz NYSWTIROMMZDQL-CZUORRHYSA-N 0 3 335.379 2.219 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000069000819 463197159 /nfs/dbraw/zinc/19/71/59/463197159.db2.gz YPFWMJBSGCSJDY-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000150292808 463412314 /nfs/dbraw/zinc/41/23/14/463412314.db2.gz NEOLTOZHDUHDOP-SECBINFHSA-N 0 3 335.813 2.044 20 5 EEBDHN O=C(CCNCc1cnc2n1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000579465786 468362649 /nfs/dbraw/zinc/36/26/49/468362649.db2.gz KNSQCGGMXNFFDD-UHFFFAOYSA-N 0 3 343.387 2.246 20 5 EEBDHN CC(C)(C)[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000109331943 463639860 /nfs/dbraw/zinc/63/98/60/463639860.db2.gz HQBWCZWOUZWLPJ-OAHLLOKOSA-N 0 3 346.387 2.282 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000152528323 463700704 /nfs/dbraw/zinc/70/07/04/463700704.db2.gz NRVBGLLPOSIZPI-CQSZACIVSA-N 0 3 337.420 2.366 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846966 463722897 /nfs/dbraw/zinc/72/28/97/463722897.db2.gz BDJRSKYCFZUOJW-CJNGLKHVSA-N 0 3 346.431 2.261 20 5 EEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276912956 463804198 /nfs/dbraw/zinc/80/41/98/463804198.db2.gz FZFUABNUTADLSY-GOEBONIOSA-N 0 3 333.388 2.031 20 5 EEBDHN Cc1cc(N2CC[C@@H](C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000276974254 463827407 /nfs/dbraw/zinc/82/74/07/463827407.db2.gz GFLFOHRWBAPKSL-GFCCVEGCSA-N 0 3 349.412 2.465 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000287565593 463929329 /nfs/dbraw/zinc/92/93/29/463929329.db2.gz QJNJJVNGMBWIAO-TZMCWYRMSA-N 0 3 343.387 2.101 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179765709 464183791 /nfs/dbraw/zinc/18/37/91/464183791.db2.gz RHLOXXNLZXDQGC-KRWDZBQOSA-N 0 3 344.371 2.303 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000284424839 464186313 /nfs/dbraw/zinc/18/63/13/464186313.db2.gz OXTRISZEABWKPL-NEPJUHHUSA-N 0 3 333.388 2.349 20 5 EEBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236947663 464242777 /nfs/dbraw/zinc/24/27/77/464242777.db2.gz WLQRCGLAMJTNOQ-MLGOLLRUSA-N 0 3 335.404 2.338 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280885589 464264287 /nfs/dbraw/zinc/26/42/87/464264287.db2.gz UOYZZHOYUOUMRT-CQSZACIVSA-N 0 3 335.404 2.271 20 5 EEBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000281397891 464438566 /nfs/dbraw/zinc/43/85/66/464438566.db2.gz XISNMTPKNBCKCG-QGZVFWFLSA-N 0 3 336.388 2.387 20 5 EEBDHN Cc1cc(OCC(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000281453527 464459830 /nfs/dbraw/zinc/45/98/30/464459830.db2.gz REGATBKFMNRBJM-CQSZACIVSA-N 0 3 335.404 2.082 20 5 EEBDHN C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCN(C)CC1 ZINC000264798751 464470415 /nfs/dbraw/zinc/47/04/15/464470415.db2.gz CAFAVRBBAXSHQY-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CCN(CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294474547 464511428 /nfs/dbraw/zinc/51/14/28/464511428.db2.gz FMCNFHXQWNKODE-UHFFFAOYSA-N 0 3 333.388 2.158 20 5 EEBDHN CCN1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294515766 464523109 /nfs/dbraw/zinc/52/31/09/464523109.db2.gz STIZIOPISICRKD-UHFFFAOYSA-N 0 3 343.387 2.199 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000245921182 464526910 /nfs/dbraw/zinc/52/69/10/464526910.db2.gz GZJBTFZASCCWHC-GOEBONIOSA-N 0 3 332.404 2.221 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272459754 464620761 /nfs/dbraw/zinc/62/07/61/464620761.db2.gz DGHOARCSRGUNFZ-ZDUSSCGKSA-N 0 3 327.331 2.239 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272498678 464633785 /nfs/dbraw/zinc/63/37/85/464633785.db2.gz NRLAFAVUILHAJP-PXAZEXFGSA-N 0 3 342.399 2.171 20 5 EEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285692140 464661278 /nfs/dbraw/zinc/66/12/78/464661278.db2.gz GYRXNXQODHPCGX-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN CN(C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000265918581 464733857 /nfs/dbraw/zinc/73/38/57/464733857.db2.gz KLQCDUNIMUSRFD-UHFFFAOYSA-N 0 3 345.424 2.485 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000190890037 464741472 /nfs/dbraw/zinc/74/14/72/464741472.db2.gz XWECFBFDMJUPJT-UHFFFAOYSA-N 0 3 348.363 2.006 20 5 EEBDHN CN(Cc1cc2ccccc2o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266954935 464884313 /nfs/dbraw/zinc/88/43/13/464884313.db2.gz VPZNMLCPHMNXQI-AWEZNQCLSA-N 0 3 330.344 2.030 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000347935195 465319348 /nfs/dbraw/zinc/31/93/48/465319348.db2.gz ZVJDSFGTFNZRTH-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344640106 465742506 /nfs/dbraw/zinc/74/25/06/465742506.db2.gz IDNAWLBRIGXNEY-AWEZNQCLSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C(=O)CN1CCC[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348921096 465874000 /nfs/dbraw/zinc/87/40/00/465874000.db2.gz QMXWCZDQOVTEIB-KRWDZBQOSA-N 0 3 347.415 2.449 20 5 EEBDHN CC[C@H](N[C@@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711655 465962811 /nfs/dbraw/zinc/96/28/11/465962811.db2.gz MMXLXMKWPNBDGL-BBWFWOEESA-N 0 3 338.404 2.456 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346238251 466016925 /nfs/dbraw/zinc/01/69/25/466016925.db2.gz OHVSMRRZPMZZBH-WOSRLPQWSA-N 0 3 347.415 2.406 20 5 EEBDHN O=C([C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331370028 466050376 /nfs/dbraw/zinc/05/03/76/466050376.db2.gz HXVISTCYKMMZAL-HNNXBMFYSA-N 0 3 347.415 2.308 20 5 EEBDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451363 466089477 /nfs/dbraw/zinc/08/94/77/466089477.db2.gz ZEHDOOYXWHVFJN-MMPTUQATSA-N 0 3 335.379 2.436 20 5 EEBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202880 466188857 /nfs/dbraw/zinc/18/88/57/466188857.db2.gz ZUJDZHIMZGATPR-WBVHZDCISA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332056372 466364446 /nfs/dbraw/zinc/36/44/46/466364446.db2.gz OSKJFJSMLWMXSI-BBRMVZONSA-N 0 3 332.404 2.139 20 5 EEBDHN CN1CCC2(CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372433817 466379653 /nfs/dbraw/zinc/37/96/53/466379653.db2.gz PXDVZKLXPIQBTK-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000368521313 466658081 /nfs/dbraw/zinc/65/80/81/466658081.db2.gz DPKLDSDQULIBOP-HNNXBMFYSA-N 0 3 349.431 2.148 20 5 EEBDHN Cc1cccc(NC[C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000365843981 466959487 /nfs/dbraw/zinc/95/94/87/466959487.db2.gz SBOBUBRLDYLKFL-AWEZNQCLSA-N 0 3 330.392 2.071 20 5 EEBDHN CC(C)Oc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412379566 467077539 /nfs/dbraw/zinc/07/75/39/467077539.db2.gz OSLJTDXWHCILOR-DZGCQCFKSA-N 0 3 333.388 2.158 20 5 EEBDHN C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000432313344 467230774 /nfs/dbraw/zinc/23/07/74/467230774.db2.gz NCQRBNZZMTXCEP-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000452123150 467332179 /nfs/dbraw/zinc/33/21/79/467332179.db2.gz VBSUWBPZKSAHSD-OAHLLOKOSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000449144677 467620510 /nfs/dbraw/zinc/62/05/10/467620510.db2.gz JNENLGHOFPKMIS-PWSUYJOCSA-N 0 3 345.321 2.279 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCCC1 ZINC000449321199 467630823 /nfs/dbraw/zinc/63/08/23/467630823.db2.gz LESTYFRZTUSJAI-CYBMUJFWSA-N 0 3 340.445 2.473 20 5 EEBDHN CC[C@@H]1CN(CC)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449565746 467662854 /nfs/dbraw/zinc/66/28/54/467662854.db2.gz KQDBIKIQRHXKBE-OAHLLOKOSA-N 0 3 335.404 2.377 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000449994396 467758664 /nfs/dbraw/zinc/75/86/64/467758664.db2.gz HGHARYDFJIEVKJ-WCQYABFASA-N 0 3 343.387 2.197 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493025822 467822510 /nfs/dbraw/zinc/82/25/10/467822510.db2.gz PCVJZUGIJNIASX-GQCTYLIASA-N 0 3 347.350 2.144 20 5 EEBDHN Cc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000578521805 468212923 /nfs/dbraw/zinc/21/29/23/468212923.db2.gz MOLOAEKWFASXBT-UHFFFAOYSA-N 0 3 338.385 2.102 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594212100 468514447 /nfs/dbraw/zinc/51/44/47/468514447.db2.gz SLPRQSBTQPRKHW-HOTGVXAUSA-N 0 3 332.404 2.411 20 5 EEBDHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700570 468644244 /nfs/dbraw/zinc/64/42/44/468644244.db2.gz NQJSBYJGLLQKMF-IUODEOHRSA-N 0 3 333.388 2.109 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCN1CCCO ZINC000595041351 468748141 /nfs/dbraw/zinc/74/81/41/468748141.db2.gz KLFFUSKTASNWMX-DZGCQCFKSA-N 0 3 337.420 2.101 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCN(CCCO)C1 ZINC000595043253 468748279 /nfs/dbraw/zinc/74/82/79/468748279.db2.gz VOQZWXVPPLSEDJ-KGLIPLIRSA-N 0 3 337.420 2.101 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc[nH]c1=O ZINC000599084503 469111457 /nfs/dbraw/zinc/11/14/57/469111457.db2.gz SNILSWIOBCTHKD-LLVKDONJSA-N 0 3 330.344 2.202 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090500 469150910 /nfs/dbraw/zinc/15/09/10/469150910.db2.gz WKXAAOJGINYJMD-OCCSQVGLSA-N 0 3 327.388 2.819 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611274775 469218092 /nfs/dbraw/zinc/21/80/92/469218092.db2.gz GABUIIPTAPJLLH-CHWSQXEVSA-N 0 3 334.372 2.224 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000616014438 469354192 /nfs/dbraw/zinc/35/41/92/469354192.db2.gz VISAUQUPSWOEFL-RDJZCZTQSA-N 0 3 337.395 2.467 20 5 EEBDHN CC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000616866236 469526307 /nfs/dbraw/zinc/52/63/07/469526307.db2.gz ZLQJSIKRTYCMBT-CQSZACIVSA-N 0 3 327.768 2.345 20 5 EEBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000608906276 469885517 /nfs/dbraw/zinc/88/55/17/469885517.db2.gz VVWPDAUGZLEADF-CYBMUJFWSA-N 0 3 328.372 2.386 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCN(CC2CC2)C1 ZINC000609383476 469923813 /nfs/dbraw/zinc/92/38/13/469923813.db2.gz PIWFCXUBTSZGOK-HNNXBMFYSA-N 0 3 342.399 2.150 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594204672 485602903 /nfs/dbraw/zinc/60/29/03/485602903.db2.gz WMXKGKQVJHIPQQ-LSDHHAIUSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000181065105 534030278 /nfs/dbraw/zinc/03/02/78/534030278.db2.gz DFGGERNSNGMZMF-ZDUSSCGKSA-N 0 3 342.399 2.427 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419100 535987414 /nfs/dbraw/zinc/98/74/14/535987414.db2.gz NDXGFZIPFASGCD-BBWFWOEESA-N 0 3 347.415 2.183 20 5 EEBDHN Cc1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733157821 577205550 /nfs/dbraw/zinc/20/55/50/577205550.db2.gz GCXXAGPYDZMDMX-OAHLLOKOSA-N 0 3 347.415 2.276 20 5 EEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000770222268 577592594 /nfs/dbraw/zinc/59/25/94/577592594.db2.gz NIDZECZNPLWQCJ-UHFFFAOYSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000742242567 577869891 /nfs/dbraw/zinc/86/98/91/577869891.db2.gz YFFRJJAOLWUTFB-AWEZNQCLSA-N 0 3 346.431 2.409 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN(C[C@H]4CCOC4)CC3)sc2c1 ZINC000750029075 577985924 /nfs/dbraw/zinc/98/59/24/577985924.db2.gz FAROAJDDWVDVEM-GFCCVEGCSA-N 0 3 348.428 2.363 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000810315570 1199448885 /nfs/dbraw/zinc/44/88/85/1199448885.db2.gz BVAGSSSEVOTAQF-GJZGRUSLSA-N 0 3 348.403 2.142 20 5 EEBDHN CC(COC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813101915 1201096295 /nfs/dbraw/zinc/09/62/95/1201096295.db2.gz LHPAJMWNOPDECD-SECBINFHSA-N 0 3 349.792 2.101 20 5 EEBDHN O=[N+]([O-])c1cnn(CCNCc2ccccc2OCC(F)F)c1 ZINC000886025576 1202464010 /nfs/dbraw/zinc/46/40/10/1202464010.db2.gz HPOIFDQNCCWYFL-UHFFFAOYSA-N 0 3 326.303 2.225 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932382247 1207594483 /nfs/dbraw/zinc/59/44/83/1207594483.db2.gz IAPJQPAEVQUZDQ-KDOFPFPSSA-N 0 3 343.383 2.470 20 5 EEBDHN CCc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001017544649 1227507741 /nfs/dbraw/zinc/50/77/41/1227507741.db2.gz XWXCYSOEFNJFJZ-XMTFNYHQSA-N 0 3 343.427 2.089 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097038357 1243604908 /nfs/dbraw/zinc/60/49/08/1243604908.db2.gz XTBLUFSPYKDRTG-HAQNSBGRSA-N 0 3 338.383 2.133 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097029969 1243637975 /nfs/dbraw/zinc/63/79/75/1243637975.db2.gz NSKPOPPTYDTXFA-HAQNSBGRSA-N 0 3 338.383 2.135 20 5 EEBDHN Nc1ccc2n(C(=O)[C@@H]3CCNC[C@H]3F)c3ccccc3cc-2c1=O ZINC001219256722 1297966005 /nfs/dbraw/zinc/96/60/05/1297966005.db2.gz XKHDDQROWIGFSC-TZMCWYRMSA-N 0 3 339.370 2.276 20 5 EEBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)c(Cl)cc2[n-]1 ZINC001227271346 1301758534 /nfs/dbraw/zinc/75/85/34/1301758534.db2.gz KPOJCIKBWFZPIG-MRVPVSSYSA-N 0 3 347.222 2.232 20 5 EEBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784722025 1304534360 /nfs/dbraw/zinc/53/43/60/1304534360.db2.gz VHJSGBVZILKDHG-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN N[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1(F)F ZINC001246579608 1310348095 /nfs/dbraw/zinc/34/80/95/1310348095.db2.gz CJMBNLHPRXUCBN-OAHLLOKOSA-N 0 3 340.374 2.232 20 5 EEBDHN CC(C)(CO)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108258 1315844667 /nfs/dbraw/zinc/84/46/67/1315844667.db2.gz NWQIHUDYVCJUMN-DLBZAZTESA-N 0 3 345.399 2.373 20 5 EEBDHN CCOCCCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153037375 1316764592 /nfs/dbraw/zinc/76/45/92/1316764592.db2.gz NHWIZOSVNOSZMC-UHFFFAOYSA-N 0 3 337.420 2.398 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1 ZINC001153401957 1316822683 /nfs/dbraw/zinc/82/26/83/1316822683.db2.gz FKEKXKJDNJTWHM-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(Cl)c[nH]1 ZINC001154567345 1317208460 /nfs/dbraw/zinc/20/84/60/1317208460.db2.gz PTMNVYPNDGUGEU-UHFFFAOYSA-N 0 3 336.779 2.486 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCC(C)(C)O)CC1 ZINC001254569084 1318124549 /nfs/dbraw/zinc/12/45/49/1318124549.db2.gz HPSFUVQILXGVMC-HNNXBMFYSA-N 0 3 335.448 2.304 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001254610290 1318143811 /nfs/dbraw/zinc/14/38/11/1318143811.db2.gz JHYMWHSBDNGTFE-CVEARBPZSA-N 0 3 344.346 2.144 20 5 EEBDHN COc1ncnc(N(C2CCCC2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158488341 1319267414 /nfs/dbraw/zinc/26/74/14/1319267414.db2.gz UGFPONBCCJSYBB-UHFFFAOYSA-N 0 3 335.408 2.237 20 5 EEBDHN O=C(CCc1cccnc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001161931766 1320681999 /nfs/dbraw/zinc/68/19/99/1320681999.db2.gz RCTOWOQDIYRXNT-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001163653351 1321182145 /nfs/dbraw/zinc/18/21/45/1321182145.db2.gz JETCTXAVQAGVHU-DOTOQJQBSA-N 0 3 349.387 2.095 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001261550984 1322129528 /nfs/dbraw/zinc/12/95/28/1322129528.db2.gz SUZKYQSCNONKQM-HOTGVXAUSA-N 0 3 332.404 2.383 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100203873 1338157366 /nfs/dbraw/zinc/15/73/66/1338157366.db2.gz KCZUGPWCOHSBSR-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCNC2(CCCCC2)C1 ZINC000848942142 1338809424 /nfs/dbraw/zinc/80/94/24/1338809424.db2.gz XVTPJHXDASGLOG-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592032764 1349585877 /nfs/dbraw/zinc/58/58/77/1349585877.db2.gz FELDKVLBAAXFBT-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592032764 1349585879 /nfs/dbraw/zinc/58/58/79/1349585879.db2.gz FELDKVLBAAXFBT-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN C[C@@H]1CCSCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603910488 1350799948 /nfs/dbraw/zinc/79/99/48/1350799948.db2.gz OXMWMBALYXNVDI-SNVBAGLBSA-N 0 3 334.405 2.102 20 5 EEBDHN C[C@@H]1CCSCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603910488 1350799946 /nfs/dbraw/zinc/79/99/46/1350799946.db2.gz OXMWMBALYXNVDI-SNVBAGLBSA-N 0 3 334.405 2.102 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001121699394 1371916056 /nfs/dbraw/zinc/91/60/56/1371916056.db2.gz JWAMDXQAPMDJNW-NEPJUHHUSA-N 0 3 348.407 2.385 20 5 EEBDHN Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351982 1373140869 /nfs/dbraw/zinc/14/08/69/1373140869.db2.gz IWGAJQOSAYFBMG-ZIAGYGMSSA-N 0 3 332.404 2.232 20 5 EEBDHN COc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1F ZINC001135643829 784150219 /nfs/dbraw/zinc/15/02/19/784150219.db2.gz ZMOGJHRYEUDOMX-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN COc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000820669892 786011460 /nfs/dbraw/zinc/01/14/60/786011460.db2.gz CAAOWVMQTHDGRM-AWEZNQCLSA-N 0 3 335.404 2.070 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107231250 786531902 /nfs/dbraw/zinc/53/19/02/786531902.db2.gz BCSLVRDHDPRYDO-PLNGDYQASA-N 0 3 338.383 2.158 20 5 EEBDHN Cc1ccc(F)c(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001148528834 792548917 /nfs/dbraw/zinc/54/89/17/792548917.db2.gz IRLHECVWURZZMD-UHFFFAOYSA-N 0 3 345.374 2.491 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCc3nccn3CC2)c1F ZINC001173195264 797283329 /nfs/dbraw/zinc/28/33/29/797283329.db2.gz DOKYGWARNCUHQQ-LBPRGKRZSA-N 0 3 348.378 2.428 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001095241580 797578727 /nfs/dbraw/zinc/57/87/27/797578727.db2.gz LBERMKYCYXOYFA-UHFFFAOYSA-N 0 3 349.435 2.123 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000917015244 798021618 /nfs/dbraw/zinc/02/16/18/798021618.db2.gz OJXZBNKWCMNANI-ZDUSSCGKSA-N 0 3 337.763 2.173 20 5 EEBDHN CS(=O)(=O)c1ccccc1CCNCc1csc([N+](=O)[O-])c1 ZINC000922676350 801656085 /nfs/dbraw/zinc/65/60/85/801656085.db2.gz GXQPNZPGZIVPAX-UHFFFAOYSA-N 0 3 340.426 2.392 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])ccn1 ZINC001168883485 803500192 /nfs/dbraw/zinc/50/01/92/803500192.db2.gz QRNRBSDBYPRAFU-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H](CO)Cc1ccccc1)CNC2 ZINC001169904526 804193367 /nfs/dbraw/zinc/19/33/67/804193367.db2.gz ONTCEWCCWRPWBV-CQSZACIVSA-N 0 3 327.384 2.461 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1F ZINC001129916136 811029600 /nfs/dbraw/zinc/02/96/00/811029600.db2.gz ZAUJTARATTXXNI-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000066187903 215021403 /nfs/dbraw/zinc/02/14/03/215021403.db2.gz YRMGATYOQMURBV-MRXNPFEDSA-N 0 3 332.404 2.017 20 5 EEBDHN Cn1cc(CN2CCC[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129407702 223053710 /nfs/dbraw/zinc/05/37/10/223053710.db2.gz ZYYJACROIKAXAO-QGZVFWFLSA-N 0 3 330.388 2.342 20 5 EEBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000193262437 240083198 /nfs/dbraw/zinc/08/31/98/240083198.db2.gz PZVZCZWHQYWVOF-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000109980723 220006346 /nfs/dbraw/zinc/00/63/46/220006346.db2.gz UTCLTGVCJPAXGV-UHFFFAOYSA-N 0 3 347.415 2.360 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264218656 246199783 /nfs/dbraw/zinc/19/97/83/246199783.db2.gz OOGZYKSLSGYMPE-UHFFFAOYSA-N 0 3 337.445 2.487 20 5 EEBDHN COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1OC ZINC000266348527 248258956 /nfs/dbraw/zinc/25/89/56/248258956.db2.gz DSAOCGXXAVSFFY-GFCCVEGCSA-N 0 3 349.391 2.060 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273022566 256258270 /nfs/dbraw/zinc/25/82/70/256258270.db2.gz UDOSGMMALGBFJO-NSHDSACASA-N 0 3 334.376 2.375 20 5 EEBDHN C[C@@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@@H]1C1CC1 ZINC000273043693 256260040 /nfs/dbraw/zinc/26/00/40/256260040.db2.gz IZWTWSPCQJAEIE-QZTJIDSGSA-N 0 3 345.399 2.031 20 5 EEBDHN COc1ccc(CNCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274293578 256371983 /nfs/dbraw/zinc/37/19/83/256371983.db2.gz ZVLVYYXTZLEPNK-UHFFFAOYSA-N 0 3 334.401 2.238 20 5 EEBDHN CC1CCN(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647078 292140369 /nfs/dbraw/zinc/14/03/69/292140369.db2.gz HZSVTOSOBOXXFK-UHFFFAOYSA-N 0 3 334.420 2.168 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068226834 159017517 /nfs/dbraw/zinc/01/75/17/159017517.db2.gz YGLSHOPTMQXIHY-UONOGXRCSA-N 0 3 334.420 2.243 20 5 EEBDHN COc1ccc(-c2ccc(CN[C@H]3CCC(=O)NC3)o2)c([N+](=O)[O-])c1 ZINC000237440413 160221901 /nfs/dbraw/zinc/22/19/01/160221901.db2.gz OFNNITMGARBKCO-NSHDSACASA-N 0 3 345.355 2.232 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](C)C1 ZINC000245537113 160240844 /nfs/dbraw/zinc/24/08/44/160240844.db2.gz XYJMZSRAZYRUGV-VXGBXAGGSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000247316048 160319919 /nfs/dbraw/zinc/31/99/19/160319919.db2.gz RSGNAHQXVGSABT-UONOGXRCSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1Cc1ccccc1 ZINC000342451453 161066445 /nfs/dbraw/zinc/06/64/45/161066445.db2.gz PIYJGCPWDQAUPA-ZFWWWQNUSA-N 0 3 342.399 2.326 20 5 EEBDHN C[C@H]1CN(C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343787278 161168276 /nfs/dbraw/zinc/16/82/76/161168276.db2.gz LBRHFKQWANWUKE-ZDUSSCGKSA-N 0 3 330.388 2.428 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345957861 161345220 /nfs/dbraw/zinc/34/52/20/161345220.db2.gz VXALENRHRQUGIR-UKRRQHHQSA-N 0 3 334.420 2.261 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832219 164387505 /nfs/dbraw/zinc/38/75/05/164387505.db2.gz DGFXKWGCJLHJMO-WFASDCNBSA-N 0 3 338.404 2.432 20 5 EEBDHN CN1CCN(CC2(C)CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000364941599 165326441 /nfs/dbraw/zinc/32/64/41/165326441.db2.gz GOCLSHVJKLRWRH-UHFFFAOYSA-N 0 3 332.448 2.449 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000369105368 166190667 /nfs/dbraw/zinc/19/06/67/166190667.db2.gz WAWUNGSJLCEQGG-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000375901297 167222022 /nfs/dbraw/zinc/22/20/22/167222022.db2.gz BBKXQFWDFSMBDN-IAGOWNOFSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000278406821 269229169 /nfs/dbraw/zinc/22/91/69/269229169.db2.gz FAFIGQKCQLNXIP-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN CN(C)CCN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279019557 269256841 /nfs/dbraw/zinc/25/68/41/269256841.db2.gz MOLAFBJRAQMYCU-UHFFFAOYSA-N 0 3 348.325 2.317 20 5 EEBDHN Cc1cc(NC(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000191620137 274048984 /nfs/dbraw/zinc/04/89/84/274048984.db2.gz JQMURFFJYWGMCY-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285692135 274776196 /nfs/dbraw/zinc/77/61/96/274776196.db2.gz GYRXNXQODHPCGX-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000416293004 276769808 /nfs/dbraw/zinc/76/98/08/276769808.db2.gz UCDSHWKEOCBRGC-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000344233932 279121534 /nfs/dbraw/zinc/12/15/34/279121534.db2.gz CXONQUVLIWAMLF-MLGOLLRUSA-N 0 3 332.404 2.145 20 5 EEBDHN COC(=O)Cc1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297143141 294163155 /nfs/dbraw/zinc/16/31/55/294163155.db2.gz NTUKONNRMNJJHM-HNNXBMFYSA-N 0 3 347.415 2.375 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000422027675 314171686 /nfs/dbraw/zinc/17/16/86/314171686.db2.gz VSLLHQHIEYHGJD-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN CC(COC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496840872 316291203 /nfs/dbraw/zinc/29/12/03/316291203.db2.gz TVBMFZKGXCFZAI-VXGBXAGGSA-N 0 3 330.381 2.232 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536628052 318005492 /nfs/dbraw/zinc/00/54/92/318005492.db2.gz WZEHZSPZDSIFLM-ZIAGYGMSSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000551571817 318465223 /nfs/dbraw/zinc/46/52/23/318465223.db2.gz VXEBQLMZJBZFIF-CQSZACIVSA-N 0 3 332.356 2.133 20 5 EEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCc2ccccc21 ZINC000563056411 318965506 /nfs/dbraw/zinc/96/55/06/318965506.db2.gz IFOHYKGUQJIEQY-QGZVFWFLSA-N 0 3 340.383 2.010 20 5 EEBDHN Cn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565906454 319226319 /nfs/dbraw/zinc/22/63/19/319226319.db2.gz YERMMKXALYGCIN-YCPHGPKFSA-N 0 3 328.372 2.435 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC(C2CC2)C2CC2)cc1 ZINC000571315272 319744431 /nfs/dbraw/zinc/74/44/31/319744431.db2.gz DVHCFWGEKGJEGH-UHFFFAOYSA-N 0 3 338.429 2.394 20 5 EEBDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000120572586 463013476 /nfs/dbraw/zinc/01/34/76/463013476.db2.gz GAVRHUKVVCBOJZ-MRXNPFEDSA-N 0 3 348.403 2.071 20 5 EEBDHN COc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404094 465349637 /nfs/dbraw/zinc/34/96/37/465349637.db2.gz LUVBFSISAUERAH-INIZCTEOSA-N 0 3 349.431 2.148 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000520868525 468277602 /nfs/dbraw/zinc/27/76/02/468277602.db2.gz HAKYWWODIZNJSU-INIZCTEOSA-N 0 3 330.388 2.274 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000074041619 462546513 /nfs/dbraw/zinc/54/65/13/462546513.db2.gz XHOUJHQRSFQRHB-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN CC(C)N(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350007 462697467 /nfs/dbraw/zinc/69/74/67/462697467.db2.gz YXSGCQVBXHEYPX-UHFFFAOYSA-N 0 3 348.403 2.136 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000068486823 463143435 /nfs/dbraw/zinc/14/34/35/463143435.db2.gz FFCCNKGVUHRUQV-CQSZACIVSA-N 0 3 332.404 2.335 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079718509 463244461 /nfs/dbraw/zinc/24/44/61/463244461.db2.gz VZCVHPMKPHMTJS-LSDHHAIUSA-N 0 3 348.447 2.268 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000084195419 463584769 /nfs/dbraw/zinc/58/47/69/463584769.db2.gz ABNBIJDIXAZWDV-UHFFFAOYSA-N 0 3 346.387 2.404 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1c([N+](=O)[O-])ncn1C ZINC000268345337 463712508 /nfs/dbraw/zinc/71/25/08/463712508.db2.gz SWIXHPLCTAIEMA-UHFFFAOYSA-N 0 3 339.346 2.175 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1CN1CCOCC1 ZINC000255897263 463752910 /nfs/dbraw/zinc/75/29/10/463752910.db2.gz VNDUMGOMTHETNG-GPCFVJJQSA-N 0 3 331.416 2.405 20 5 EEBDHN C[C@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872872 463793760 /nfs/dbraw/zinc/79/37/60/463793760.db2.gz UXFCQHPAEAYNEW-YOEHRIQHSA-N 0 3 348.447 2.188 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553776945 468378915 /nfs/dbraw/zinc/37/89/15/468378915.db2.gz REHQEDDNUJXNDS-IUODEOHRSA-N 0 3 332.404 2.335 20 5 EEBDHN CC(C)O[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000579707606 468399212 /nfs/dbraw/zinc/39/92/12/468399212.db2.gz AOJCPPQUPNQKBC-CQSZACIVSA-N 0 3 349.387 2.392 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264702978 464429570 /nfs/dbraw/zinc/42/95/70/464429570.db2.gz WXLNYKQOUZOCNM-NWDGAFQWSA-N 0 3 337.424 2.121 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272258087 464539353 /nfs/dbraw/zinc/53/93/53/464539353.db2.gz AIFDWGUXKYNZSR-PXAZEXFGSA-N 0 3 344.415 2.335 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000272371088 464581486 /nfs/dbraw/zinc/58/14/86/464581486.db2.gz RYQXKRVRWBFYMJ-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664022 464649045 /nfs/dbraw/zinc/64/90/45/464649045.db2.gz FMKGQGGBTLDUHI-KGLIPLIRSA-N 0 3 333.388 2.059 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000294952349 464660872 /nfs/dbraw/zinc/66/08/72/464660872.db2.gz AWYCAKFIFBBWHU-KGLIPLIRSA-N 0 3 346.431 2.338 20 5 EEBDHN CN1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285762181 464686232 /nfs/dbraw/zinc/68/62/32/464686232.db2.gz WDTSSZXTDKAULQ-UHFFFAOYSA-N 0 3 344.375 2.076 20 5 EEBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000554600011 468428541 /nfs/dbraw/zinc/42/85/41/468428541.db2.gz QZLFRTQHHPKKRE-GFCCVEGCSA-N 0 3 337.424 2.388 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000359098399 465376042 /nfs/dbraw/zinc/37/60/42/465376042.db2.gz SUWCAKZISOLINE-OAHLLOKOSA-N 0 3 347.463 2.211 20 5 EEBDHN CN(CCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000299100603 465602312 /nfs/dbraw/zinc/60/23/12/465602312.db2.gz MNYFUOYNVIHNKS-UHFFFAOYSA-N 0 3 343.383 2.222 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000357018538 465705039 /nfs/dbraw/zinc/70/50/39/465705039.db2.gz ABHHUXKGBNRRRS-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000330605580 465728112 /nfs/dbraw/zinc/72/81/12/465728112.db2.gz ZHPFEKWSRRETTF-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594021596 468464239 /nfs/dbraw/zinc/46/42/39/468464239.db2.gz WOAUKXDIELFVEG-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200032 465984129 /nfs/dbraw/zinc/98/41/29/465984129.db2.gz QSGGVHHDXSXLFB-VBQJREDUSA-N 0 3 347.415 2.162 20 5 EEBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000302147944 466106421 /nfs/dbraw/zinc/10/64/21/466106421.db2.gz IYDHUMVULJXTOB-OKILXGFUSA-N 0 3 349.435 2.101 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302659472 466163882 /nfs/dbraw/zinc/16/38/82/466163882.db2.gz AVYFQNQEYVMYDK-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202879 466188870 /nfs/dbraw/zinc/18/88/70/466188870.db2.gz ZUJDZHIMZGATPR-RDJZCZTQSA-N 0 3 332.448 2.365 20 5 EEBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000354488684 466602598 /nfs/dbraw/zinc/60/25/98/466602598.db2.gz FRKFDFWAFHCYOX-UHFFFAOYSA-N 0 3 343.387 2.317 20 5 EEBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)cc1OC ZINC000354523134 466629100 /nfs/dbraw/zinc/62/91/00/466629100.db2.gz PMIZQXSMUGWCNO-CYBMUJFWSA-N 0 3 347.375 2.117 20 5 EEBDHN O=C([C@H]1CNCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686483 468503024 /nfs/dbraw/zinc/50/30/24/468503024.db2.gz KOTWMJDENBCQBW-CYBMUJFWSA-N 0 3 339.342 2.331 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000411091655 466765500 /nfs/dbraw/zinc/76/55/00/466765500.db2.gz AQLCRCHHDDTDKO-UHFFFAOYSA-N 0 3 344.209 2.427 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412354527 467072830 /nfs/dbraw/zinc/07/28/30/467072830.db2.gz BLILCVDEBONAKL-JZXOWHBKSA-N 0 3 329.400 2.253 20 5 EEBDHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCN1CC(C)(C)O ZINC000432180894 467222653 /nfs/dbraw/zinc/22/26/53/467222653.db2.gz XWTMDWLOQXRVIB-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000451850768 467272741 /nfs/dbraw/zinc/27/27/41/467272741.db2.gz XZALPVYOSYHLSG-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN CN(C)C1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000420631580 467437966 /nfs/dbraw/zinc/43/79/66/467437966.db2.gz VKROHTSTFRPZOH-UHFFFAOYSA-N 0 3 341.433 2.283 20 5 EEBDHN CNc1nc(C(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454367799 467588248 /nfs/dbraw/zinc/58/82/48/467588248.db2.gz HUYMTVZGSABOEB-AWEZNQCLSA-N 0 3 343.387 2.064 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000447801535 467588763 /nfs/dbraw/zinc/58/87/63/467588763.db2.gz CTUTZSSYHAOPMJ-CQSZACIVSA-N 0 3 329.404 3.070 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449745046 467704886 /nfs/dbraw/zinc/70/48/86/467704886.db2.gz LEVXGMPZDJUPBO-UHFFFAOYSA-N 0 3 338.427 2.240 20 5 EEBDHN CO[C@H]1COCC[C@@H]1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000450700222 467894465 /nfs/dbraw/zinc/89/44/65/467894465.db2.gz LWVVCKCZBUKVEM-PXAZEXFGSA-N 0 3 331.372 2.337 20 5 EEBDHN CC[C@@H]1[C@H](C(=O)OCC(C)[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000497253017 467906423 /nfs/dbraw/zinc/90/64/23/467906423.db2.gz MGXQGZSFMMTBPV-IJLUTSLNSA-N 0 3 330.381 2.230 20 5 EEBDHN CC(C)[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487976693 468064559 /nfs/dbraw/zinc/06/45/59/468064559.db2.gz ZWSNPANTYAYMLU-INIZCTEOSA-N 0 3 334.420 2.195 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488036519 468068862 /nfs/dbraw/zinc/06/88/62/468068862.db2.gz RPBNPIIPGMOKHK-WFASDCNBSA-N 0 3 335.404 2.331 20 5 EEBDHN CC1(C)CCC[C@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590192593 468222047 /nfs/dbraw/zinc/22/20/47/468222047.db2.gz TVKIUCWERWTNMG-KRWDZBQOSA-N 0 3 336.388 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000592140015 468634179 /nfs/dbraw/zinc/63/41/79/468634179.db2.gz SYENEIWQCWTTSX-WBVHZDCISA-N 0 3 343.383 2.219 20 5 EEBDHN COc1ccc(COC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000583517070 468709944 /nfs/dbraw/zinc/70/99/44/468709944.db2.gz AWEZNXPXXFBVFU-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000595015592 468743989 /nfs/dbraw/zinc/74/39/89/468743989.db2.gz ZFIMSAIDWBCGFG-IHRRRGAJSA-N 0 3 337.420 2.363 20 5 EEBDHN CCCN1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097592 468758134 /nfs/dbraw/zinc/75/81/34/468758134.db2.gz YUCIFEOVTWFSHO-NVXWUHKLSA-N 0 3 343.431 2.492 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593088504 468865828 /nfs/dbraw/zinc/86/58/28/468865828.db2.gz FOIKMIFCYJAEIC-UHFFFAOYSA-N 0 3 349.362 2.460 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598600353 468928033 /nfs/dbraw/zinc/92/80/33/468928033.db2.gz DAYATUQBBPFQCI-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000602779741 469068998 /nfs/dbraw/zinc/06/89/98/469068998.db2.gz NVYDOESDEYWEKM-QGZVFWFLSA-N 0 3 343.431 2.306 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587997142 469101328 /nfs/dbraw/zinc/10/13/28/469101328.db2.gz GZLXHOWNULPHPK-AWEZNQCLSA-N 0 3 336.411 2.339 20 5 EEBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCCN1CC(F)(F)F ZINC000610946218 469118084 /nfs/dbraw/zinc/11/80/84/469118084.db2.gz UMZBVXKLXICGDZ-CYBMUJFWSA-N 0 3 345.321 2.280 20 5 EEBDHN Cc1cc(N2CCC(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596086731 469148060 /nfs/dbraw/zinc/14/80/60/469148060.db2.gz CIAVRKQVOWTNHM-UHFFFAOYSA-N 0 3 338.477 2.429 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187845 469209632 /nfs/dbraw/zinc/20/96/32/469209632.db2.gz ZGXYIIRRDLMVGH-MAJSYBNXSA-N 0 3 331.416 2.403 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCc2nncn2CC)cc1[N+](=O)[O-] ZINC000611335998 469230184 /nfs/dbraw/zinc/23/01/84/469230184.db2.gz HYPJFUICOTYSGT-GFCCVEGCSA-N 0 3 333.392 2.498 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596638005 469317715 /nfs/dbraw/zinc/31/77/15/469317715.db2.gz RCPPUIKWTZHFFR-HNNXBMFYSA-N 0 3 348.403 2.278 20 5 EEBDHN CC(C)[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000617101467 469593605 /nfs/dbraw/zinc/59/36/05/469593605.db2.gz BREIYMFULHQQSR-OAHLLOKOSA-N 0 3 335.404 2.138 20 5 EEBDHN Cc1nccn1C[C@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609222790 469903501 /nfs/dbraw/zinc/90/35/01/469903501.db2.gz HPIPBBVUKXIKEI-GFCCVEGCSA-N 0 3 346.387 2.297 20 5 EEBDHN CCn1cnnc1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609851443 469965998 /nfs/dbraw/zinc/96/59/98/469965998.db2.gz KSQASNGLONTDEH-UHFFFAOYSA-N 0 3 341.318 2.140 20 5 EEBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000610336855 470005081 /nfs/dbraw/zinc/00/50/81/470005081.db2.gz PFFJTTFCNPBZDG-SCRDCRAPSA-N 0 3 326.418 2.160 20 5 EEBDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191644702 528436579 /nfs/dbraw/zinc/43/65/79/528436579.db2.gz FOQDYEZDMRELDV-QGZVFWFLSA-N 0 3 335.404 2.067 20 5 EEBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451635868 536646095 /nfs/dbraw/zinc/64/60/95/536646095.db2.gz YRGOMPOGLOPVJD-CHWSQXEVSA-N 0 3 327.768 2.344 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=S)NNc1cccc([N+](=O)[O-])c1C ZINC000727981575 576465430 /nfs/dbraw/zinc/46/54/30/576465430.db2.gz OJZMADKUQKXVPE-GFCCVEGCSA-N 0 3 337.449 2.179 20 5 EEBDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776274213 577456204 /nfs/dbraw/zinc/45/62/04/577456204.db2.gz CDMOXXPCVQTFPP-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN CN(C)C(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277113 577456525 /nfs/dbraw/zinc/45/65/25/577456525.db2.gz PGVRDHZLXQSWJQ-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN COc1cc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000776582184 577463222 /nfs/dbraw/zinc/46/32/22/577463222.db2.gz LOUGNOPPQMKMSV-INIZCTEOSA-N 0 3 332.356 2.474 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766145987 577513777 /nfs/dbraw/zinc/51/37/77/577513777.db2.gz DNPQUTZYDNAVHK-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN COc1ccc(OCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250563 577803060 /nfs/dbraw/zinc/80/30/60/577803060.db2.gz JXDHPJMFTFPSMU-KRWDZBQOSA-N 0 3 332.356 2.305 20 5 EEBDHN COc1ccc(OC)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250117 577803119 /nfs/dbraw/zinc/80/31/19/577803119.db2.gz AZPLHCWJJSSNMB-INIZCTEOSA-N 0 3 332.356 2.435 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000736568401 578212105 /nfs/dbraw/zinc/21/21/05/578212105.db2.gz BJUASWCYINPYKE-NWDGAFQWSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000736568401 578212106 /nfs/dbraw/zinc/21/21/06/578212106.db2.gz BJUASWCYINPYKE-NWDGAFQWSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000736568401 578212107 /nfs/dbraw/zinc/21/21/07/578212107.db2.gz BJUASWCYINPYKE-NWDGAFQWSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000736568401 578212108 /nfs/dbraw/zinc/21/21/08/578212108.db2.gz BJUASWCYINPYKE-NWDGAFQWSA-N 0 3 345.407 2.084 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000891934348 677714953 /nfs/dbraw/zinc/71/49/53/677714953.db2.gz ZERHDFSRSIMSGE-CQSZACIVSA-N 0 3 335.404 2.369 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(c2ccnc3ccccc32)CC1 ZINC000894370332 682669098 /nfs/dbraw/zinc/66/90/98/682669098.db2.gz VLZKNLFAPNHHCT-UHFFFAOYSA-N 0 3 338.371 2.203 20 5 EEBDHN CN(C)CCONC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897875648 691809244 /nfs/dbraw/zinc/80/92/44/691809244.db2.gz HIQIYVDRESMZBO-UHFFFAOYSA-N 0 3 340.138 2.264 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072501002 1192539997 /nfs/dbraw/zinc/53/99/97/1192539997.db2.gz OVUZIMVOIQDWFL-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN CCOC(=O)Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000825785924 1199228407 /nfs/dbraw/zinc/22/84/07/1199228407.db2.gz YYXGRZVQVLQCDI-OAHLLOKOSA-N 0 3 345.399 2.151 20 5 EEBDHN CCc1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)nc1 ZINC001134079867 1199298203 /nfs/dbraw/zinc/29/82/03/1199298203.db2.gz GCYFQOBLKOHREP-UHFFFAOYSA-N 0 3 342.399 2.001 20 5 EEBDHN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107332 1201119338 /nfs/dbraw/zinc/11/93/38/1201119338.db2.gz LZOCTXHBVLPEIZ-ZFWWWQNUSA-N 0 3 336.388 2.348 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000866369690 1201501534 /nfs/dbraw/zinc/50/15/34/1201501534.db2.gz NCZBZRFIFMHZDB-UGFHNGPFSA-N 0 3 335.379 2.408 20 5 EEBDHN Cc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000882815688 1201949688 /nfs/dbraw/zinc/94/96/88/1201949688.db2.gz NRZPLHMUQWIQMG-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN CCOC(=O)N1CCC([C@H](C)NCc2cccnc2[N+](=O)[O-])CC1 ZINC000886147442 1202477295 /nfs/dbraw/zinc/47/72/95/1202477295.db2.gz SWBUFJUNHOINBH-LBPRGKRZSA-N 0 3 336.392 2.336 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C1OCCO1 ZINC000933904610 1207866645 /nfs/dbraw/zinc/86/66/45/1207866645.db2.gz ZCNKHPNWSYMBLZ-OAHLLOKOSA-N 0 3 349.387 2.069 20 5 EEBDHN COc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000118572060 1229349683 /nfs/dbraw/zinc/34/96/83/1229349683.db2.gz XWZCDHMSOCWNNU-MRXNPFEDSA-N 0 3 332.356 2.435 20 5 EEBDHN O=C(OCCOc1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000801872229 1236329979 /nfs/dbraw/zinc/32/99/79/1236329979.db2.gz YFSFPMREWPJGHP-UHFFFAOYSA-N 0 3 334.372 2.391 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000902543389 1237844790 /nfs/dbraw/zinc/84/47/90/1237844790.db2.gz SAQTVTZSXCHKLY-HNNXBMFYSA-N 0 3 346.435 2.268 20 5 EEBDHN C[C@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344203 1297637417 /nfs/dbraw/zinc/63/74/17/1297637417.db2.gz RYBFRPFTCSNSSN-ZBEGNZNMSA-N 0 3 329.356 2.090 20 5 EEBDHN CC(C)OCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222547967 1299673052 /nfs/dbraw/zinc/67/30/52/1299673052.db2.gz MVEHZILADKYGNJ-UHFFFAOYSA-N 0 3 349.431 2.348 20 5 EEBDHN CCN1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227453637 1301835947 /nfs/dbraw/zinc/83/59/47/1301835947.db2.gz VVUJANUZOYEJRX-HNNXBMFYSA-N 0 3 340.379 2.394 20 5 EEBDHN Cc1cnc(NC2(CNC(=O)CN(C)C(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001111815250 1303932993 /nfs/dbraw/zinc/93/29/93/1303932993.db2.gz AMMRMBYAZXPOIL-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677551 1304326395 /nfs/dbraw/zinc/32/63/95/1304326395.db2.gz OVZCUTWZNSWJEW-DZGCQCFKSA-N 0 3 344.795 2.158 20 5 EEBDHN CN(CCCNC(=O)COC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001234415208 1304914393 /nfs/dbraw/zinc/91/43/93/1304914393.db2.gz VCVGQBSIMMLQFK-UHFFFAOYSA-N 0 3 349.431 2.492 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC001149630330 1316000778 /nfs/dbraw/zinc/00/07/78/1316000778.db2.gz QARGHGJXOUMOTA-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN Cc1cccc(OCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001150879522 1316399536 /nfs/dbraw/zinc/39/95/36/1316399536.db2.gz BHOLVHBOLXBKMP-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2n(c1)CCCC2 ZINC001153924326 1316917125 /nfs/dbraw/zinc/91/71/25/1316917125.db2.gz PAMMGHIVNOFERP-UHFFFAOYSA-N 0 3 342.399 2.252 20 5 EEBDHN COc1nc(C)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001155253530 1317523684 /nfs/dbraw/zinc/52/36/84/1317523684.db2.gz BUCXWVJWRHEJSM-QMMMGPOBSA-N 0 3 328.332 2.060 20 5 EEBDHN CCOC(=O)c1c(CN)ncn1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532061 1318112396 /nfs/dbraw/zinc/11/23/96/1318112396.db2.gz JJBBKTHTORMNRA-NSHDSACASA-N 0 3 332.360 2.230 20 5 EEBDHN COC(=O)c1ccnc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585827 1318134753 /nfs/dbraw/zinc/13/47/53/1318134753.db2.gz XJYPIEPTAJIJAS-CQSZACIVSA-N 0 3 327.340 2.033 20 5 EEBDHN COc1cc(N2CCC(NCc3cnco3)CC2)ccc1[N+](=O)[O-] ZINC001256086920 1318643926 /nfs/dbraw/zinc/64/39/26/1318643926.db2.gz IMNACGNUHVDENC-UHFFFAOYSA-N 0 3 332.360 2.350 20 5 EEBDHN Cc1nc(Cl)nc(NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC001163270422 1321083431 /nfs/dbraw/zinc/08/34/31/1321083431.db2.gz PRAMLIKGPLOIQE-LBPRGKRZSA-N 0 3 333.779 2.473 20 5 EEBDHN COc1ccc(C[C@H]2CCN2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001307526577 1331539555 /nfs/dbraw/zinc/53/95/55/1331539555.db2.gz VQRBOGGPCVHDGT-OAHLLOKOSA-N 0 3 330.388 2.425 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC001318389277 1332522258 /nfs/dbraw/zinc/52/22/58/1332522258.db2.gz FBHSCBFBBICQMW-OLZOCXBDSA-N 0 3 341.433 2.054 20 5 EEBDHN CS[C@@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609370228 1351948775 /nfs/dbraw/zinc/94/87/75/1351948775.db2.gz YOEOIQGZCJXWIR-CYBMUJFWSA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609370228 1351948776 /nfs/dbraw/zinc/94/87/76/1351948776.db2.gz YOEOIQGZCJXWIR-CYBMUJFWSA-N 0 3 348.432 2.492 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC001334609671 1336275265 /nfs/dbraw/zinc/27/52/65/1336275265.db2.gz IWDUWUYDBYGWOF-AWEZNQCLSA-N 0 3 346.431 2.409 20 5 EEBDHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC001339852989 1337084953 /nfs/dbraw/zinc/08/49/53/1337084953.db2.gz FZISAOYITLURGT-CYBMUJFWSA-N 0 3 334.376 2.448 20 5 EEBDHN C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591183822 1349444674 /nfs/dbraw/zinc/44/46/74/1349444674.db2.gz ITMXKOPTYFPHFS-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591183822 1349444678 /nfs/dbraw/zinc/44/46/78/1349444678.db2.gz ITMXKOPTYFPHFS-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591183822 1349444682 /nfs/dbraw/zinc/44/46/82/1349444682.db2.gz ITMXKOPTYFPHFS-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591183822 1349444687 /nfs/dbraw/zinc/44/46/87/1349444687.db2.gz ITMXKOPTYFPHFS-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[NH+](CC)CC[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604284666 1350908999 /nfs/dbraw/zinc/90/89/99/1350908999.db2.gz FMHPUSLDFKDFSL-NSHDSACASA-N 0 3 333.396 2.307 20 5 EEBDHN CC[NH+](CC)CC[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604284666 1350909001 /nfs/dbraw/zinc/90/90/01/1350909001.db2.gz FMHPUSLDFKDFSL-NSHDSACASA-N 0 3 333.396 2.307 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103644151 1371044056 /nfs/dbraw/zinc/04/40/56/1371044056.db2.gz KLBSKXBFMUYKKL-HDJSIYSDSA-N 0 3 349.435 2.171 20 5 EEBDHN CC(C)N(C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112352983 1371409028 /nfs/dbraw/zinc/40/90/28/1371409028.db2.gz LQUCGUKPUKYEAJ-UHFFFAOYSA-N 0 3 349.435 2.123 20 5 EEBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1Br ZINC000847713752 1373002411 /nfs/dbraw/zinc/00/24/11/1373002411.db2.gz APFVDRAORFHCBB-KCJUWKMLSA-N 0 3 332.150 2.345 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)c1 ZINC001167700529 761876258 /nfs/dbraw/zinc/87/62/58/761876258.db2.gz JWBBRTXZMJFNAN-UHFFFAOYSA-N 0 3 326.312 2.179 20 5 EEBDHN CCN(CC)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091459299 790892767 /nfs/dbraw/zinc/89/27/67/790892767.db2.gz SNXJHNWTKBGJSJ-CTYIDZIISA-N 0 3 334.420 2.243 20 5 EEBDHN CCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001135947774 784845863 /nfs/dbraw/zinc/84/58/63/784845863.db2.gz NLHCPXIKKGNGDJ-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCC[S@](=O)Cc2ccccc2)c1 ZINC000819042782 785372003 /nfs/dbraw/zinc/37/20/03/785372003.db2.gz NWAMZNIVRVVGGE-XDHUDOTRSA-N 0 3 348.424 2.167 20 5 EEBDHN CO[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819069421 785411721 /nfs/dbraw/zinc/41/17/21/785411721.db2.gz PEBJPOHEWBAAJI-LLVKDONJSA-N 0 3 335.282 2.090 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000819168573 785442721 /nfs/dbraw/zinc/44/27/21/785442721.db2.gz QZCXTKOTSHLRHI-ZDUSSCGKSA-N 0 3 344.293 2.177 20 5 EEBDHN CCN1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910278289 786609331 /nfs/dbraw/zinc/60/93/31/786609331.db2.gz CWCYIWCCWVXFRO-LBPRGKRZSA-N 0 3 335.404 2.468 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107280801 786701368 /nfs/dbraw/zinc/70/13/68/786701368.db2.gz VDMJWYBZMJWWPV-AATRIKPKSA-N 0 3 334.420 2.329 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C2(N(C)C)CCC2)c1 ZINC001107379100 787067692 /nfs/dbraw/zinc/06/76/92/787067692.db2.gz AORFMHKSRVSVTH-SNAWJCMRSA-N 0 3 346.431 2.472 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncccc1Cl ZINC001148497203 792490015 /nfs/dbraw/zinc/49/00/15/792490015.db2.gz GLQLMIZXVDVXNU-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC001093888931 795766974 /nfs/dbraw/zinc/76/69/74/795766974.db2.gz IHBHJTICYZYOAU-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CC[C@@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000922589180 801428583 /nfs/dbraw/zinc/42/85/83/801428583.db2.gz IEXBMBVHEUWUAK-ZDUSSCGKSA-N 0 3 327.812 2.449 20 5 EEBDHN Cn1ccc(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086341425 802784260 /nfs/dbraw/zinc/78/42/60/802784260.db2.gz ORJMNMFYCBXZCV-SAZUREKKSA-N 0 3 342.399 2.232 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013969 803571117 /nfs/dbraw/zinc/57/11/17/803571117.db2.gz WZQIQYRGXPDCHN-XDQVBPFNSA-N 0 3 325.409 2.125 20 5 EEBDHN O=C1CCC2(CCC(CNc3cc4c(cc3[N+](=O)[O-])CNC4)CC2)N1 ZINC001169296239 803690041 /nfs/dbraw/zinc/69/00/41/803690041.db2.gz STVFNQNFLHNYOT-UHFFFAOYSA-N 0 3 344.415 2.449 20 5 EEBDHN COCCC(C)(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001169838213 804106383 /nfs/dbraw/zinc/10/63/83/804106383.db2.gz MUTKPKIDOBYJLC-UHFFFAOYSA-N 0 3 337.420 2.253 20 5 EEBDHN CCc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001129582544 810914622 /nfs/dbraw/zinc/91/46/22/810914622.db2.gz CZNMHUFGAXJPNQ-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1c([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183438311 235077369 /nfs/dbraw/zinc/07/73/69/235077369.db2.gz RYMCUKGYFOCIPU-NSHDSACASA-N 0 3 331.376 2.316 20 5 EEBDHN COCCCN(C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130926202 223187884 /nfs/dbraw/zinc/18/78/84/223187884.db2.gz JOTMBDYVYBENME-UHFFFAOYSA-N 0 3 347.213 2.133 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421714170 240020643 /nfs/dbraw/zinc/02/06/43/240020643.db2.gz UZFDJHMKHJMEMU-LLVKDONJSA-N 0 3 343.330 2.362 20 5 EEBDHN CCN(CCCNCc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000236850198 242382042 /nfs/dbraw/zinc/38/20/42/242382042.db2.gz HUZPBWJUTXQSTC-UHFFFAOYSA-N 0 3 349.840 2.009 20 5 EEBDHN CCOC[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712263 245218975 /nfs/dbraw/zinc/21/89/75/245218975.db2.gz WEVNPJBQIQCEJD-HOTGVXAUSA-N 0 3 338.404 2.226 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CC2)OCc2ccccc23)n1 ZINC000372744069 285167977 /nfs/dbraw/zinc/16/79/77/285167977.db2.gz TVAJGPSWPXUDKX-UHFFFAOYSA-N 0 3 328.372 2.313 20 5 EEBDHN COCCN(CCCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000267058343 256023037 /nfs/dbraw/zinc/02/30/37/256023037.db2.gz IEQCBZHPUWBSHY-UHFFFAOYSA-N 0 3 332.404 2.373 20 5 EEBDHN CN(C)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267922925 256097194 /nfs/dbraw/zinc/09/71/94/256097194.db2.gz KQMGDBCBQKCTEA-UHFFFAOYSA-N 0 3 348.172 2.130 20 5 EEBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419609 256133690 /nfs/dbraw/zinc/13/36/90/256133690.db2.gz GIWUSFGTNLLWMC-YVEFUNNKSA-N 0 3 349.387 2.245 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccnc(OCCN(C)C)c2)n1 ZINC000270546668 256147143 /nfs/dbraw/zinc/14/71/43/256147143.db2.gz AAKNTZBIFFQFLX-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000352868762 285371560 /nfs/dbraw/zinc/37/15/60/285371560.db2.gz DLZCKCSKFZQPAU-CHWSQXEVSA-N 0 3 341.433 2.088 20 5 EEBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129516108 533397914 /nfs/dbraw/zinc/39/79/14/533397914.db2.gz SIZRBFXYPGPSJW-CYBMUJFWSA-N 0 3 349.412 2.224 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111050241 142351587 /nfs/dbraw/zinc/35/15/87/142351587.db2.gz VYDACUHAYHJDRJ-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN O=C1OCC[C@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120770143 142396683 /nfs/dbraw/zinc/39/66/83/142396683.db2.gz PQMYFAMIEWYDDR-CYBMUJFWSA-N 0 3 334.372 2.391 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000117783020 152083352 /nfs/dbraw/zinc/08/33/52/152083352.db2.gz YXJVJIZCRKBEII-AWEZNQCLSA-N 0 3 337.807 2.487 20 5 EEBDHN CCOc1cc(N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092652810 159223883 /nfs/dbraw/zinc/22/38/83/159223883.db2.gz JGBZAQPEEASDTL-UHFFFAOYSA-N 0 3 336.436 2.067 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000104186120 159283227 /nfs/dbraw/zinc/28/32/27/159283227.db2.gz QEQJRESQOYZIHQ-NSHDSACASA-N 0 3 346.412 2.400 20 5 EEBDHN COc1ccc(-c2ccc(CNCCC(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287459 160220535 /nfs/dbraw/zinc/22/05/35/160220535.db2.gz FFBYFQJHDKYXCB-UHFFFAOYSA-N 0 3 347.371 2.431 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154085 161043953 /nfs/dbraw/zinc/04/39/53/161043953.db2.gz UMOPNJAZJHWQPB-SJCJKPOMSA-N 0 3 344.415 2.145 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)[C@@H](C)CC ZINC000343793160 161168702 /nfs/dbraw/zinc/16/87/02/161168702.db2.gz ZIIHUZPUNMTQLH-LBPRGKRZSA-N 0 3 343.449 2.166 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000352868765 162320826 /nfs/dbraw/zinc/32/08/26/162320826.db2.gz DLZCKCSKFZQPAU-STQMWFEESA-N 0 3 341.433 2.088 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000355341148 163152879 /nfs/dbraw/zinc/15/28/79/163152879.db2.gz ORVBPMHBLKIABI-UHFFFAOYSA-N 0 3 337.420 2.410 20 5 EEBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000355607237 163248069 /nfs/dbraw/zinc/24/80/69/163248069.db2.gz NIBCLWPCENZENL-GFCCVEGCSA-N 0 3 340.401 2.084 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246065721 292599288 /nfs/dbraw/zinc/59/92/88/292599288.db2.gz RXPWVNLQSXJNFR-NOLJZWGESA-N 0 3 335.404 2.190 20 5 EEBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122905198 222179671 /nfs/dbraw/zinc/17/96/71/222179671.db2.gz WPJCNSXPUVJUAD-UHFFFAOYSA-N 0 3 333.344 2.058 20 5 EEBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000122904975 222179764 /nfs/dbraw/zinc/17/97/64/222179764.db2.gz LROXBQJYTIOAOO-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518498 275066200 /nfs/dbraw/zinc/06/62/00/275066200.db2.gz TVDSSNGQBAMSTJ-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518498 275066201 /nfs/dbraw/zinc/06/62/01/275066201.db2.gz TVDSSNGQBAMSTJ-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000289612023 275132427 /nfs/dbraw/zinc/13/24/27/275132427.db2.gz LGMMYFRZWXHDMQ-HZPDHXFCSA-N 0 3 330.388 2.341 20 5 EEBDHN Cc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000290726869 275233646 /nfs/dbraw/zinc/23/36/46/275233646.db2.gz ZRXSGMGUDPQECG-AWEZNQCLSA-N 0 3 343.387 2.112 20 5 EEBDHN Cc1c(NC(=O)CCN2CC[C@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291998822 275362372 /nfs/dbraw/zinc/36/23/72/275362372.db2.gz XFKJSOHCRNLHEH-AWEZNQCLSA-N 0 3 343.387 2.375 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343477498 279125097 /nfs/dbraw/zinc/12/50/97/279125097.db2.gz CRHLFZIMMVWNQW-UKRRQHHQSA-N 0 3 346.431 2.408 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000293004456 293099967 /nfs/dbraw/zinc/09/99/67/293099967.db2.gz PDPNEOCNQDUOBJ-GFCCVEGCSA-N 0 3 344.350 2.467 20 5 EEBDHN CN(C[C@H](O)Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234082 293158287 /nfs/dbraw/zinc/15/82/87/293158287.db2.gz HIRKKMSLKNNDDP-MSOLQXFVSA-N 0 3 330.384 2.164 20 5 EEBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000293643567 293259687 /nfs/dbraw/zinc/25/96/87/293259687.db2.gz HQIARCYQXKOPRW-AWEZNQCLSA-N 0 3 347.415 2.306 20 5 EEBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440071380 315110916 /nfs/dbraw/zinc/11/09/16/315110916.db2.gz BJTPSISLSLRLMT-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN COC(=O)COc1ccc(CNCCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000530547163 317730559 /nfs/dbraw/zinc/73/05/59/317730559.db2.gz YKBLAMQNFSMUEE-UHFFFAOYSA-N 0 3 348.355 2.380 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(Cc2ccccc2)c1 ZINC000358316948 465055337 /nfs/dbraw/zinc/05/53/37/465055337.db2.gz JHHPTGHHYWMCQU-CQSZACIVSA-N 0 3 340.387 2.387 20 5 EEBDHN CC[C@H](c1ccccc1OC)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347552907 465089571 /nfs/dbraw/zinc/08/95/71/465089571.db2.gz DESAHUGJFAXUCJ-GOEBONIOSA-N 0 3 348.403 2.244 20 5 EEBDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296302796 465149342 /nfs/dbraw/zinc/14/93/42/465149342.db2.gz PJDSUKHBDMNMKQ-LSDHHAIUSA-N 0 3 335.404 2.375 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@@H]1C ZINC000521386371 468308008 /nfs/dbraw/zinc/30/80/08/468308008.db2.gz RTJZVIXLSVPOSR-NWDGAFQWSA-N 0 3 349.387 2.316 20 5 EEBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074775146 462633398 /nfs/dbraw/zinc/63/33/98/462633398.db2.gz AAZNCIIZUFVBPV-AWEZNQCLSA-N 0 3 342.403 2.068 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635380 462699874 /nfs/dbraw/zinc/69/98/74/462699874.db2.gz CQGLBOXOULLKEK-WFASDCNBSA-N 0 3 340.445 2.329 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054933 462770325 /nfs/dbraw/zinc/77/03/25/462770325.db2.gz VZKFNCAKAKZKIZ-LRDDRELGSA-N 0 3 338.404 2.432 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000154565271 462783748 /nfs/dbraw/zinc/78/37/48/462783748.db2.gz IGIICKBGOWBADE-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(CC2CC2)C1 ZINC000117796507 462812704 /nfs/dbraw/zinc/81/27/04/462812704.db2.gz GVSWOBHCQZVSAT-ZDUSSCGKSA-N 0 3 337.807 2.391 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000590756120 468329118 /nfs/dbraw/zinc/32/91/18/468329118.db2.gz GSHZJHYHRPONIG-LYRGGWFBSA-N 0 3 333.388 2.245 20 5 EEBDHN CN(C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017334039 462999233 /nfs/dbraw/zinc/99/92/33/462999233.db2.gz KLWXTUFUFPICAD-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000060156224 463650408 /nfs/dbraw/zinc/65/04/08/463650408.db2.gz LKCAOYZQNGTPDX-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN Nc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000286872571 463729687 /nfs/dbraw/zinc/72/96/87/463729687.db2.gz NOXAKXUKYXQVMB-INIZCTEOSA-N 0 3 342.399 2.356 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286880227 463732242 /nfs/dbraw/zinc/73/22/42/463732242.db2.gz FEURYKGEFABOBE-ZETCQYMHSA-N 0 3 348.172 2.176 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029317 463778115 /nfs/dbraw/zinc/77/81/15/463778115.db2.gz LRHYIIUDPATNDE-LRDDRELGSA-N 0 3 338.429 2.387 20 5 EEBDHN COc1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194364021 463846388 /nfs/dbraw/zinc/84/63/88/463846388.db2.gz HBCGYVDRVQYIQC-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2c2cccc(Cl)c2)n1 ZINC000261886158 463888523 /nfs/dbraw/zinc/88/85/23/463888523.db2.gz VBYJLQDOSMKLMY-AWEZNQCLSA-N 0 3 335.795 2.091 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178485584 463908750 /nfs/dbraw/zinc/90/87/50/463908750.db2.gz LGZMUQSDTPHDSY-OAHLLOKOSA-N 0 3 349.431 2.148 20 5 EEBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643068 464044425 /nfs/dbraw/zinc/04/44/25/464044425.db2.gz JTPHYUHAOMIKIN-YOEHRIQHSA-N 0 3 349.431 2.257 20 5 EEBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172468877 464088744 /nfs/dbraw/zinc/08/87/44/464088744.db2.gz CKXGHDXMRAXIBG-ZDUSSCGKSA-N 0 3 349.412 2.224 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000284366215 464164906 /nfs/dbraw/zinc/16/49/06/464164906.db2.gz OCDWQDNDJYEFRM-UHFFFAOYSA-N 0 3 344.209 2.299 20 5 EEBDHN CCCNC(=O)CN1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173317916 464239674 /nfs/dbraw/zinc/23/96/74/464239674.db2.gz JECKMKNIPDRYNZ-CQSZACIVSA-N 0 3 348.447 2.236 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000284810240 464349795 /nfs/dbraw/zinc/34/97/95/464349795.db2.gz KRMRGJSNLQPFSR-SJLPKXTDSA-N 0 3 349.431 2.287 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000271666532 464357274 /nfs/dbraw/zinc/35/72/74/464357274.db2.gz WFBZYABQVKLAJE-HUUCEWRRSA-N 0 3 325.434 2.223 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000237707678 464367047 /nfs/dbraw/zinc/36/70/47/464367047.db2.gz QKGQDBHFRIHVGV-DYVFJYSZSA-N 0 3 342.399 2.459 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264659489 464411808 /nfs/dbraw/zinc/41/18/08/464411808.db2.gz YJERUMVUENSRGX-ZDUSSCGKSA-N 0 3 348.359 2.203 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189126231 464438745 /nfs/dbraw/zinc/43/87/45/464438745.db2.gz ACULYKPFAYBNPS-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000245430138 464481290 /nfs/dbraw/zinc/48/12/90/464481290.db2.gz ACIKNCVFPJXTEW-WBVHZDCISA-N 0 3 342.399 2.080 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C1CC1 ZINC000181466128 464494801 /nfs/dbraw/zinc/49/48/01/464494801.db2.gz HJSKQIQLSNOQIO-VIFPVBQESA-N 0 3 343.330 2.409 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272570045 464662827 /nfs/dbraw/zinc/66/28/27/464662827.db2.gz FQXWBRYQDUVPQP-MEDUHNTESA-N 0 3 328.372 2.242 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593896 464672978 /nfs/dbraw/zinc/67/29/78/464672978.db2.gz OJQUXSMLGLXOKA-JKSUJKDBSA-N 0 3 346.431 2.263 20 5 EEBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1CC(C)(C)O ZINC000295021353 464680763 /nfs/dbraw/zinc/68/07/63/464680763.db2.gz MEGDXGFMMHZRDN-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247540551 464693277 /nfs/dbraw/zinc/69/32/77/464693277.db2.gz JYSRCWFBDYTIGE-NVXWUHKLSA-N 0 3 338.404 2.081 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934590 464739472 /nfs/dbraw/zinc/73/94/72/464739472.db2.gz FQFUPVAQKJTCPF-CJNGLKHVSA-N 0 3 344.415 2.348 20 5 EEBDHN C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000295446784 464839384 /nfs/dbraw/zinc/83/93/84/464839384.db2.gz GWILHALECPJQDH-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177332589 464989448 /nfs/dbraw/zinc/98/94/48/464989448.db2.gz AUHYJWAMUNENLW-KGLIPLIRSA-N 0 3 332.404 2.092 20 5 EEBDHN O=C(CCN1CCC(O)(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337355793 465324039 /nfs/dbraw/zinc/32/40/39/465324039.db2.gz CDNTVKAGYFTRBH-UHFFFAOYSA-N 0 3 343.330 2.015 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411473 465354206 /nfs/dbraw/zinc/35/42/06/465354206.db2.gz NQUTWKYPFQIFJJ-YPMHNXCESA-N 0 3 343.330 2.334 20 5 EEBDHN Cn1nccc1[C@H]1OCC[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579306 465530963 /nfs/dbraw/zinc/53/09/63/465530963.db2.gz KFZNTNJAJMZVSB-KSSFIOAISA-N 0 3 342.399 2.464 20 5 EEBDHN COc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000299106610 465605318 /nfs/dbraw/zinc/60/53/18/465605318.db2.gz WCILHPNGHZGDGN-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344617627 465726041 /nfs/dbraw/zinc/72/60/41/465726041.db2.gz OFPYUDRABSTBJH-NSHDSACASA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119416 465777528 /nfs/dbraw/zinc/77/75/28/465777528.db2.gz IQWMKRLTAMLGRW-IAQYHMDHSA-N 0 3 335.335 2.219 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000330919150 465860563 /nfs/dbraw/zinc/86/05/63/465860563.db2.gz YCRXKKKRJIVVQG-ZYHUDNBSSA-N 0 3 325.796 2.390 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000361404817 465965058 /nfs/dbraw/zinc/96/50/58/465965058.db2.gz OBIRABJIYAFERI-DLBZAZTESA-N 0 3 330.388 2.379 20 5 EEBDHN Cc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019735 466079844 /nfs/dbraw/zinc/07/98/44/466079844.db2.gz NGZXOBHGDCLBHT-KGLIPLIRSA-N 0 3 344.415 2.343 20 5 EEBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202878 466188036 /nfs/dbraw/zinc/18/80/36/466188036.db2.gz ZUJDZHIMZGATPR-NVXWUHKLSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049629 466195132 /nfs/dbraw/zinc/19/51/32/466195132.db2.gz OCWZDUDPFRXXPW-SJORKVTESA-N 0 3 330.388 2.298 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000332356051 466525244 /nfs/dbraw/zinc/52/52/44/466525244.db2.gz ZMTMEKAXXAHROH-HIFRSBDPSA-N 0 3 346.431 2.408 20 5 EEBDHN CC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413139069 467177817 /nfs/dbraw/zinc/17/78/17/467177817.db2.gz DPWZTSVNDQQXRY-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN CS(=O)(=O)c1cccc(Nc2ccc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000420179231 467316644 /nfs/dbraw/zinc/31/66/44/467316644.db2.gz BVGMIBFVTIYPPF-UHFFFAOYSA-N 0 3 347.396 2.388 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000518394777 468114370 /nfs/dbraw/zinc/11/43/70/468114370.db2.gz YUSZITYAUBCLRF-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418816 468579583 /nfs/dbraw/zinc/57/95/83/468579583.db2.gz LVYALHIIRHEHER-NEPJUHHUSA-N 0 3 335.408 2.188 20 5 EEBDHN CC(C)c1ccc(CN[C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594516459 468614364 /nfs/dbraw/zinc/61/43/64/468614364.db2.gz RRNCCLQSJNJWBJ-CYBMUJFWSA-N 0 3 329.404 2.494 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000592543926 468727497 /nfs/dbraw/zinc/72/74/97/468727497.db2.gz YCKYBKUMZVYMJE-CQSZACIVSA-N 0 3 325.796 2.247 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598262850 468810983 /nfs/dbraw/zinc/81/09/83/468810983.db2.gz MSTXTUHWCUDKPJ-HNNXBMFYSA-N 0 3 348.447 2.268 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000602834141 469106605 /nfs/dbraw/zinc/10/66/05/469106605.db2.gz QXWINWXJGRBZNI-INIZCTEOSA-N 0 3 341.415 2.237 20 5 EEBDHN Cn1cc(CN(CCCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611271623 469215602 /nfs/dbraw/zinc/21/56/02/469215602.db2.gz VPVXSLFAWRQDHR-UHFFFAOYSA-N 0 3 330.388 2.342 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1Cn1cc(CCN2CCCCC2)nn1 ZINC000603199861 469307191 /nfs/dbraw/zinc/30/71/91/469307191.db2.gz KRGJUYRVYFPBJG-UHFFFAOYSA-N 0 3 333.367 2.402 20 5 EEBDHN CO[C@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000602454838 469323599 /nfs/dbraw/zinc/32/35/99/469323599.db2.gz RCQSFNOOAFVHJK-GOSISDBHSA-N 0 3 349.431 2.158 20 5 EEBDHN Cc1cc(NCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611925109 469345997 /nfs/dbraw/zinc/34/59/97/469345997.db2.gz JZIQAVHKAFRHMN-CYBMUJFWSA-N 0 3 331.372 2.338 20 5 EEBDHN CNC(=O)C(C)(C)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573891 469367582 /nfs/dbraw/zinc/36/75/82/469367582.db2.gz ABPAHMPXGIKDII-UHFFFAOYSA-N 0 3 333.310 2.475 20 5 EEBDHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748775 469791647 /nfs/dbraw/zinc/79/16/47/469791647.db2.gz CTXLYROMEAXPPE-GUYCJALGSA-N 0 3 347.415 2.068 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@H]4CCCOC4)CC3)nc2c1 ZINC000614185848 469873582 /nfs/dbraw/zinc/87/35/82/469873582.db2.gz PADXNJIAWRMVCS-AWEZNQCLSA-N 0 3 345.403 2.162 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000609147420 469896598 /nfs/dbraw/zinc/89/65/98/469896598.db2.gz CWBOIUOJBTWYBB-CQSZACIVSA-N 0 3 337.395 2.421 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451773937 535547313 /nfs/dbraw/zinc/54/73/13/535547313.db2.gz NTCDOTPWHUOBFU-GLQYFDAESA-N 0 3 349.387 2.243 20 5 EEBDHN CCN1CCC(N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771508646 577216430 /nfs/dbraw/zinc/21/64/30/577216430.db2.gz JHLRYXSTKKCYCW-UHFFFAOYSA-N 0 3 349.416 2.156 20 5 EEBDHN Cc1noc([C@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579510 577463077 /nfs/dbraw/zinc/46/30/77/577463077.db2.gz MCACGCIJNKJHOL-ZFWWWQNUSA-N 0 3 332.360 2.199 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887253 577564990 /nfs/dbraw/zinc/56/49/90/577564990.db2.gz IYFDUAGHBODBGL-SNVBAGLBSA-N 0 3 347.462 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCN2CCc3sccc3C2)c1 ZINC000749684301 577979900 /nfs/dbraw/zinc/97/99/00/577979900.db2.gz AWWUAABVKPZXDI-MRXNPFEDSA-N 0 3 347.440 2.338 20 5 EEBDHN COCCOc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749688267 577980020 /nfs/dbraw/zinc/98/00/20/577980020.db2.gz KLJAQEGCVOKGIR-QGZVFWFLSA-N 0 3 346.383 2.443 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001020803412 675503335 /nfs/dbraw/zinc/50/33/35/675503335.db2.gz FIPCZEZUOKRNOU-HAQNSBGRSA-N 0 3 332.385 2.102 20 5 EEBDHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001021850553 676520369 /nfs/dbraw/zinc/52/03/69/676520369.db2.gz JJMSPKLSBZTYGI-OKILXGFUSA-N 0 3 341.367 2.351 20 5 EEBDHN Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021949082 676559229 /nfs/dbraw/zinc/55/92/29/676559229.db2.gz GMORRYSQODPQGZ-OKILXGFUSA-N 0 3 328.372 2.282 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001059272186 683867152 /nfs/dbraw/zinc/86/71/52/683867152.db2.gz QOWBBWNACHKVNR-XYPYZODXSA-N 0 3 347.350 2.067 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnn1CCN(C)C ZINC000899937355 693931445 /nfs/dbraw/zinc/93/14/45/693931445.db2.gz PGXOPZJBVIJVGX-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C2(C)CCC2)CC1 ZINC001034709383 1196593565 /nfs/dbraw/zinc/59/35/65/1196593565.db2.gz FMXFDZLIAYTAJE-JOCQHMNTSA-N 0 3 349.435 2.036 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCS(=O)(=O)C1 ZINC000872019123 1198026805 /nfs/dbraw/zinc/02/68/05/1198026805.db2.gz SXNUPNQSTMYBCN-QWRGUYRKSA-N 0 3 344.458 2.402 20 5 EEBDHN CC(COC(=O)c1ccc(CSc2nccn2C)o1)[N+](=O)[O-] ZINC000813110998 1201121693 /nfs/dbraw/zinc/12/16/93/1201121693.db2.gz NYASLOAKVHBBMK-SECBINFHSA-N 0 3 325.346 2.127 20 5 EEBDHN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111820 1201123169 /nfs/dbraw/zinc/12/31/69/1201123169.db2.gz AHYSZLGHDXHCKU-RYUDHWBXSA-N 0 3 340.401 2.264 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cn2ccnc2)c2ccccc2)n1 ZINC000880569257 1201525192 /nfs/dbraw/zinc/52/51/92/1201525192.db2.gz KGAVBRCHFXBOFI-HNNXBMFYSA-N 0 3 326.360 2.019 20 5 EEBDHN COc1ccc(CN(CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000880572417 1201526735 /nfs/dbraw/zinc/52/67/35/1201526735.db2.gz QZFIFDAZGLDFAM-GOSISDBHSA-N 0 3 346.383 2.131 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890082381 1204780440 /nfs/dbraw/zinc/78/04/40/1204780440.db2.gz VCBUKEFPTFLKBM-UHFFFAOYSA-N 0 3 334.420 2.123 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095415477 1205710073 /nfs/dbraw/zinc/71/00/73/1205710073.db2.gz FBDHXCLRWVMJDH-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccccc2C)C1 ZINC000950056187 1210001620 /nfs/dbraw/zinc/00/16/20/1210001620.db2.gz WERSTNVJECXLNZ-QZTJIDSGSA-N 0 3 345.443 2.126 20 5 EEBDHN CN(CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001057446233 1243801028 /nfs/dbraw/zinc/80/10/28/1243801028.db2.gz FXXKGHBKZOEWJR-UHFFFAOYSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001068510314 1251203558 /nfs/dbraw/zinc/20/35/58/1251203558.db2.gz ALZBXVBVQXAONA-MQMHXKEQSA-N 0 3 343.387 2.176 20 5 EEBDHN N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979034 1297889819 /nfs/dbraw/zinc/88/98/19/1297889819.db2.gz GZWAWKVOKAECPV-AWEZNQCLSA-N 0 3 332.367 2.015 20 5 EEBDHN N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979034 1297889826 /nfs/dbraw/zinc/88/98/26/1297889826.db2.gz GZWAWKVOKAECPV-AWEZNQCLSA-N 0 3 332.367 2.015 20 5 EEBDHN Cc1cc(NCCS(=O)(=O)CC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782960222 1304163322 /nfs/dbraw/zinc/16/33/22/1304163322.db2.gz PSLLTDSVBUQAGR-UHFFFAOYSA-N 0 3 349.412 2.110 20 5 EEBDHN Cc1noc(C)c1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001233812398 1304601202 /nfs/dbraw/zinc/60/12/02/1304601202.db2.gz LVWRVVBKJIOHLX-UHFFFAOYSA-N 0 3 346.387 2.452 20 5 EEBDHN COCCN1CCC(Oc2ccc(CC[N+](=O)[O-])cc2OC)CC1 ZINC001233985578 1304669412 /nfs/dbraw/zinc/66/94/12/1304669412.db2.gz BLFRTIRWFQXISO-UHFFFAOYSA-N 0 3 338.404 2.004 20 5 EEBDHN O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc4c(n3)CCNC4)no2)o1 ZINC001247230637 1310552674 /nfs/dbraw/zinc/55/26/74/1310552674.db2.gz PNOZHNWBEBLFOI-GORDUTHDSA-N 0 3 339.311 2.449 20 5 EEBDHN Cc1noc(C)c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154528311 1317185077 /nfs/dbraw/zinc/18/50/77/1317185077.db2.gz SBLHDOPADZSRRZ-UHFFFAOYSA-N 0 3 332.360 2.109 20 5 EEBDHN O=C(CCc1ccoc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156394602 1317993299 /nfs/dbraw/zinc/99/32/99/1317993299.db2.gz TXKJSHBGPPDLCD-UHFFFAOYSA-N 0 3 337.401 2.478 20 5 EEBDHN O=C(NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254600978 1318139895 /nfs/dbraw/zinc/13/98/95/1318139895.db2.gz TVFLFQFGXYDMLT-SFHVURJKSA-N 0 3 343.427 2.443 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3cnccn3)CC1)C2 ZINC001254606441 1318141696 /nfs/dbraw/zinc/14/16/96/1318141696.db2.gz GILMIECXDHODCQ-INIZCTEOSA-N 0 3 340.383 2.395 20 5 EEBDHN Cc1nccnc1O[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612046 1318145233 /nfs/dbraw/zinc/14/52/33/1318145233.db2.gz URGCXCQMYJXVTM-SJORKVTESA-N 0 3 340.383 2.314 20 5 EEBDHN COc1cc(N2CCC(NCc3ccno3)CC2)ccc1[N+](=O)[O-] ZINC001256083199 1318642189 /nfs/dbraw/zinc/64/21/89/1318642189.db2.gz NHZQYBCUGUTRQX-UHFFFAOYSA-N 0 3 332.360 2.350 20 5 EEBDHN CCc1cncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001162622018 1320913998 /nfs/dbraw/zinc/91/39/98/1320913998.db2.gz DUMSSWBNBLJSDO-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN O=C(CCc1ccccn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001163816359 1321224520 /nfs/dbraw/zinc/22/45/20/1321224520.db2.gz RMXDDBCWHKNCJO-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2cnc3c2CNCC3)c1 ZINC001164317581 1321349632 /nfs/dbraw/zinc/34/96/32/1321349632.db2.gz UXQICHDQRFSZJC-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4NCCO[C@H]4C3)ccc21 ZINC001165270705 1321488036 /nfs/dbraw/zinc/48/80/36/1321488036.db2.gz KJHGQJIFXXNVIB-KBPBESRZSA-N 0 3 348.790 2.364 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1conc1C1CC1 ZINC001166432790 1321719107 /nfs/dbraw/zinc/71/91/07/1321719107.db2.gz OGWYYUGJZVRAGY-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CC([C@H](OC(=O)Cn1cc(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC001263518977 1322487020 /nfs/dbraw/zinc/48/70/20/1322487020.db2.gz AEHIGUJPDGLOJR-QFYYESIMSA-N 0 3 348.334 2.244 20 5 EEBDHN CC([C@@H](OC(=O)Cn1cc(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC001263518978 1322487319 /nfs/dbraw/zinc/48/73/19/1322487319.db2.gz AEHIGUJPDGLOJR-QLJPJBMISA-N 0 3 348.334 2.244 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CCNC3=S)o2)c1 ZINC001308557493 1331598040 /nfs/dbraw/zinc/59/80/40/1331598040.db2.gz MZKORYNWOHUBRO-UHFFFAOYSA-N 0 3 346.412 2.135 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCCC[C@H]1C ZINC001609165094 1351871952 /nfs/dbraw/zinc/87/19/52/1351871952.db2.gz DALREVFHDVRJBR-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCCC[C@H]1C ZINC001609165094 1351871954 /nfs/dbraw/zinc/87/19/54/1351871954.db2.gz DALREVFHDVRJBR-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCCC[C@H]1C ZINC001609165094 1351871957 /nfs/dbraw/zinc/87/19/57/1351871957.db2.gz DALREVFHDVRJBR-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCCC[C@H]1C ZINC001609165094 1351871958 /nfs/dbraw/zinc/87/19/58/1351871958.db2.gz DALREVFHDVRJBR-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001332994186 1335944321 /nfs/dbraw/zinc/94/43/21/1335944321.db2.gz OWIQOBRDYXJEBC-AWEZNQCLSA-N 0 3 340.383 2.081 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590513155 1349361767 /nfs/dbraw/zinc/36/17/67/1349361767.db2.gz ONKAZCFDVSLKFM-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590513155 1349361775 /nfs/dbraw/zinc/36/17/75/1349361775.db2.gz ONKAZCFDVSLKFM-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590513155 1349361781 /nfs/dbraw/zinc/36/17/81/1349361781.db2.gz ONKAZCFDVSLKFM-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590513155 1349361789 /nfs/dbraw/zinc/36/17/89/1349361789.db2.gz ONKAZCFDVSLKFM-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603077601 1350634196 /nfs/dbraw/zinc/63/41/96/1350634196.db2.gz FPJYMLGBLIHVMF-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603077601 1350634202 /nfs/dbraw/zinc/63/42/02/1350634202.db2.gz FPJYMLGBLIHVMF-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603077601 1350634208 /nfs/dbraw/zinc/63/42/08/1350634208.db2.gz FPJYMLGBLIHVMF-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603077601 1350634212 /nfs/dbraw/zinc/63/42/12/1350634212.db2.gz FPJYMLGBLIHVMF-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN COC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605073283 1351073163 /nfs/dbraw/zinc/07/31/63/1351073163.db2.gz XKPMDXABNPGQAC-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605073283 1351073166 /nfs/dbraw/zinc/07/31/66/1351073166.db2.gz XKPMDXABNPGQAC-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN CC(C)(C[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562883 1372336201 /nfs/dbraw/zinc/33/62/01/1372336201.db2.gz ATPZBUGDOBAOTR-CZUORRHYSA-N 0 3 349.431 2.242 20 5 EEBDHN CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000892471837 761377071 /nfs/dbraw/zinc/37/70/71/761377071.db2.gz QXOCCUATSLSVBG-ZDUSSCGKSA-N 0 3 342.399 2.120 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082827 785394798 /nfs/dbraw/zinc/39/47/98/785394798.db2.gz SPDBSNIVJNLKIO-DOTOQJQBSA-N 0 3 328.372 2.394 20 5 EEBDHN CCc1nn(C)c(CC)c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190826 785455838 /nfs/dbraw/zinc/45/58/38/785455838.db2.gz LAJYWTNBGZBRMI-QGZVFWFLSA-N 0 3 332.404 2.276 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878490 789972379 /nfs/dbraw/zinc/97/23/79/789972379.db2.gz GZEVYPWLIVKTIR-MEDUHNTESA-N 0 3 335.335 2.442 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172912142 791791202 /nfs/dbraw/zinc/79/12/02/791791202.db2.gz LQHDRZNTBWYBFM-OAHLLOKOSA-N 0 3 344.419 2.083 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H](O)C(F)(F)F)c1F ZINC001173178133 797277886 /nfs/dbraw/zinc/27/78/86/797277886.db2.gz AIUFIFSLHOVXQC-CPCISQLKSA-N 0 3 340.273 2.186 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001086040350 801990773 /nfs/dbraw/zinc/99/07/73/801990773.db2.gz DLFIDICZXBIQED-AKAXFMLLSA-N 0 3 345.399 2.274 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109463706 805504760 /nfs/dbraw/zinc/50/47/60/805504760.db2.gz UHGPRMUPBBDFPZ-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN CC(C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)N1CCCC1 ZINC001170158428 809363297 /nfs/dbraw/zinc/36/32/97/809363297.db2.gz WYPSTDZRTBAFGX-INIZCTEOSA-N 0 3 332.404 2.257 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001130920587 812202937 /nfs/dbraw/zinc/20/29/37/812202937.db2.gz XBXQQNQWLHTKLN-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001515987497 1118992682 /nfs/dbraw/zinc/99/26/82/1118992682.db2.gz HVOWUOOHPUQUKF-LBPRGKRZSA-N 0 3 348.403 2.230 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000104186113 219356967 /nfs/dbraw/zinc/35/69/67/219356967.db2.gz RPZQHOTXQQKDBK-NSHDSACASA-N 0 3 346.412 2.400 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814043 234334100 /nfs/dbraw/zinc/33/41/00/234334100.db2.gz CDRGPSYXIOMNAK-UKRRQHHQSA-N 0 3 338.404 2.110 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425049110 241106423 /nfs/dbraw/zinc/10/64/23/241106423.db2.gz DOWOYMACPNYGOB-XHDPSFHLSA-N 0 3 335.429 2.483 20 5 EEBDHN CN(C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000439140080 242065042 /nfs/dbraw/zinc/06/50/42/242065042.db2.gz YNGTXSFKWVJNPM-OAHLLOKOSA-N 0 3 328.372 2.409 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452062282 243341177 /nfs/dbraw/zinc/34/11/77/243341177.db2.gz RPRDZHPUXAWSCM-CQSZACIVSA-N 0 3 336.417 2.346 20 5 EEBDHN O=C(CN1CC[C@H](N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264599312 246679651 /nfs/dbraw/zinc/67/96/51/246679651.db2.gz NEZQAOIXAMJFAC-AWEZNQCLSA-N 0 3 332.404 2.094 20 5 EEBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000176951152 285079808 /nfs/dbraw/zinc/07/98/08/285079808.db2.gz WKAJMWJETGVUIA-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373438 256128667 /nfs/dbraw/zinc/12/86/67/256128667.db2.gz NHSUZTZFJGENMG-PIGZYNQJSA-N 0 3 342.399 2.218 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000270644564 256156231 /nfs/dbraw/zinc/15/62/31/256156231.db2.gz ADAIAKAHVWOTLG-LLVKDONJSA-N 0 3 341.433 2.013 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N(C)C ZINC000271178771 256216747 /nfs/dbraw/zinc/21/67/47/256216747.db2.gz UHLCOFHFXYMFRI-IUODEOHRSA-N 0 3 349.412 2.459 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000271725246 256238029 /nfs/dbraw/zinc/23/80/29/256238029.db2.gz RBKVJSUDQHZRTC-HUUCEWRRSA-N 0 3 326.418 2.083 20 5 EEBDHN CCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119197268 221264311 /nfs/dbraw/zinc/26/43/11/221264311.db2.gz XLAZPBYFTFIVGA-UHFFFAOYSA-N 0 3 330.182 2.039 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000189565947 533520801 /nfs/dbraw/zinc/52/08/01/533520801.db2.gz JNLBCPVNNKUWAS-UKRRQHHQSA-N 0 3 347.415 2.468 20 5 EEBDHN COc1cc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)ccc1O ZINC000089973623 292215499 /nfs/dbraw/zinc/21/54/99/292215499.db2.gz CDPZOTUKIFCSKT-UHFFFAOYSA-N 0 3 332.360 2.170 20 5 EEBDHN Cc1ccccc1OCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518872 292218878 /nfs/dbraw/zinc/21/88/78/292218878.db2.gz BLYSKQHQCMYCER-UHFFFAOYSA-N 0 3 345.399 2.466 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374306331 154042535 /nfs/dbraw/zinc/04/25/35/154042535.db2.gz DFTRNPGUTZMACY-MSOLQXFVSA-N 0 3 339.395 2.351 20 5 EEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312059 154045170 /nfs/dbraw/zinc/04/51/70/154045170.db2.gz QLWAULYKNQNAOV-GDBMZVCRSA-N 0 3 348.447 2.066 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107600642 159333293 /nfs/dbraw/zinc/33/32/93/159333293.db2.gz MNCLQUQLRXZATI-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN CCc1cc(N[C@H](C)CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343795847 161169018 /nfs/dbraw/zinc/16/90/18/161169018.db2.gz RRXPCIACEJMLAN-GFCCVEGCSA-N 0 3 329.404 2.398 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000344120982 161200128 /nfs/dbraw/zinc/20/01/28/161200128.db2.gz SBHGJOGXLDTDGO-XOKHGSTOSA-N 0 3 347.415 2.340 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474670 161231541 /nfs/dbraw/zinc/23/15/41/161231541.db2.gz XPMCCNQELKKVOY-MSQAHXEGSA-N 0 3 347.415 2.349 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360227567 164262961 /nfs/dbraw/zinc/26/29/61/164262961.db2.gz LQGXVXUKHILFOE-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364091259 165019828 /nfs/dbraw/zinc/01/98/28/165019828.db2.gz RIGIMQHSWUSMTR-ZIAGYGMSSA-N 0 3 348.403 2.196 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3ccco3)C2)c1 ZINC000374004081 167001929 /nfs/dbraw/zinc/00/19/29/167001929.db2.gz UXXDMOZFQPBCFB-DZGCQCFKSA-N 0 3 332.356 2.417 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376407558 167319935 /nfs/dbraw/zinc/31/99/35/167319935.db2.gz MQFLUGTZCIVDBY-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275119961 269096157 /nfs/dbraw/zinc/09/61/57/269096157.db2.gz HACFHFDWHGUQCR-LBPRGKRZSA-N 0 3 345.321 2.404 20 5 EEBDHN COc1cc(CNC2(CO)CCSCC2)c([N+](=O)[O-])cc1F ZINC000459687851 274094039 /nfs/dbraw/zinc/09/40/39/274094039.db2.gz BVZIJAIRODFIFI-UHFFFAOYSA-N 0 3 330.381 2.090 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271787483 274152212 /nfs/dbraw/zinc/15/22/12/274152212.db2.gz KXKJEYMNKUBFFM-VXGBXAGGSA-N 0 3 343.836 2.366 20 5 EEBDHN COCCOCCOCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274403739 274193103 /nfs/dbraw/zinc/19/31/03/274193103.db2.gz NGQOKMNTCQFSLD-UHFFFAOYSA-N 0 3 346.811 2.408 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987406 274824708 /nfs/dbraw/zinc/82/47/08/274824708.db2.gz XNLAIQWMXQJWAD-WCQYABFASA-N 0 3 347.371 2.022 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286494797 274877849 /nfs/dbraw/zinc/87/78/49/274877849.db2.gz RQKZXPRTOTYGAJ-GXTWGEPZSA-N 0 3 348.403 2.230 20 5 EEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952475 274921280 /nfs/dbraw/zinc/92/12/80/274921280.db2.gz FOZRXAVCPUHJFR-IAQYHMDHSA-N 0 3 348.359 2.202 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000288395913 275054024 /nfs/dbraw/zinc/05/40/24/275054024.db2.gz MQLUUEPCGFPNBQ-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000289581673 275129699 /nfs/dbraw/zinc/12/96/99/275129699.db2.gz QGZYJTGFJIHLQS-CYBMUJFWSA-N 0 3 343.449 2.135 20 5 EEBDHN COCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000291390752 275300841 /nfs/dbraw/zinc/30/08/41/275300841.db2.gz GLELDMLCUKAZBO-UHFFFAOYSA-N 0 3 349.431 2.097 20 5 EEBDHN C[C@@H](c1ccccc1)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270810 275404498 /nfs/dbraw/zinc/40/44/98/275404498.db2.gz SDROUOFKQPWSAV-GUYCJALGSA-N 0 3 343.383 2.221 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367059732 281260391 /nfs/dbraw/zinc/26/03/91/281260391.db2.gz JZCVHHKCHVHGRH-HOTGVXAUSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C ZINC000355000204 281360613 /nfs/dbraw/zinc/36/06/13/281360613.db2.gz MZQWYTYASMEZJT-IAQYHMDHSA-N 0 3 331.376 2.048 20 5 EEBDHN CNC(=O)NC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000414539453 290500762 /nfs/dbraw/zinc/50/07/62/290500762.db2.gz DRMGKCWFFSPSHQ-RAXLEYEMSA-N 0 3 332.404 2.392 20 5 EEBDHN COC(=O)Cc1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000296654712 294031513 /nfs/dbraw/zinc/03/15/13/294031513.db2.gz XROBNKOUNBSBOT-UHFFFAOYSA-N 0 3 347.415 2.375 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000332488973 312015045 /nfs/dbraw/zinc/01/50/45/312015045.db2.gz ODHCXERDXVXJES-GOEBONIOSA-N 0 3 346.431 2.400 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413204288 312820431 /nfs/dbraw/zinc/82/04/31/312820431.db2.gz XPUVJZXUUVWBDM-NSHDSACASA-N 0 3 348.325 2.166 20 5 EEBDHN Cc1nc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000425274349 314370593 /nfs/dbraw/zinc/37/05/93/314370593.db2.gz LKFJZLLAAHZWAL-DOTOQJQBSA-N 0 3 339.399 2.404 20 5 EEBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000451847662 315455986 /nfs/dbraw/zinc/45/59/86/315455986.db2.gz STGWMIHKIRUFGG-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](N2CCCC2)C1 ZINC000536478861 317996800 /nfs/dbraw/zinc/99/68/00/317996800.db2.gz XGQHWAYTLCYCNL-GFCCVEGCSA-N 0 3 328.372 2.386 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000542882275 318146490 /nfs/dbraw/zinc/14/64/90/318146490.db2.gz WLPXXGRVLHYAPB-CYBMUJFWSA-N 0 3 344.293 2.133 20 5 EEBDHN NC(=O)C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000181920673 323359645 /nfs/dbraw/zinc/35/96/45/323359645.db2.gz HSXHMRFKTBZMLG-ZDUSSCGKSA-N 0 3 341.795 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c2ncccc12 ZINC000325775403 465029983 /nfs/dbraw/zinc/02/99/83/465029983.db2.gz DDGBFLXLIFWIAZ-STQMWFEESA-N 0 3 328.372 2.418 20 5 EEBDHN Cc1c(CNC(=O)[C@@H]2CNCc3ccccc32)cccc1[N+](=O)[O-] ZINC000326338950 465037397 /nfs/dbraw/zinc/03/73/97/465037397.db2.gz AHPFCKOAJUFZMQ-MRXNPFEDSA-N 0 3 325.368 2.406 20 5 EEBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN(C2CC2)C1 ZINC000296166966 465101129 /nfs/dbraw/zinc/10/11/29/465101129.db2.gz WYJHIYVCCZVZFI-ZDUSSCGKSA-N 0 3 347.415 2.377 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3ccccc3CO)CC2)c1 ZINC000347646129 465146376 /nfs/dbraw/zinc/14/63/76/465146376.db2.gz NPGDSVKDWNOLOM-UHFFFAOYSA-N 0 3 344.415 2.238 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000085455789 462547700 /nfs/dbraw/zinc/54/77/00/462547700.db2.gz AEAXLMQJKUWNQU-VXGBXAGGSA-N 0 3 341.433 2.276 20 5 EEBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000127822517 462586546 /nfs/dbraw/zinc/58/65/46/462586546.db2.gz BWZNLCFFQGHRCR-QGZVFWFLSA-N 0 3 329.400 2.354 20 5 EEBDHN Cc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000064334450 462695612 /nfs/dbraw/zinc/69/56/12/462695612.db2.gz NQCSUQSREXWYLS-UHFFFAOYSA-N 0 3 343.387 2.021 20 5 EEBDHN CC(C)N(CCC(=O)N1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350830 462696725 /nfs/dbraw/zinc/69/67/25/462696725.db2.gz QDFMGJALAWBVFN-UHFFFAOYSA-N 0 3 335.404 2.054 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000046953363 462725828 /nfs/dbraw/zinc/72/58/28/462725828.db2.gz POOOCLLIJUDFIT-KBPBESRZSA-N 0 3 335.404 2.210 20 5 EEBDHN CN1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091482700 462883890 /nfs/dbraw/zinc/88/38/90/462883890.db2.gz UEHOGBOLVOKDOE-LBPRGKRZSA-N 0 3 332.404 2.241 20 5 EEBDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969842 462980621 /nfs/dbraw/zinc/98/06/21/462980621.db2.gz AIMQNDBLVYSWRH-CQSZACIVSA-N 0 3 334.420 2.195 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000156142587 462985563 /nfs/dbraw/zinc/98/55/63/462985563.db2.gz KJIFOHPLCXGJRA-ZDUSSCGKSA-N 0 3 334.376 2.305 20 5 EEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N(C)C ZINC000156217072 462993898 /nfs/dbraw/zinc/99/38/98/462993898.db2.gz DERDALQDRIVQBS-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN COc1cccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000026712066 463168859 /nfs/dbraw/zinc/16/88/59/463168859.db2.gz TWAULZNWDPSHAW-INIZCTEOSA-N 0 3 346.383 2.475 20 5 EEBDHN CNC(=O)c1ccc(N[C@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981124 463273731 /nfs/dbraw/zinc/27/37/31/463273731.db2.gz RYLPUHVSRNHMDA-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164174681 463616912 /nfs/dbraw/zinc/61/69/12/463616912.db2.gz BLVCZGCBHZUDFQ-DOMZBBRYSA-N 0 3 333.388 2.160 20 5 EEBDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000109806987 463651338 /nfs/dbraw/zinc/65/13/38/463651338.db2.gz GVLJZWFXETUBGX-GFCCVEGCSA-N 0 3 340.811 2.213 20 5 EEBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H](N4CCCC4)C3)cc2N1 ZINC000170710250 463698702 /nfs/dbraw/zinc/69/87/02/463698702.db2.gz GPCUSRIMTIESQQ-CYBMUJFWSA-N 0 3 330.388 2.154 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)cc1F)c1c([N+](=O)[O-])ncn1C ZINC000268331381 463708023 /nfs/dbraw/zinc/70/80/23/463708023.db2.gz PYAHZWXXVSMFIU-UHFFFAOYSA-N 0 3 339.346 2.175 20 5 EEBDHN C[C@@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872871 463792742 /nfs/dbraw/zinc/79/27/42/463792742.db2.gz UXFCQHPAEAYNEW-PBHICJAKSA-N 0 3 348.447 2.188 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000261669237 463822416 /nfs/dbraw/zinc/82/24/16/463822416.db2.gz LNKCOFWBWXSICC-QGZVFWFLSA-N 0 3 325.368 2.141 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287217261 463837930 /nfs/dbraw/zinc/83/79/30/463837930.db2.gz QBKZUXMZLRUPOT-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1nn(CCC(=O)Nc2ccc3c(c2)CNCC3)c(C)c1[N+](=O)[O-] ZINC000269221924 463915047 /nfs/dbraw/zinc/91/50/47/463915047.db2.gz RYXOFROUBYTVKC-UHFFFAOYSA-N 0 3 343.387 2.083 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000262232421 463978694 /nfs/dbraw/zinc/97/86/94/463978694.db2.gz OBADAOLMRCJOAC-HNNXBMFYSA-N 0 3 341.367 2.220 20 5 EEBDHN CCCNC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269619499 464037147 /nfs/dbraw/zinc/03/71/47/464037147.db2.gz AHUCFJVHVZTWAK-INIZCTEOSA-N 0 3 349.431 2.447 20 5 EEBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180563733 464337115 /nfs/dbraw/zinc/33/71/15/464337115.db2.gz OCGNSVMPPDDPQD-GFCCVEGCSA-N 0 3 349.435 2.202 20 5 EEBDHN Nc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264506638 464353162 /nfs/dbraw/zinc/35/31/62/464353162.db2.gz LADKIWHMKAUDAJ-LBPRGKRZSA-N 0 3 336.367 2.017 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000175266936 464515597 /nfs/dbraw/zinc/51/55/97/464515597.db2.gz WESXZPPZGIJNTO-OAHLLOKOSA-N 0 3 349.431 2.148 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272226269 464526063 /nfs/dbraw/zinc/52/60/63/464526063.db2.gz CWXXDBQLIIYURN-FZMZJTMJSA-N 0 3 334.376 2.161 20 5 EEBDHN COc1cc(CN[C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381327 464585820 /nfs/dbraw/zinc/58/58/20/464585820.db2.gz HQRZLIBRQKQOIM-JTQLQIEISA-N 0 3 348.346 2.498 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnnn1CCN(C)C ZINC000351829178 465386818 /nfs/dbraw/zinc/38/68/18/465386818.db2.gz LYTSMXQLJBHENZ-LLVKDONJSA-N 0 3 336.421 2.305 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932791 465397465 /nfs/dbraw/zinc/39/74/65/465397465.db2.gz GUYXHVDVHOHSNR-SMDDNHRTSA-N 0 3 330.388 2.488 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934789 465399438 /nfs/dbraw/zinc/39/94/38/465399438.db2.gz OAGIZOWNWPYDAU-IINYFYTJSA-N 0 3 328.372 2.289 20 5 EEBDHN CC[C@@H](C)N[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000359566988 465459923 /nfs/dbraw/zinc/45/99/23/465459923.db2.gz WFEODCMMPVDROP-ZYHUDNBSSA-N 0 3 349.391 2.089 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343477494 465518702 /nfs/dbraw/zinc/51/87/02/465518702.db2.gz CRHLFZIMMVWNQW-HIFRSBDPSA-N 0 3 346.431 2.408 20 5 EEBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298889152 465533233 /nfs/dbraw/zinc/53/32/33/465533233.db2.gz UTNNPNXASCDLQM-HNNXBMFYSA-N 0 3 328.372 2.490 20 5 EEBDHN Cc1cnccc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579947353 468439436 /nfs/dbraw/zinc/43/94/36/468439436.db2.gz HQMDEGQCUWSYJG-HNNXBMFYSA-N 0 3 327.388 2.422 20 5 EEBDHN CNc1c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179105 465819144 /nfs/dbraw/zinc/81/91/44/465819144.db2.gz OVBJKPHKOLXNSS-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000346169433 465957330 /nfs/dbraw/zinc/95/73/30/465957330.db2.gz UYSUGZNIBLJQLL-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN CCOc1cc(N2CC[C@H](N3CCN(CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000301566639 465987626 /nfs/dbraw/zinc/98/76/26/465987626.db2.gz ZHPAARGFLMDNEI-INIZCTEOSA-N 0 3 348.447 2.210 20 5 EEBDHN CC1CCN(C[C@H](O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301760589 466027462 /nfs/dbraw/zinc/02/74/62/466027462.db2.gz BFQIHEWJZJKZCV-GFCCVEGCSA-N 0 3 329.347 2.378 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000303039694 466218968 /nfs/dbraw/zinc/21/89/68/466218968.db2.gz RYQGZQYSQOJDQB-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1C ZINC000349805320 466249690 /nfs/dbraw/zinc/24/96/90/466249690.db2.gz XCVQGJAASNTQCR-CYBMUJFWSA-N 0 3 343.449 2.219 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000357861584 466270003 /nfs/dbraw/zinc/27/00/03/466270003.db2.gz IQCHKWKBDRSLBD-DOMZBBRYSA-N 0 3 345.403 2.058 20 5 EEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107973 466392377 /nfs/dbraw/zinc/39/23/77/466392377.db2.gz FIOADDGUEPOQMB-GASCZTMLSA-N 0 3 346.431 2.116 20 5 EEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000591685936 468503035 /nfs/dbraw/zinc/50/30/35/468503035.db2.gz BGNYOAIOZQCLHV-UWVGGRQHSA-N 0 3 347.799 2.157 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000374727104 466726569 /nfs/dbraw/zinc/72/65/69/466726569.db2.gz AXOFZXZOMZGKJG-AWEZNQCLSA-N 0 3 326.360 2.088 20 5 EEBDHN Cc1c(CC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000423618863 466786912 /nfs/dbraw/zinc/78/69/12/466786912.db2.gz ZDOHWWITTRFQAT-DLBZAZTESA-N 0 3 339.395 2.399 20 5 EEBDHN COc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000375375991 466838561 /nfs/dbraw/zinc/83/85/61/466838561.db2.gz AQDPELFYYPFEHF-HUUCEWRRSA-N 0 3 348.447 2.066 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365848179 466961987 /nfs/dbraw/zinc/96/19/87/466961987.db2.gz NIBHLAPSIKVOJG-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108083 467013225 /nfs/dbraw/zinc/01/32/25/467013225.db2.gz HFMFDQYLGHLMAI-RRQGHBQHSA-N 0 3 331.416 2.499 20 5 EEBDHN CCCCN(C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412106186 467013920 /nfs/dbraw/zinc/01/39/20/467013920.db2.gz GVSJGKSBOOSWPN-UHFFFAOYSA-N 0 3 341.383 2.133 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000377132151 467036997 /nfs/dbraw/zinc/03/69/97/467036997.db2.gz WPQUAAYOPGZPTG-BZUAXINKSA-N 0 3 342.399 2.333 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000377658936 467108718 /nfs/dbraw/zinc/10/87/18/467108718.db2.gz LCYYVYLZBJXPEJ-KRWDZBQOSA-N 0 3 328.372 2.261 20 5 EEBDHN Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976550 467292466 /nfs/dbraw/zinc/29/24/66/467292466.db2.gz YORXCMMQYZHUNR-RDJZCZTQSA-N 0 3 348.378 2.437 20 5 EEBDHN CN(C)[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448749924 467599875 /nfs/dbraw/zinc/59/98/75/467599875.db2.gz OZAOETMSIPHIPS-HNNXBMFYSA-N 0 3 333.388 2.014 20 5 EEBDHN CCOc1cc(CN(C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000492583532 467678465 /nfs/dbraw/zinc/67/84/65/467678465.db2.gz PUEUUMSLUHJJRG-HNNXBMFYSA-N 0 3 335.404 2.294 20 5 EEBDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487956548 468063308 /nfs/dbraw/zinc/06/33/08/468063308.db2.gz LTPLRJJNDNSSPB-CJNGLKHVSA-N 0 3 334.420 2.194 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000590347929 468239092 /nfs/dbraw/zinc/23/90/92/468239092.db2.gz MZTRPDAGTFRNDU-UHFFFAOYSA-N 0 3 332.404 2.246 20 5 EEBDHN CN(CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594194936 468507879 /nfs/dbraw/zinc/50/78/79/468507879.db2.gz BGCMRASWHURTNS-HUUCEWRRSA-N 0 3 346.431 2.164 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594201138 468510703 /nfs/dbraw/zinc/51/07/03/468510703.db2.gz NZCLNSHXLJUQEW-HZPDHXFCSA-N 0 3 333.388 2.107 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC(F)(F)C2)cc1 ZINC000591754400 468515125 /nfs/dbraw/zinc/51/51/25/468515125.db2.gz JCERXICLJOEJLU-SNVBAGLBSA-N 0 3 334.344 2.146 20 5 EEBDHN Cc1c(CNC(=O)C2(N)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000592562390 468729963 /nfs/dbraw/zinc/72/99/63/468729963.db2.gz FSSLQVLYQQPFFD-UHFFFAOYSA-N 0 3 325.368 2.016 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598589786 468925430 /nfs/dbraw/zinc/92/54/30/468925430.db2.gz JNIWZUKAJSJIQH-NEPJUHHUSA-N 0 3 336.392 2.451 20 5 EEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCNC2 ZINC000595923416 469085306 /nfs/dbraw/zinc/08/53/06/469085306.db2.gz TXWXZBKINGUGNQ-UHFFFAOYSA-N 0 3 347.396 2.111 20 5 EEBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000573315481 469103927 /nfs/dbraw/zinc/10/39/27/469103927.db2.gz LSHUYGQRENKLCH-ZDUSSCGKSA-N 0 3 333.388 2.158 20 5 EEBDHN CCn1nccc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596092458 469152394 /nfs/dbraw/zinc/15/23/94/469152394.db2.gz ALPHKSNCNMYHMU-GFCCVEGCSA-N 0 3 331.376 2.318 20 5 EEBDHN N[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000573941839 469235718 /nfs/dbraw/zinc/23/57/18/469235718.db2.gz ZWLZSDGDYLVLFM-DLBZAZTESA-N 0 3 340.383 2.231 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccncc2)CC1 ZINC000603081766 469254129 /nfs/dbraw/zinc/25/41/29/469254129.db2.gz CVQCIVKINXKPKC-UHFFFAOYSA-N 0 3 326.356 2.342 20 5 EEBDHN COC(=O)c1cnc(N[C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488482 469282197 /nfs/dbraw/zinc/28/21/97/469282197.db2.gz QAWLLTNNQPLWIA-LBPRGKRZSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000616326002 469424327 /nfs/dbraw/zinc/42/43/27/469424327.db2.gz MYUNJICCUODSCW-CQSZACIVSA-N 0 3 333.388 2.126 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000609147419 469896337 /nfs/dbraw/zinc/89/63/37/469896337.db2.gz CWBOIUOJBTWYBB-AWEZNQCLSA-N 0 3 337.395 2.421 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609382845 469923234 /nfs/dbraw/zinc/92/32/34/469923234.db2.gz FKCSHIMQBNAZHJ-CYBMUJFWSA-N 0 3 328.372 2.290 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609382331 469923636 /nfs/dbraw/zinc/92/36/36/469923636.db2.gz ANSIECWPRUGMDS-OAHLLOKOSA-N 0 3 344.415 2.383 20 5 EEBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000349034009 535862352 /nfs/dbraw/zinc/86/23/52/535862352.db2.gz BTCUUDYOWWWCSC-HNNXBMFYSA-N 0 3 325.384 2.277 20 5 EEBDHN CCCCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580285 577463168 /nfs/dbraw/zinc/46/31/68/577463168.db2.gz SFJJGJDLNGBKPN-RDJZCZTQSA-N 0 3 349.431 2.257 20 5 EEBDHN Cc1ccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000743256969 577882292 /nfs/dbraw/zinc/88/22/92/577882292.db2.gz ZJIPNBASCMRAJR-SFHVURJKSA-N 0 3 342.399 2.250 20 5 EEBDHN Cc1ccoc1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022675521 678201023 /nfs/dbraw/zinc/20/10/23/678201023.db2.gz KZBKTNYRMIGNCD-GASCZTMLSA-N 0 3 343.383 2.476 20 5 EEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707782 683043475 /nfs/dbraw/zinc/04/34/75/683043475.db2.gz PFJQBTMTGAZXJA-MCIONIFRSA-N 0 3 336.388 2.434 20 5 EEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707782 683043481 /nfs/dbraw/zinc/04/34/81/683043481.db2.gz PFJQBTMTGAZXJA-MCIONIFRSA-N 0 3 336.388 2.434 20 5 EEBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000893047252 683644948 /nfs/dbraw/zinc/64/49/48/683644948.db2.gz LAZJEURYNYPJKG-INWMFGNUSA-N 0 3 334.372 2.113 20 5 EEBDHN CC1=NO[C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000895311741 684477315 /nfs/dbraw/zinc/47/73/15/684477315.db2.gz QTQCOHSLEVTDNN-OAHLLOKOSA-N 0 3 329.360 2.250 20 5 EEBDHN CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CN1CCC(C)(C)C1 ZINC001105558567 1188175905 /nfs/dbraw/zinc/17/59/05/1188175905.db2.gz XUDZMZHTXYRXEJ-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095358552 1204172444 /nfs/dbraw/zinc/17/24/44/1204172444.db2.gz WPXZTHTVQJLHGO-UHFFFAOYSA-N 0 3 348.447 2.268 20 5 EEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC000801896272 1236375204 /nfs/dbraw/zinc/37/52/04/1236375204.db2.gz SWCLGVIITJMCDW-UHFFFAOYSA-N 0 3 338.383 2.263 20 5 EEBDHN Cc1ccc(N[C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001097191450 1243805252 /nfs/dbraw/zinc/80/52/52/1243805252.db2.gz LJAACCJNLOIWPG-OKILXGFUSA-N 0 3 334.420 2.303 20 5 EEBDHN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001102017429 1300147151 /nfs/dbraw/zinc/14/71/51/1300147151.db2.gz YOCPKGJMVJNBRN-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN CCCN(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102199203 1300551112 /nfs/dbraw/zinc/55/11/12/1300551112.db2.gz YOHGLZVRXOQHHN-GASCZTMLSA-N 0 3 346.431 2.116 20 5 EEBDHN O=[N+]([O-])c1cncnc1OC1CCN(CCc2ccccc2)CC1 ZINC001228654687 1302362994 /nfs/dbraw/zinc/36/29/94/1302362994.db2.gz MHYATNXSJDIHIN-UHFFFAOYSA-N 0 3 328.372 2.471 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001229679248 1302914073 /nfs/dbraw/zinc/91/40/73/1302914073.db2.gz UVDPRGLEZLCXIQ-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN CCCN(C)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103434451 1302956807 /nfs/dbraw/zinc/95/68/07/1302956807.db2.gz FSSFSLSWYLJXMY-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000783559110 1304299114 /nfs/dbraw/zinc/29/91/14/1304299114.db2.gz JITJDWNIYUAYHH-HOTGVXAUSA-N 0 3 339.823 2.279 20 5 EEBDHN CC(C)(CO)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109626 1315845077 /nfs/dbraw/zinc/84/50/77/1315845077.db2.gz WJSHMIKLUCIEDR-IAGOWNOFSA-N 0 3 345.399 2.373 20 5 EEBDHN O=C(COc1ccccc1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150950146 1316417033 /nfs/dbraw/zinc/41/70/33/1316417033.db2.gz GJYHYWWVIXAQJO-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824092 1317748776 /nfs/dbraw/zinc/74/87/76/1317748776.db2.gz JLMHHYRUNMJPPR-GXTWGEPZSA-N 0 3 326.784 2.356 20 5 EEBDHN COCCCCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610246 1318143902 /nfs/dbraw/zinc/14/39/02/1318143902.db2.gz IRKRSCOBPHTESK-GOSISDBHSA-N 0 3 333.432 2.106 20 5 EEBDHN Cc1cc(C)c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001161068322 1320374829 /nfs/dbraw/zinc/37/48/29/1320374829.db2.gz ZWAXTBHPNMGFDU-UHFFFAOYSA-N 0 3 330.388 2.449 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1(CCF)CC1 ZINC001163143059 1321050073 /nfs/dbraw/zinc/05/00/73/1321050073.db2.gz SAFAVGRJCIAVAR-UHFFFAOYSA-N 0 3 329.397 2.392 20 5 EEBDHN Cc1ncccc1CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166592597 1321746460 /nfs/dbraw/zinc/74/64/60/1321746460.db2.gz RVMYEOJGGZLVQT-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717990 1332940460 /nfs/dbraw/zinc/94/04/60/1332940460.db2.gz XJIIWRDBQSVRLQ-NEPJUHHUSA-N 0 3 338.360 2.043 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001336747033 1336589391 /nfs/dbraw/zinc/58/93/91/1336589391.db2.gz ZNRURHZGBMLVPB-ZDUSSCGKSA-N 0 3 325.796 2.391 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CC[NH+](CC2CC2)CC1 ZINC001593476510 1349810729 /nfs/dbraw/zinc/81/07/29/1349810729.db2.gz XZYJFTLGVPWSQR-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CC[NH+](CC2CC2)CC1 ZINC001593476510 1349810733 /nfs/dbraw/zinc/81/07/33/1349810733.db2.gz XZYJFTLGVPWSQR-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN Cn1cc(C(C)(C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000782536265 1371309102 /nfs/dbraw/zinc/30/91/02/1371309102.db2.gz SOVJATCRNVHPON-UHFFFAOYSA-N 0 3 349.366 2.321 20 5 EEBDHN Cc1cccc(-c2nnc3n2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC3)c1 ZINC000835457173 1372626072 /nfs/dbraw/zinc/62/60/72/1372626072.db2.gz XKBLMLUYGJAYOF-TZMCWYRMSA-N 0 3 344.371 2.024 20 5 EEBDHN COC1(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001753184811 1406703501 /nfs/dbraw/zinc/70/35/01/1406703501.db2.gz VPCKFMLNZWZQPX-UHFFFAOYSA-N 0 3 335.404 2.102 20 5 EEBDHN CC(C)N(C)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091462542 790902618 /nfs/dbraw/zinc/90/26/18/790902618.db2.gz REILMVJZOVYLIC-HDJSIYSDSA-N 0 3 334.420 2.242 20 5 EEBDHN O=C(CCCc1cccnc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135936583 784826350 /nfs/dbraw/zinc/82/63/50/784826350.db2.gz LYGMTQSFIKMBJB-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccnc(N3CCCC3)c2)c1 ZINC000818946712 785336319 /nfs/dbraw/zinc/33/63/19/785336319.db2.gz UKMXXYZBCYLVTJ-QGZVFWFLSA-N 0 3 342.399 2.413 20 5 EEBDHN Cc1ccc(NC/C=C/CNC(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001107201081 786350054 /nfs/dbraw/zinc/35/00/54/786350054.db2.gz JETCFBNPAXGFNO-NSCUHMNNSA-N 0 3 332.404 2.083 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163863613 789037105 /nfs/dbraw/zinc/03/71/05/789037105.db2.gz FJQSUMCEXAJYLZ-NSHDSACASA-N 0 3 347.412 2.051 20 5 EEBDHN CC([C@@H](OC(=O)CCc1ncccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845882283 789973601 /nfs/dbraw/zinc/97/36/01/789973601.db2.gz OEKLXECLQTXLFB-BDJLRTHQSA-N 0 3 333.319 2.498 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@@H](O)C(F)(F)F)c1F ZINC001173178143 797278134 /nfs/dbraw/zinc/27/81/34/797278134.db2.gz AIUFIFSLHOVXQC-RDDDGLTNSA-N 0 3 340.273 2.186 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCOC2=O)CC1 ZINC001173231794 797312116 /nfs/dbraw/zinc/31/21/16/797312116.db2.gz DDTHWNXNKKZZEP-ZDUSSCGKSA-N 0 3 333.388 2.442 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000917052838 798036965 /nfs/dbraw/zinc/03/69/65/798036965.db2.gz RCLUQIQMXJMAFK-MRXNPFEDSA-N 0 3 337.395 2.421 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001110266004 801086134 /nfs/dbraw/zinc/08/61/34/801086134.db2.gz HXGXEIFDSBWGKX-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN COc1ccc(C[C@H](C)NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170295210 809869012 /nfs/dbraw/zinc/86/90/12/809869012.db2.gz BARILHNEMRCILU-LBPRGKRZSA-N 0 3 335.404 2.183 20 5 EEBDHN COc1ccc(C[C@@H](C)NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170297700 809870556 /nfs/dbraw/zinc/87/05/56/809870556.db2.gz QTAODWCAJDCLJC-CYBMUJFWSA-N 0 3 335.404 2.137 20 5 EEBDHN CCc1cccnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130625502 811855746 /nfs/dbraw/zinc/85/57/46/811855746.db2.gz BHFGXEUUWKHMNL-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1c(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000902342622 980842027 /nfs/dbraw/zinc/84/20/27/980842027.db2.gz KIJCHDVUICUKCC-UHFFFAOYSA-N 0 3 335.404 2.322 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451498300 243134313 /nfs/dbraw/zinc/13/43/13/243134313.db2.gz XFOHPLKPLDCWNZ-IAOVAPTHSA-N 0 3 345.399 2.389 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC[C@H]2C2CC2)c1 ZINC000451650525 243189668 /nfs/dbraw/zinc/18/96/68/243189668.db2.gz UTBDCOIDUULUNA-ZBFHGGJFSA-N 0 3 338.429 2.162 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000110992712 220088258 /nfs/dbraw/zinc/08/82/58/220088258.db2.gz CHQDLLCUZRNXQV-LBPRGKRZSA-N 0 3 339.367 2.103 20 5 EEBDHN O=C(C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000079930116 217266255 /nfs/dbraw/zinc/26/62/55/217266255.db2.gz MWPNYHHBNMZTHE-UHFFFAOYSA-N 0 3 331.416 2.472 20 5 EEBDHN CC[C@H](C)N(C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264156892 246119941 /nfs/dbraw/zinc/11/99/41/246119941.db2.gz XJJHFDLZTRTQRP-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN COC(=O)[C@@H]1CC12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265103328 247204827 /nfs/dbraw/zinc/20/48/27/247204827.db2.gz YGDLMDQCWKTPGN-HNNXBMFYSA-N 0 3 334.372 2.249 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065882 248072446 /nfs/dbraw/zinc/07/24/46/248072446.db2.gz WPCZVPARPGOKFC-BSLXNSKLSA-N 0 3 333.388 2.325 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1N(C)C ZINC000270501364 256141651 /nfs/dbraw/zinc/14/16/51/256141651.db2.gz PTYBHDNWQNLNIX-JQWIXIFHSA-N 0 3 329.447 2.082 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1Cc1ccccc1 ZINC000268126613 256115952 /nfs/dbraw/zinc/11/59/52/256115952.db2.gz DABPIYCOYSCYAO-TZMCWYRMSA-N 0 3 328.372 2.316 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccnc(OCCN(C)C)c1 ZINC000270745913 256167102 /nfs/dbraw/zinc/16/71/02/256167102.db2.gz WKQQULZSGSNDOD-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273264353 256282192 /nfs/dbraw/zinc/28/21/92/256282192.db2.gz FHWDEUFDJACRQJ-LLVKDONJSA-N 0 3 347.375 2.016 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359503367 153404580 /nfs/dbraw/zinc/40/45/80/153404580.db2.gz WPORBMQHLQNTCR-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000069534441 159029138 /nfs/dbraw/zinc/02/91/38/159029138.db2.gz ZFIYMJSQGBBJED-SECBINFHSA-N 0 3 336.348 2.024 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCNCc2cccnc2)c1 ZINC000237777879 160224785 /nfs/dbraw/zinc/22/47/85/160224785.db2.gz LYJPEKKOWFLITP-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342419969 161063803 /nfs/dbraw/zinc/06/38/03/161063803.db2.gz RXWFQGLNMBOVGB-CYBMUJFWSA-N 0 3 330.388 2.184 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000344077651 161196476 /nfs/dbraw/zinc/19/64/76/161196476.db2.gz WRBROGFTYDNZIG-USXIJHARSA-N 0 3 347.415 2.340 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(F)(F)F ZINC000344844819 161250515 /nfs/dbraw/zinc/25/05/15/161250515.db2.gz CNHKHDGSRPHKBZ-YHYXMXQVSA-N 0 3 331.294 2.266 20 5 EEBDHN COc1c(C(=O)NCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000355031409 163057719 /nfs/dbraw/zinc/05/77/19/163057719.db2.gz ACZAVUHVOLVYDP-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CCc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000360869182 164393713 /nfs/dbraw/zinc/39/37/13/164393713.db2.gz BIEIGQORPUKOOT-MRXNPFEDSA-N 0 3 347.415 2.140 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364091258 165020031 /nfs/dbraw/zinc/02/00/31/165020031.db2.gz RIGIMQHSWUSMTR-UONOGXRCSA-N 0 3 348.403 2.196 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000375961400 167236025 /nfs/dbraw/zinc/23/60/25/167236025.db2.gz BPUVCFMZHDJHKU-MRXNPFEDSA-N 0 3 341.367 2.220 20 5 EEBDHN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000272643901 269003123 /nfs/dbraw/zinc/00/31/23/269003123.db2.gz CYKPRFZWVNBKNW-GFCCVEGCSA-N 0 3 342.399 2.385 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1CC(C)(C)O ZINC000275454154 269116998 /nfs/dbraw/zinc/11/69/98/269116998.db2.gz HATJHVKLNTWJQL-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278691333 269240395 /nfs/dbraw/zinc/24/03/95/269240395.db2.gz ZKIQSGVSUIRJDD-KRWDZBQOSA-N 0 3 343.383 2.048 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000280852828 269393474 /nfs/dbraw/zinc/39/34/74/269393474.db2.gz CQVFZEZRMGDORF-RHSMWYFYSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278589084 274378288 /nfs/dbraw/zinc/37/82/88/274378288.db2.gz QLINFIUCEIFCMB-PPYMECGQSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952471 274921275 /nfs/dbraw/zinc/92/12/75/274921275.db2.gz FOZRXAVCPUHJFR-ABAIWWIYSA-N 0 3 348.359 2.202 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487782 275063394 /nfs/dbraw/zinc/06/33/94/275063394.db2.gz RIKNWAUSBQBDLH-HIFRSBDPSA-N 0 3 346.431 2.360 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579235 275072012 /nfs/dbraw/zinc/07/20/12/275072012.db2.gz XHNNXHFYJBFSLO-GHMZBOCLSA-N 0 3 336.367 2.015 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1C ZINC000293884058 293318725 /nfs/dbraw/zinc/31/87/25/293318725.db2.gz FZCQCVQVJPRLDC-SFHVURJKSA-N 0 3 347.415 2.470 20 5 EEBDHN Cc1nc(N(CCN(C)C)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000297587932 294288421 /nfs/dbraw/zinc/28/84/21/294288421.db2.gz TXXAIEAGDUPDFX-UHFFFAOYSA-N 0 3 333.367 2.401 20 5 EEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237904743 295248762 /nfs/dbraw/zinc/24/87/62/295248762.db2.gz KJXBOCUWYJQNKL-ONGXEEELSA-N 0 3 347.824 2.044 20 5 EEBDHN CCOc1cc(C(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000411099865 312503758 /nfs/dbraw/zinc/50/37/58/312503758.db2.gz NBPZWRIVCOSHOA-UHFFFAOYSA-N 0 3 339.392 2.072 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415489151 313129883 /nfs/dbraw/zinc/12/98/83/313129883.db2.gz WOGHQWOJDISWLG-AAEUAGOBSA-N 0 3 336.392 2.446 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417999324 313683002 /nfs/dbraw/zinc/68/30/02/313683002.db2.gz WEJKGVIEYDDUOC-MNOVXSKESA-N 0 3 340.811 2.183 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c1C ZINC000420449124 313962484 /nfs/dbraw/zinc/96/24/84/313962484.db2.gz SNYXGSKESPLBIM-ZDUSSCGKSA-N 0 3 341.433 2.022 20 5 EEBDHN CC(=O)N[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420947825 314007125 /nfs/dbraw/zinc/00/71/25/314007125.db2.gz DCLGKJDRJSREAL-CQSZACIVSA-N 0 3 344.371 2.003 20 5 EEBDHN CCO[C@H]1C[C@](N)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121284 315274799 /nfs/dbraw/zinc/27/47/99/315274799.db2.gz HNZHJJQIUUXWCW-YJBOKZPZSA-N 0 3 347.415 2.012 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000524720413 317024094 /nfs/dbraw/zinc/02/40/94/317024094.db2.gz PEHVRDTVMVIJCI-AWEZNQCLSA-N 0 3 346.431 2.267 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858536 318575944 /nfs/dbraw/zinc/57/59/44/318575944.db2.gz USYNDHBSMTYHNA-UHFFFAOYSA-N 0 3 331.376 2.042 20 5 EEBDHN CSc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000567262195 319364338 /nfs/dbraw/zinc/36/43/38/319364338.db2.gz GBICSIUTIWXSET-CYBMUJFWSA-N 0 3 349.412 2.241 20 5 EEBDHN C[C@@H]1C[C@H](C)CN(CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839262 320209522 /nfs/dbraw/zinc/20/95/22/320209522.db2.gz WQBATVUBJYQOKR-TXEJJXNPSA-N 0 3 331.372 2.169 20 5 EEBDHN CN(C)[C@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706872 449389563 /nfs/dbraw/zinc/38/95/63/449389563.db2.gz HMWHECOJPMAKCX-HNNXBMFYSA-N 0 3 333.417 2.387 20 5 EEBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354793583 465158722 /nfs/dbraw/zinc/15/87/22/465158722.db2.gz QZXXKKAQFFUSRG-CQSZACIVSA-N 0 3 343.387 2.055 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@@H]2CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859860 465197205 /nfs/dbraw/zinc/19/72/05/465197205.db2.gz CRWRJZHQZCWBNN-DOTOQJQBSA-N 0 3 347.394 2.031 20 5 EEBDHN CCN(CCCN(C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296524793 465223688 /nfs/dbraw/zinc/22/36/88/465223688.db2.gz CKYKWAWYBFTKLL-UHFFFAOYSA-N 0 3 335.404 2.358 20 5 EEBDHN CN(Cc1ccccc1)CC(C)(C)NCc1c([N+](=O)[O-])ncn1C ZINC000358621341 465226630 /nfs/dbraw/zinc/22/66/30/465226630.db2.gz VCNXFJXIBLDFSS-UHFFFAOYSA-N 0 3 331.420 2.329 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000298506691 465415701 /nfs/dbraw/zinc/41/57/01/465415701.db2.gz JUWQPDBKZKAUEZ-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000152557016 462546684 /nfs/dbraw/zinc/54/66/84/462546684.db2.gz YHFDGWLOKZOOTK-JSGCOSHPSA-N 0 3 348.403 2.087 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(CC2CC2)C1 ZINC000117796504 462813095 /nfs/dbraw/zinc/81/30/95/462813095.db2.gz GVSWOBHCQZVSAT-CYBMUJFWSA-N 0 3 337.807 2.391 20 5 EEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000048717455 462934812 /nfs/dbraw/zinc/93/48/12/462934812.db2.gz QSPLVYVDCMQIEW-LLVKDONJSA-N 0 3 342.417 2.121 20 5 EEBDHN COc1ccc(CC(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000069575472 463279429 /nfs/dbraw/zinc/27/94/29/463279429.db2.gz SJCGJMZLYAKZNF-AWEZNQCLSA-N 0 3 335.404 2.089 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169282 463488439 /nfs/dbraw/zinc/48/84/39/463488439.db2.gz ZBCZBYIZQWNGRS-VPWBDBDCSA-N 0 3 333.388 2.469 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000059389286 463643508 /nfs/dbraw/zinc/64/35/08/463643508.db2.gz SGXZALAVFCYMJV-CYBMUJFWSA-N 0 3 334.420 2.235 20 5 EEBDHN CCOc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000276870550 463789158 /nfs/dbraw/zinc/78/91/58/463789158.db2.gz HODWFSXCMRRNRS-INIZCTEOSA-N 0 3 349.431 2.148 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H]1CCCN(C)C1 ZINC000287310091 463865394 /nfs/dbraw/zinc/86/53/94/463865394.db2.gz NEIJSYGVRDOCSH-ZDUSSCGKSA-N 0 3 335.404 2.468 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000283828728 464023779 /nfs/dbraw/zinc/02/37/79/464023779.db2.gz GDGUWYXNGGJKMU-CYBMUJFWSA-N 0 3 335.404 2.407 20 5 EEBDHN C[C@H]1CCSCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347155 464091060 /nfs/dbraw/zinc/09/10/60/464091060.db2.gz VFRRTVCWBHNIFE-STQMWFEESA-N 0 3 326.418 2.162 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264625937 464399824 /nfs/dbraw/zinc/39/98/24/464399824.db2.gz SOOXNNBTCNFQPA-CQSZACIVSA-N 0 3 332.404 2.094 20 5 EEBDHN C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000188936874 464401639 /nfs/dbraw/zinc/40/16/39/464401639.db2.gz AJTGMVPVYVMENV-NSHDSACASA-N 0 3 325.340 2.173 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272138108 464493146 /nfs/dbraw/zinc/49/31/46/464493146.db2.gz ASKSJZQOHGQPCN-BLLLJJGKSA-N 0 3 333.388 2.302 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000285358213 464536746 /nfs/dbraw/zinc/53/67/46/464536746.db2.gz BKQHLJVTTWTFPY-HNNXBMFYSA-N 0 3 332.404 2.365 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272570050 464662474 /nfs/dbraw/zinc/66/24/74/464662474.db2.gz FQXWBRYQDUVPQP-ZBEGNZNMSA-N 0 3 328.372 2.242 20 5 EEBDHN Cc1c(CC(=O)N2CCN(C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000295301242 464780801 /nfs/dbraw/zinc/78/08/01/464780801.db2.gz JJTHHXWTBDDHKR-ZDUSSCGKSA-N 0 3 331.416 2.388 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075889 464794861 /nfs/dbraw/zinc/79/48/61/464794861.db2.gz JWFGREZPOFDCIM-PWSUYJOCSA-N 0 3 341.795 2.327 20 5 EEBDHN CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940546 465018016 /nfs/dbraw/zinc/01/80/16/465018016.db2.gz IDDMRMSVKKJZTR-IAGOWNOFSA-N 0 3 347.415 2.199 20 5 EEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000554600360 468429171 /nfs/dbraw/zinc/42/91/71/468429171.db2.gz QMBYLGIMXLBPSV-ZDUSSCGKSA-N 0 3 349.387 2.270 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000356344272 465325701 /nfs/dbraw/zinc/32/57/01/465325701.db2.gz LKUYQDBXTHJYDP-LEAZNMPDSA-N 0 3 342.399 2.330 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@H](C)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339627247 465399421 /nfs/dbraw/zinc/39/94/21/465399421.db2.gz IPVCJVSFYXAIDU-STQMWFEESA-N 0 3 334.420 2.256 20 5 EEBDHN CNC(=O)[C@@H](CCSC)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475971 465533739 /nfs/dbraw/zinc/53/37/39/465533739.db2.gz FVZKMSQKUNEWTC-TZMCWYRMSA-N 0 3 339.461 2.373 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330588523 465718195 /nfs/dbraw/zinc/71/81/95/465718195.db2.gz UJIAVYUGCGFBEY-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335465 465723265 /nfs/dbraw/zinc/72/32/65/465723265.db2.gz LFBSKENRBRUMOE-NVXWUHKLSA-N 0 3 330.388 2.416 20 5 EEBDHN COc1ccc(CN2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000353517541 465948440 /nfs/dbraw/zinc/94/84/40/465948440.db2.gz JAGYSJLSNGCUPK-UHFFFAOYSA-N 0 3 337.420 2.146 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000361404819 465966210 /nfs/dbraw/zinc/96/62/10/465966210.db2.gz OBIRABJIYAFERI-IAGOWNOFSA-N 0 3 330.388 2.379 20 5 EEBDHN Cc1cc(NCCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302078795 466094848 /nfs/dbraw/zinc/09/48/48/466094848.db2.gz KMWFQUQVNNVSSD-UHFFFAOYSA-N 0 3 340.343 2.016 20 5 EEBDHN CC[C@H](C)N[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543608 466118103 /nfs/dbraw/zinc/11/81/03/466118103.db2.gz HQGAKQIUJJKQQQ-CMPLNLGQSA-N 0 3 347.375 2.223 20 5 EEBDHN CC(C)N(C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000357563335 466135196 /nfs/dbraw/zinc/13/51/96/466135196.db2.gz HOGRZLVZAFBHQD-NSHDSACASA-N 0 3 329.422 2.139 20 5 EEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000302468947 466143613 /nfs/dbraw/zinc/14/36/13/466143613.db2.gz TWFYNDSTHIFBPH-GOSISDBHSA-N 0 3 342.399 2.063 20 5 EEBDHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762281 466266014 /nfs/dbraw/zinc/26/60/14/466266014.db2.gz ASCSEXNIJHDFKI-OWCLPIDISA-N 0 3 333.388 2.247 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361784341 466286685 /nfs/dbraw/zinc/28/66/85/466286685.db2.gz DADCHYUNKQIMPV-OAHLLOKOSA-N 0 3 348.447 2.412 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000361805875 466305115 /nfs/dbraw/zinc/30/51/15/466305115.db2.gz CTMOYLKSUXBAAP-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCNCc1cccnc1 ZINC000325015747 466652939 /nfs/dbraw/zinc/65/29/39/466652939.db2.gz DBFRDEVSJKUNCW-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CN4CCC[C@@H]4CO3)ccc2c1 ZINC000325191077 466654512 /nfs/dbraw/zinc/65/45/12/466654512.db2.gz AAZOSVXHIIEIEC-CABCVRRESA-N 0 3 328.372 2.418 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000373391098 466789085 /nfs/dbraw/zinc/78/90/85/466789085.db2.gz HOUKQRJRVHSRKS-HNNXBMFYSA-N 0 3 327.388 2.709 20 5 EEBDHN O=C1CCCN1[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000412057229 466986295 /nfs/dbraw/zinc/98/62/95/466986295.db2.gz QNMNGCHYNJMPPR-HNNXBMFYSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@@H]1CN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257734 467198901 /nfs/dbraw/zinc/19/89/01/467198901.db2.gz DBPBYNVFWPTUNY-CQSZACIVSA-N 0 3 344.415 3.056 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(CCN3CCc4ccccc43)CC2)n1 ZINC000428958152 467284094 /nfs/dbraw/zinc/28/40/94/467284094.db2.gz SXDBPBOQXQNMBO-UHFFFAOYSA-N 0 3 341.415 2.491 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018804 467291861 /nfs/dbraw/zinc/29/18/61/467291861.db2.gz IAMCSJWRNGYNKZ-CPUCHLNUSA-N 0 3 346.431 2.195 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1 ZINC000420212845 467322588 /nfs/dbraw/zinc/32/25/88/467322588.db2.gz UGMRIXFVTNKIGE-ZDUSSCGKSA-N 0 3 328.372 2.367 20 5 EEBDHN CCc1cc(N2CCN[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420217346 467323738 /nfs/dbraw/zinc/32/37/38/467323738.db2.gz XOFVGVPWBXOHPQ-LBPRGKRZSA-N 0 3 327.388 2.412 20 5 EEBDHN CCc1cc(N2CCN[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420217345 467323762 /nfs/dbraw/zinc/32/37/62/467323762.db2.gz XOFVGVPWBXOHPQ-GFCCVEGCSA-N 0 3 327.388 2.412 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477218 467419715 /nfs/dbraw/zinc/41/97/15/467419715.db2.gz ZOOBTCNADNXENN-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1CN(C)C ZINC000458271131 467801007 /nfs/dbraw/zinc/80/10/07/467801007.db2.gz URAHMVILRMYTFS-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251065 468040327 /nfs/dbraw/zinc/04/03/27/468040327.db2.gz NKQUAWAQJVUULK-LYOVBCGYSA-N 0 3 337.376 2.088 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1Cc1ccccc1 ZINC000531569452 468061573 /nfs/dbraw/zinc/06/15/73/468061573.db2.gz UFSPMVKZNJBHFI-DZGCQCFKSA-N 0 3 342.399 2.326 20 5 EEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496444852 468251495 /nfs/dbraw/zinc/25/14/95/468251495.db2.gz VDWVRVDEVHPFLS-CYBMUJFWSA-N 0 3 334.376 2.082 20 5 EEBDHN C[C@@H](C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000582521236 468551161 /nfs/dbraw/zinc/55/11/61/468551161.db2.gz RASPEBYWHNOGAS-RHSMWYFYSA-N 0 3 349.431 2.268 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594388832 468569173 /nfs/dbraw/zinc/56/91/73/468569173.db2.gz BPPKBYPFNBWLTI-UHFFFAOYSA-N 0 3 349.431 2.479 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417636 468578573 /nfs/dbraw/zinc/57/85/73/468578573.db2.gz CXJQGJURVVHLLY-YPMHNXCESA-N 0 3 335.408 2.017 20 5 EEBDHN NC(=O)Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594525606 468616265 /nfs/dbraw/zinc/61/62/65/468616265.db2.gz WROFMUVATJDTHH-MRXNPFEDSA-N 0 3 325.368 2.400 20 5 EEBDHN Cn1ccnc1[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542094 468744933 /nfs/dbraw/zinc/74/49/33/468744933.db2.gz OATZGLAJAWMQTF-ZDUSSCGKSA-N 0 3 343.387 2.146 20 5 EEBDHN Cc1ccc(OCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000560279400 468777591 /nfs/dbraw/zinc/77/75/91/468777591.db2.gz HZHCXAMMXWKNPT-HNNXBMFYSA-N 0 3 346.383 2.312 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598575758 468920163 /nfs/dbraw/zinc/92/01/63/468920163.db2.gz WVVZCVPGSJEUQJ-HNNXBMFYSA-N 0 3 337.395 2.468 20 5 EEBDHN COCCN(CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602764577 469058771 /nfs/dbraw/zinc/05/87/71/469058771.db2.gz DODXBCCCZDMIQZ-UHFFFAOYSA-N 0 3 332.404 2.291 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC(F)(F)CC2)c1 ZINC000599551029 469289826 /nfs/dbraw/zinc/28/98/26/469289826.db2.gz FIFSRFVVZDWMNE-CYBMUJFWSA-N 0 3 330.331 2.456 20 5 EEBDHN Cc1nccn1CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604532801 469487985 /nfs/dbraw/zinc/48/79/85/469487985.db2.gz KOBUQZFFVGIILP-UHFFFAOYSA-N 0 3 332.360 2.051 20 5 EEBDHN CC(C)(C)Oc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336039 470004897 /nfs/dbraw/zinc/00/48/97/470004897.db2.gz YRJNQHJJTYNZHL-HNNXBMFYSA-N 0 3 348.403 2.119 20 5 EEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2c1cnn2C ZINC000776591687 577463676 /nfs/dbraw/zinc/46/36/76/577463676.db2.gz UGLJOGORCSHARQ-RDJZCZTQSA-N 0 3 330.388 2.371 20 5 EEBDHN C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824400846 609605754 /nfs/dbraw/zinc/60/57/54/609605754.db2.gz LNFHXKNGYQCHSC-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824400846 609605756 /nfs/dbraw/zinc/60/57/56/609605756.db2.gz LNFHXKNGYQCHSC-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CN(C)CCN1C ZINC000895248223 684374499 /nfs/dbraw/zinc/37/44/99/684374499.db2.gz KQWSWUSHYKISIH-YVEFUNNKSA-N 0 3 329.404 2.189 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105489760 1188107777 /nfs/dbraw/zinc/10/77/77/1188107777.db2.gz KMGJLLLAJRVNLG-UHFFFAOYSA-N 0 3 336.436 2.220 20 5 EEBDHN Cc1nc2ccc(Br)cn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102224 1201097606 /nfs/dbraw/zinc/09/76/06/1201097606.db2.gz PLPKXWBKHJTXCZ-ZETCQYMHSA-N 0 3 342.149 2.227 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1F ZINC000813110596 1201122118 /nfs/dbraw/zinc/12/21/18/1201122118.db2.gz FBSCQGVYMAWYKD-QMMMGPOBSA-N 0 3 325.271 2.281 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001020206073 1229552405 /nfs/dbraw/zinc/55/24/05/1229552405.db2.gz BDKHJDWWTQWUEV-HAQNSBGRSA-N 0 3 332.385 2.102 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097184881 1243796946 /nfs/dbraw/zinc/79/69/46/1243796946.db2.gz NSKPOPPTYDTXFA-TXEJJXNPSA-N 0 3 338.383 2.135 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826743433 1248053771 /nfs/dbraw/zinc/05/37/71/1248053771.db2.gz GPFYFPLJLMMJBZ-UHFFFAOYSA-N 0 3 346.362 2.333 20 5 EEBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N+](=O)[O-] ZINC001122950579 1310433146 /nfs/dbraw/zinc/43/31/46/1310433146.db2.gz LHRSJSMFCILLLN-GRYCIOLGSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000841856822 1315625649 /nfs/dbraw/zinc/62/56/49/1315625649.db2.gz BITAFLUOAYANTD-ZJUUUORDSA-N 0 3 326.784 2.140 20 5 EEBDHN Cc1cnc(-n2nc(C(F)(F)F)c3c2CCNC3)c([N+](=O)[O-])c1 ZINC001154846064 1317348917 /nfs/dbraw/zinc/34/89/17/1317348917.db2.gz COUOEEFAZGPRFY-UHFFFAOYSA-N 0 3 327.266 2.148 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(NCc3nnn4c3CNCCC4)nc12 ZINC001155394018 1317578349 /nfs/dbraw/zinc/57/83/49/1317578349.db2.gz NSOFDNLJLGESNZ-UHFFFAOYSA-N 0 3 345.410 2.480 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccccc1 ZINC001254536109 1318113677 /nfs/dbraw/zinc/11/36/77/1318113677.db2.gz NQWNYSYZPSIGPF-AWEZNQCLSA-N 0 3 327.384 2.432 20 5 EEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254587322 1318134271 /nfs/dbraw/zinc/13/42/71/1318134271.db2.gz WGPNJTZNALBUBB-HNNXBMFYSA-N 0 3 329.331 2.429 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001254610293 1318143333 /nfs/dbraw/zinc/14/33/33/1318143333.db2.gz JHYMWHSBDNGTFE-JKSUJKDBSA-N 0 3 344.346 2.144 20 5 EEBDHN Cc1nn(CCO)c(C)c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001256721055 1318841963 /nfs/dbraw/zinc/84/19/63/1318841963.db2.gz SLOASLPLBVNPOM-UHFFFAOYSA-N 0 3 332.404 2.075 20 5 EEBDHN CCN1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158561355 1319305729 /nfs/dbraw/zinc/30/57/29/1319305729.db2.gz AFGPIJIYCHFHGG-BQYQJAHWSA-N 0 3 333.436 2.443 20 5 EEBDHN COc1cc(Br)c(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001263475601 1322481878 /nfs/dbraw/zinc/48/18/78/1322481878.db2.gz OZPCAVAZCHGDQM-ZETCQYMHSA-N 0 3 348.149 2.288 20 5 EEBDHN C[NH+]1CCN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)nc2)CC1 ZINC001210392217 1325263570 /nfs/dbraw/zinc/26/35/70/1325263570.db2.gz DIGRKIZQLAMAGQ-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N(C)C ZINC001321720628 1333148554 /nfs/dbraw/zinc/14/85/54/1333148554.db2.gz NIXZDFDMNWPJPO-ZIAGYGMSSA-N 0 3 341.433 2.054 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001336744793 1336588975 /nfs/dbraw/zinc/58/89/75/1336588975.db2.gz JNIIJFXSJKVTQV-OAHLLOKOSA-N 0 3 330.388 2.150 20 5 EEBDHN C[C@H](NC(=O)C1(N)Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001579480470 1344387275 /nfs/dbraw/zinc/38/72/75/1344387275.db2.gz RFQRBHVKCKUFOJ-LBPRGKRZSA-N 0 3 325.368 2.268 20 5 EEBDHN CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590096718 1349153758 /nfs/dbraw/zinc/15/37/58/1349153758.db2.gz JZXZALFZKVOBCB-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590096718 1349153762 /nfs/dbraw/zinc/15/37/62/1349153762.db2.gz JZXZALFZKVOBCB-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590096718 1349153764 /nfs/dbraw/zinc/15/37/64/1349153764.db2.gz JZXZALFZKVOBCB-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590096718 1349153770 /nfs/dbraw/zinc/15/37/70/1349153770.db2.gz JZXZALFZKVOBCB-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(COC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[N+](=O)[O-] ZINC000835456233 1372625745 /nfs/dbraw/zinc/62/57/45/1372625745.db2.gz TYZOGVHZRCLWGL-ZETCQYMHSA-N 0 3 327.243 2.496 20 5 EEBDHN Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351980 1373140803 /nfs/dbraw/zinc/14/08/03/1373140803.db2.gz IWGAJQOSAYFBMG-KGLIPLIRSA-N 0 3 332.404 2.232 20 5 EEBDHN C[NH+](C)C(C)(C)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580564 1373158713 /nfs/dbraw/zinc/15/87/13/1373158713.db2.gz YQPGJMSBEPGOMD-UHFFFAOYSA-N 0 3 331.319 2.023 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091359583 790434831 /nfs/dbraw/zinc/43/48/31/790434831.db2.gz HVIVSLAJGMTDPK-BETUJISGSA-N 0 3 343.387 2.176 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107285660 786723316 /nfs/dbraw/zinc/72/33/16/786723316.db2.gz PYLMMJVPAVEHRY-IHWYPQMZSA-N 0 3 347.350 2.092 20 5 EEBDHN CC(C)(CCC(=O)NCC1(N2CCSCC2)CCCC1)[N+](=O)[O-] ZINC000822500620 787245587 /nfs/dbraw/zinc/24/55/87/787245587.db2.gz YKFZUUKFABLZTM-UHFFFAOYSA-N 0 3 343.493 2.300 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000843843646 788685607 /nfs/dbraw/zinc/68/56/07/788685607.db2.gz SKMGSCBPYVLJBY-STQMWFEESA-N 0 3 341.408 2.160 20 5 EEBDHN CC([C@H](OC(=O)COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875941 789972099 /nfs/dbraw/zinc/97/20/99/789972099.db2.gz MCTXUYRLGFZNIC-BZNIZROVSA-N 0 3 341.335 2.271 20 5 EEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001148537137 792513632 /nfs/dbraw/zinc/51/36/32/792513632.db2.gz XIMHGPYOMWTYPN-UHFFFAOYSA-N 0 3 333.310 2.389 20 5 EEBDHN CC(C)N(C)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089944237 795114459 /nfs/dbraw/zinc/11/44/59/795114459.db2.gz UCXMSJLCRMDCCC-UHFFFAOYSA-N 0 3 349.435 2.028 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000917052837 798037111 /nfs/dbraw/zinc/03/71/11/798037111.db2.gz RCLUQIQMXJMAFK-INIZCTEOSA-N 0 3 337.395 2.421 20 5 EEBDHN Cn1cccc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086030965 801971146 /nfs/dbraw/zinc/97/11/46/801971146.db2.gz CRDJWBFYBSIRKS-OTVXOJSOSA-N 0 3 342.399 2.232 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001086293281 802682060 /nfs/dbraw/zinc/68/20/60/802682060.db2.gz SNSUIYASYJADOW-SAZUREKKSA-N 0 3 340.383 2.288 20 5 EEBDHN Cc1ocnc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086319645 802734211 /nfs/dbraw/zinc/73/42/11/802734211.db2.gz POVQWOQBRNLIGO-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN C[C@H](NCCNC(=O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673639 807621089 /nfs/dbraw/zinc/62/10/89/807621089.db2.gz WXKHIKFUVYVDQF-NSHDSACASA-N 0 3 346.362 2.397 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930729 812389049 /nfs/dbraw/zinc/38/90/49/812389049.db2.gz VBQGPEKHOFQWHI-CQSZACIVSA-N 0 3 348.447 2.483 20 5 EEBDHN CCN(CC)C(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717182 213958188 /nfs/dbraw/zinc/95/81/88/213958188.db2.gz NSRGKDVKMCAPJK-LBPRGKRZSA-N 0 3 342.417 2.075 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)cc1SC ZINC000104184371 219356311 /nfs/dbraw/zinc/35/63/11/219356311.db2.gz GLHAXCWHKRYGSA-JTQLQIEISA-N 0 3 339.417 2.007 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191723046 239266962 /nfs/dbraw/zinc/26/69/62/239266962.db2.gz FKTQPQXOSPVKOX-DOMZBBRYSA-N 0 3 330.388 2.056 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000445896402 242141646 /nfs/dbraw/zinc/14/16/46/242141646.db2.gz HZUSSOOEKUTQEK-IUODEOHRSA-N 0 3 332.404 2.145 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCOCCN(C)C ZINC000447818837 242321226 /nfs/dbraw/zinc/32/12/26/242321226.db2.gz ZBWYQRNKGVEOIW-UHFFFAOYSA-N 0 3 345.783 2.025 20 5 EEBDHN CN(C[C@H]1CCCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245498540 243117524 /nfs/dbraw/zinc/11/75/24/243117524.db2.gz WKCFTJYIAIWKRG-CJNGLKHVSA-N 0 3 333.388 2.059 20 5 EEBDHN Cc1ncsc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078950159 217155947 /nfs/dbraw/zinc/15/59/47/217155947.db2.gz NAJVCEBHKOFSRI-GFCCVEGCSA-N 0 3 333.417 2.484 20 5 EEBDHN COCCCN(C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000091673938 218045907 /nfs/dbraw/zinc/04/59/07/218045907.db2.gz WZISRPVKFRHYMQ-UHFFFAOYSA-N 0 3 337.420 2.218 20 5 EEBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])C1 ZINC000347503354 296401012 /nfs/dbraw/zinc/40/10/12/296401012.db2.gz SKKLRLJHUMVINF-CQSZACIVSA-N 0 3 346.431 2.267 20 5 EEBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000117339180 221055734 /nfs/dbraw/zinc/05/57/34/221055734.db2.gz ADLBOKNDWLYOKP-NSHDSACASA-N 0 3 337.401 2.330 20 5 EEBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC000267072732 256024476 /nfs/dbraw/zinc/02/44/76/256024476.db2.gz IYHOYOILQSCTJA-ZDUSSCGKSA-N 0 3 326.378 2.352 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220430 256039202 /nfs/dbraw/zinc/03/92/02/256039202.db2.gz CXUANUJURYIGPS-NWDGAFQWSA-N 0 3 341.433 2.283 20 5 EEBDHN CS[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270495582 256141037 /nfs/dbraw/zinc/14/10/37/256141037.db2.gz OYHVGDGMSNXEAS-JJGIJDNGSA-N 0 3 335.429 2.112 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373428 256128410 /nfs/dbraw/zinc/12/84/10/256128410.db2.gz NHSUZTZFJGENMG-APPDUMDISA-N 0 3 342.399 2.218 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000273258860 256281657 /nfs/dbraw/zinc/28/16/57/256281657.db2.gz DFMYPPQZNSVBNZ-NSHDSACASA-N 0 3 347.375 2.016 20 5 EEBDHN COc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236722 154098710 /nfs/dbraw/zinc/09/87/10/154098710.db2.gz GHJGLRAQMLNAJI-CHWSQXEVSA-N 0 3 336.388 2.470 20 5 EEBDHN CCc1ccc([C@H]2CNCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000261675870 160406818 /nfs/dbraw/zinc/40/68/18/160406818.db2.gz HZQJUAMUFQYQRR-QGZVFWFLSA-N 0 3 329.404 2.000 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CN2CCOCC2)C1 ZINC000069805411 159031075 /nfs/dbraw/zinc/03/10/75/159031075.db2.gz CJZJNHHLIDVPNY-MRXNPFEDSA-N 0 3 349.431 2.018 20 5 EEBDHN Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000073108425 159050529 /nfs/dbraw/zinc/05/05/29/159050529.db2.gz CHLKZZUFWAWXHL-CYBMUJFWSA-N 0 3 332.404 2.186 20 5 EEBDHN C[C@H](c1ccncc1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248449798 160346771 /nfs/dbraw/zinc/34/67/71/160346771.db2.gz IJIYPPHVUVEKAD-UKRRQHHQSA-N 0 3 331.372 2.423 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344403927 161224027 /nfs/dbraw/zinc/22/40/27/161224027.db2.gz WZCCVDLZLFOXOZ-NSHDSACASA-N 0 3 325.796 2.343 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000344439663 161227509 /nfs/dbraw/zinc/22/75/09/161227509.db2.gz JDLPQMQXZIYNTP-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345957860 161345297 /nfs/dbraw/zinc/34/52/97/161345297.db2.gz VXALENRHRQUGIR-HIFRSBDPSA-N 0 3 334.420 2.261 20 5 EEBDHN O=C1COc2ccc(CNCCc3ccccc3[N+](=O)[O-])cc2N1 ZINC000352633680 162220362 /nfs/dbraw/zinc/22/03/62/162220362.db2.gz RISCRROYWZBYGK-UHFFFAOYSA-N 0 3 327.340 2.258 20 5 EEBDHN CSC1(CNC(=O)c2csc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000355463702 163199363 /nfs/dbraw/zinc/19/93/63/163199363.db2.gz CKEHOFSHRBXUII-UHFFFAOYSA-N 0 3 329.447 2.214 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210879 164084170 /nfs/dbraw/zinc/08/41/70/164084170.db2.gz DVDSLTUHXRRQNW-BXUZGUMPSA-N 0 3 332.404 2.328 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375468968 167141361 /nfs/dbraw/zinc/14/13/61/167141361.db2.gz GRPZYSSHXKHYQC-IRXDYDNUSA-N 0 3 349.431 2.336 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC2(CO)COC2)s1 ZINC000122990690 222195856 /nfs/dbraw/zinc/19/58/56/222195856.db2.gz HHLDQPKMUOWGKN-UHFFFAOYSA-N 0 3 334.397 2.422 20 5 EEBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000123987895 222362126 /nfs/dbraw/zinc/36/21/26/222362126.db2.gz AZRPSONUDAIYPF-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000275599408 269128776 /nfs/dbraw/zinc/12/87/76/269128776.db2.gz GNPKYGWZMDLTAW-HNNXBMFYSA-N 0 3 338.433 2.462 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000271843160 274158376 /nfs/dbraw/zinc/15/83/76/274158376.db2.gz WIGIMVLNMWBDSF-CQSZACIVSA-N 0 3 336.779 2.085 20 5 EEBDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248624 275401134 /nfs/dbraw/zinc/40/11/34/275401134.db2.gz QSEMKERZRKKXEX-SUMWQHHRSA-N 0 3 343.383 2.221 20 5 EEBDHN CCN1CCN([C@@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507409 276386720 /nfs/dbraw/zinc/38/67/20/276386720.db2.gz CKADCKUYZGBBDX-HZPDHXFCSA-N 0 3 332.448 2.368 20 5 EEBDHN CCc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270606229 281399115 /nfs/dbraw/zinc/39/91/15/281399115.db2.gz DSCUSRRNDDDALE-LSDHHAIUSA-N 0 3 337.445 2.275 20 5 EEBDHN CSc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281185921 292740021 /nfs/dbraw/zinc/74/00/21/292740021.db2.gz BGQLVRDUQQMEOH-SMDDNHRTSA-N 0 3 336.417 2.225 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C[C@H](C)C1 ZINC000296859372 294085742 /nfs/dbraw/zinc/08/57/42/294085742.db2.gz YTFVPIQNCWFKEO-KGLIPLIRSA-N 0 3 346.431 2.338 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(C3CCOCC3)CC2)c1 ZINC000297629603 294300552 /nfs/dbraw/zinc/30/05/52/294300552.db2.gz WYNUKEQWEASGQD-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686253 312045401 /nfs/dbraw/zinc/04/54/01/312045401.db2.gz VOCHQIXXOTWESR-MNOVXSKESA-N 0 3 339.342 2.111 20 5 EEBDHN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)CN1 ZINC000414957115 313115407 /nfs/dbraw/zinc/11/54/07/313115407.db2.gz VSUPAPLHFHSUMN-RKDXNWHRSA-N 0 3 344.318 2.410 20 5 EEBDHN CN1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425389838 314384733 /nfs/dbraw/zinc/38/47/33/314384733.db2.gz ZTOMGQZTJBGQRP-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448693158 315376309 /nfs/dbraw/zinc/37/63/09/315376309.db2.gz ZSEXKZDQKRDLQL-NSHDSACASA-N 0 3 339.367 2.347 20 5 EEBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000566231241 319262701 /nfs/dbraw/zinc/26/27/01/319262701.db2.gz NUVKWIIMECWHJZ-TVQRCGJNSA-N 0 3 349.309 2.215 20 5 EEBDHN C[C@H]1C[C@H](C)CN(CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339862 319926003 /nfs/dbraw/zinc/92/60/03/319926003.db2.gz ZSYZNOATAQQFCD-STQMWFEESA-N 0 3 346.387 2.389 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000181094849 323339512 /nfs/dbraw/zinc/33/95/12/323339512.db2.gz SNDXMXQIGHRNJP-CQSZACIVSA-N 0 3 345.403 2.449 20 5 EEBDHN CC[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183440651 323407071 /nfs/dbraw/zinc/40/70/71/323407071.db2.gz DYPBTRUOQMQJAG-HRCADAONSA-N 0 3 335.404 2.271 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354577947 465034771 /nfs/dbraw/zinc/03/47/71/465034771.db2.gz PTRRRFAHDUWZDW-OCCSQVGLSA-N 0 3 341.433 2.088 20 5 EEBDHN CCC[C@H](N[C@@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315061 465153044 /nfs/dbraw/zinc/15/30/44/465153044.db2.gz GOTMFTHMXBLGHX-ZFWWWQNUSA-N 0 3 343.449 2.353 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@@H]2CNCc2ccccc2[N+](=O)[O-])cn1 ZINC000354836070 465181664 /nfs/dbraw/zinc/18/16/64/465181664.db2.gz AQENZCXAOAUWOW-HZPDHXFCSA-N 0 3 347.394 2.031 20 5 EEBDHN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN(C2CC2)C1 ZINC000590654450 468296838 /nfs/dbraw/zinc/29/68/38/468296838.db2.gz AESMNUCZHPYXTK-CYBMUJFWSA-N 0 3 347.415 2.282 20 5 EEBDHN CCN(C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112926547 462555685 /nfs/dbraw/zinc/55/56/85/462555685.db2.gz NWJIDDVTDJSKQS-JTQLQIEISA-N 0 3 329.784 2.083 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000045767437 462615753 /nfs/dbraw/zinc/61/57/53/462615753.db2.gz CGMTYBLSSZDQSL-AWEZNQCLSA-N 0 3 346.431 2.482 20 5 EEBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000088250797 462620022 /nfs/dbraw/zinc/62/00/22/462620022.db2.gz CRCPWLOBGAIUPV-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN C[C@@H]1C[C@H](c2ccccc2F)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075901207 462773058 /nfs/dbraw/zinc/77/30/58/462773058.db2.gz DBZAEFXEXNRKOT-HACGYAERSA-N 0 3 348.378 2.374 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1(=O)=O ZINC000090466248 462792506 /nfs/dbraw/zinc/79/25/06/462792506.db2.gz IJYWVADMYUXBKE-GXTWGEPZSA-N 0 3 326.418 2.083 20 5 EEBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000090511468 462794593 /nfs/dbraw/zinc/79/45/93/462794593.db2.gz GNTOJQRJFRIMLG-UHFFFAOYSA-N 0 3 343.383 2.430 20 5 EEBDHN C[C@H]1CN(C)c2ccccc2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552036 462797860 /nfs/dbraw/zinc/79/78/60/462797860.db2.gz WTPYUDAUWTXHAR-AWEZNQCLSA-N 0 3 342.399 2.097 20 5 EEBDHN CN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047864626 462829908 /nfs/dbraw/zinc/82/99/08/462829908.db2.gz FPQWYXRUTOATHJ-UHFFFAOYSA-N 0 3 344.318 2.412 20 5 EEBDHN CCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717395 462934420 /nfs/dbraw/zinc/93/44/20/462934420.db2.gz FATFWVOGEXOCDD-LBPRGKRZSA-N 0 3 342.417 2.123 20 5 EEBDHN CSC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120668092 463024970 /nfs/dbraw/zinc/02/49/70/463024970.db2.gz UTJDYHZODKBZDK-ZDUSSCGKSA-N 0 3 336.360 2.400 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157323928 463119706 /nfs/dbraw/zinc/11/97/06/463119706.db2.gz NYSWTIROMMZDQL-CJNGLKHVSA-N 0 3 335.379 2.219 20 5 EEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000029606974 463264517 /nfs/dbraw/zinc/26/45/17/463264517.db2.gz KVYCFUBXTNOJOW-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169962 468353294 /nfs/dbraw/zinc/35/32/94/468353294.db2.gz JGJSFKMRDBZFFW-NWDGAFQWSA-N 0 3 347.371 2.022 20 5 EEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559065 463615304 /nfs/dbraw/zinc/61/53/04/463615304.db2.gz PXTANXFWUVWGNM-IUODEOHRSA-N 0 3 332.404 2.439 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553776946 468378861 /nfs/dbraw/zinc/37/88/61/468378861.db2.gz REHQEDDNUJXNDS-SWLSCSKDSA-N 0 3 332.404 2.335 20 5 EEBDHN Nc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172419798 464076768 /nfs/dbraw/zinc/07/67/68/464076768.db2.gz JNFXLQCJBIKZKW-UHFFFAOYSA-N 0 3 332.404 2.268 20 5 EEBDHN COc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000172425921 464078645 /nfs/dbraw/zinc/07/86/45/464078645.db2.gz LDTGEAHZMOHZCN-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000172508037 464095076 /nfs/dbraw/zinc/09/50/76/464095076.db2.gz RTNJPQJMPSOIJV-UHFFFAOYSA-N 0 3 347.415 2.246 20 5 EEBDHN Cc1nccn1CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263836973 464210761 /nfs/dbraw/zinc/21/07/61/464210761.db2.gz XFXGXTGLIPDUEH-UHFFFAOYSA-N 0 3 340.387 2.290 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180007633 464223120 /nfs/dbraw/zinc/22/31/20/464223120.db2.gz BLNRNAGXFQCCMF-UHFFFAOYSA-N 0 3 329.303 2.022 20 5 EEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236899809 464235764 /nfs/dbraw/zinc/23/57/64/464235764.db2.gz SBFXZEAZUHHLRM-LBPRGKRZSA-N 0 3 329.422 2.007 20 5 EEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000264450457 464331879 /nfs/dbraw/zinc/33/18/79/464331879.db2.gz GMFVKAAYLXVBRE-CYBMUJFWSA-N 0 3 332.404 2.186 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189129304 464439660 /nfs/dbraw/zinc/43/96/60/464439660.db2.gz WLJBFIQJBFMCCZ-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCOC2=O)c1 ZINC000181299854 464469212 /nfs/dbraw/zinc/46/92/12/464469212.db2.gz HNQNVDWOOVLTOQ-GFCCVEGCSA-N 0 3 345.359 2.099 20 5 EEBDHN CCO[C@@H]1C[C@](CO)(NCCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971482 464574853 /nfs/dbraw/zinc/57/48/53/464574853.db2.gz NTMNHHZOYFBRQN-NVXWUHKLSA-N 0 3 338.404 2.129 20 5 EEBDHN CCO[C@@H]1C[C@@](CO)(NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981273 464579183 /nfs/dbraw/zinc/57/91/83/464579183.db2.gz LRJWMGFCEDWCFY-WBVHZDCISA-N 0 3 338.404 2.129 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272371687 464581273 /nfs/dbraw/zinc/58/12/73/464581273.db2.gz BPRMVIPTIUIPEJ-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](N2CCCCC2)C1 ZINC000272396058 464590323 /nfs/dbraw/zinc/59/03/23/464590323.db2.gz JRPWWZDQEWGFBX-ZDUSSCGKSA-N 0 3 347.371 2.024 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN(CC3CCOCC3)CC2)cs1 ZINC000265551372 464598481 /nfs/dbraw/zinc/59/84/81/464598481.db2.gz ZAHBVCWTULBJMD-UHFFFAOYSA-N 0 3 325.434 2.201 20 5 EEBDHN Cc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282033674 464674919 /nfs/dbraw/zinc/67/49/19/464674919.db2.gz ZJVPSBPRTUHONH-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN O=C(Nc1ccccc1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176197475 464717400 /nfs/dbraw/zinc/71/74/00/464717400.db2.gz FIWPNBCBUTYSIC-UHFFFAOYSA-N 0 3 343.387 2.142 20 5 EEBDHN CCCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1COc2ccccc2O1 ZINC000176207547 464719943 /nfs/dbraw/zinc/71/99/43/464719943.db2.gz ODFTXTDBRWVCKR-CQSZACIVSA-N 0 3 346.387 2.343 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000285974114 464760290 /nfs/dbraw/zinc/76/02/90/464760290.db2.gz BLEODSCHDBZDCO-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177042816 464914666 /nfs/dbraw/zinc/91/46/66/464914666.db2.gz INTQHNFRXAIWOM-QWHCGFSZSA-N 0 3 332.404 2.138 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CN1C1CC1 ZINC000177089715 464927493 /nfs/dbraw/zinc/92/74/93/464927493.db2.gz OQMTZIGNYGSUDI-NEPJUHHUSA-N 0 3 332.404 2.016 20 5 EEBDHN C[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095608 468437374 /nfs/dbraw/zinc/43/73/74/468437374.db2.gz FYNHFUQWCBUKTR-CHWSQXEVSA-N 0 3 326.418 2.394 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1nnnn1-c1ccccc1 ZINC000337818658 465603985 /nfs/dbraw/zinc/60/39/85/465603985.db2.gz PPRNLIIFVYYNCJ-UHFFFAOYSA-N 0 3 338.371 2.211 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362289378 465634822 /nfs/dbraw/zinc/63/48/22/465634822.db2.gz VWGDZYMXVIESNK-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000360930499 465640035 /nfs/dbraw/zinc/64/00/35/465640035.db2.gz VNTFANKMMNLKFK-OAHLLOKOSA-N 0 3 347.415 2.369 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@]2(CCOC2)C1 ZINC000362362369 465680894 /nfs/dbraw/zinc/68/08/94/465680894.db2.gz MGBDZVHQTYRRIL-WMLDXEAASA-N 0 3 336.388 2.421 20 5 EEBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299337230 465704334 /nfs/dbraw/zinc/70/43/34/465704334.db2.gz LLWWCTYKUDLLIU-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN COc1ccc(CN2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000330678197 465757441 /nfs/dbraw/zinc/75/74/41/465757441.db2.gz WCZSHQGYWBFTSH-HIFRSBDPSA-N 0 3 325.434 2.081 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CN1CCCC1 ZINC000299536878 465789839 /nfs/dbraw/zinc/78/98/39/465789839.db2.gz ODSPSMMXHUOWBK-ZDUSSCGKSA-N 0 3 343.387 2.172 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170544 465957118 /nfs/dbraw/zinc/95/71/18/465957118.db2.gz AOILASFMYSFRSW-XQQFMLRXSA-N 0 3 349.435 2.244 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170544 465957124 /nfs/dbraw/zinc/95/71/24/465957124.db2.gz AOILASFMYSFRSW-XQQFMLRXSA-N 0 3 349.435 2.244 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422192 466077762 /nfs/dbraw/zinc/07/77/62/466077762.db2.gz UNRMNWZYLLCSKS-PSLIRLAXSA-N 0 3 339.342 2.014 20 5 EEBDHN CN(c1ccccc1)c1ccc(CNCCOCCO)cc1[N+](=O)[O-] ZINC000340469150 466110918 /nfs/dbraw/zinc/11/09/18/466110918.db2.gz HEWXRVCEZXIIHD-UHFFFAOYSA-N 0 3 345.399 2.461 20 5 EEBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCN(Cc2ccccc2)CC1 ZINC000363046527 466192854 /nfs/dbraw/zinc/19/28/54/466192854.db2.gz ZYDQQQSEXPKBBH-UHFFFAOYSA-N 0 3 343.431 2.425 20 5 EEBDHN CN1CCC2(CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000372442558 466384925 /nfs/dbraw/zinc/38/49/25/466384925.db2.gz RWWKJJPTTLZMBP-UHFFFAOYSA-N 0 3 343.387 2.172 20 5 EEBDHN CCN1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000354421770 466555374 /nfs/dbraw/zinc/55/53/74/466555374.db2.gz GXYQHUBJRKZAJC-VXGBXAGGSA-N 0 3 345.403 2.416 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000347433372 466629828 /nfs/dbraw/zinc/62/98/28/466629828.db2.gz QALDCDWXTMFNEM-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CN4CCC[C@@H]4CO3)ccc2c1 ZINC000325191079 466654706 /nfs/dbraw/zinc/65/47/06/466654706.db2.gz AAZOSVXHIIEIEC-HUUCEWRRSA-N 0 3 328.372 2.418 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000374727105 466726835 /nfs/dbraw/zinc/72/68/35/466726835.db2.gz AXOFZXZOMZGKJG-CQSZACIVSA-N 0 3 326.360 2.088 20 5 EEBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192771 466740701 /nfs/dbraw/zinc/74/07/01/466740701.db2.gz XWVPVEGWIUHOEN-SWLSCSKDSA-N 0 3 339.779 2.344 20 5 EEBDHN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCCC1 ZINC000373308789 466761433 /nfs/dbraw/zinc/76/14/33/466761433.db2.gz NDINEJWLSFEUPD-CQSZACIVSA-N 0 3 349.435 2.219 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000411726126 466888091 /nfs/dbraw/zinc/88/80/91/466888091.db2.gz XMMWKMCWUUMFOL-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000373805471 466925359 /nfs/dbraw/zinc/92/53/59/466925359.db2.gz DKIOZWUOHQOPRP-NKFCBESUSA-N 0 3 349.387 2.088 20 5 EEBDHN O=C(CCN1CC[C@H](n2cccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365829680 466954149 /nfs/dbraw/zinc/95/41/49/466954149.db2.gz HNLFXYCLTJEJKO-HNNXBMFYSA-N 0 3 329.360 2.067 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCCO)c(C(F)(F)F)c1 ZINC000413323896 467216509 /nfs/dbraw/zinc/21/65/09/467216509.db2.gz ISYVZLSZYUUDOM-JTQLQIEISA-N 0 3 348.325 2.267 20 5 EEBDHN Cc1noc(C[C@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccc2)n1 ZINC000429536830 467343112 /nfs/dbraw/zinc/34/31/12/467343112.db2.gz PJGXBTVROMFLGO-AWEZNQCLSA-N 0 3 342.359 2.056 20 5 EEBDHN CN(C)CC1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448974231 467609715 /nfs/dbraw/zinc/60/97/15/467609715.db2.gz JHHNBMWJVKBDSZ-UHFFFAOYSA-N 0 3 347.415 2.358 20 5 EEBDHN CC[C@H]1CN(CC)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449565745 467663094 /nfs/dbraw/zinc/66/30/94/467663094.db2.gz KQDBIKIQRHXKBE-HNNXBMFYSA-N 0 3 335.404 2.377 20 5 EEBDHN Cc1n[nH]c(C(=O)N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488877528 468109903 /nfs/dbraw/zinc/10/99/03/468109903.db2.gz KJMGUEASQRKHFY-UHFFFAOYSA-N 0 3 349.435 2.497 20 5 EEBDHN Cc1[nH]nc(C(=O)N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488877528 468109906 /nfs/dbraw/zinc/10/99/06/468109906.db2.gz KJMGUEASQRKHFY-UHFFFAOYSA-N 0 3 349.435 2.497 20 5 EEBDHN CC(C)Oc1nc(NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000565842584 468138788 /nfs/dbraw/zinc/13/87/88/468138788.db2.gz HKDBBHXFBMAGCH-HNNXBMFYSA-N 0 3 340.449 2.626 20 5 EEBDHN CN(CC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594194935 468507845 /nfs/dbraw/zinc/50/78/45/468507845.db2.gz BGCMRASWHURTNS-GJZGRUSLSA-N 0 3 346.431 2.164 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595472321 468866537 /nfs/dbraw/zinc/86/65/37/468866537.db2.gz KXCLCJPMMIGCID-MRXNPFEDSA-N 0 3 349.431 2.290 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598605639 468930004 /nfs/dbraw/zinc/93/00/04/468930004.db2.gz CKQZKIYMNOXNRJ-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000572544352 468948596 /nfs/dbraw/zinc/94/85/96/468948596.db2.gz IMDSLQYDCKYTRM-OAHLLOKOSA-N 0 3 347.415 2.279 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000602841794 469111193 /nfs/dbraw/zinc/11/11/93/469111193.db2.gz SEOGTOGFTUYOBX-ZUZCIYMTSA-N 0 3 336.417 2.453 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000599085325 469111658 /nfs/dbraw/zinc/11/16/58/469111658.db2.gz POYRLVXEZBOXGG-MOPGFXCFSA-N 0 3 341.411 2.340 20 5 EEBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596087187 469148723 /nfs/dbraw/zinc/14/87/23/469148723.db2.gz GFSXFCQXMTXAAD-CYBMUJFWSA-N 0 3 332.404 2.382 20 5 EEBDHN O=[N+]([O-])c1ccc(CCn2cc(CCN3CCCCC3)nn2)cc1 ZINC000603198495 469306414 /nfs/dbraw/zinc/30/64/14/469306414.db2.gz URBRKMWHSSYKEE-UHFFFAOYSA-N 0 3 329.404 2.457 20 5 EEBDHN CC(=O)NCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602510347 469344604 /nfs/dbraw/zinc/34/46/04/469344604.db2.gz GTNXTBZXOHVJJU-UHFFFAOYSA-N 0 3 336.211 2.035 20 5 EEBDHN CCc1nn(C)c(N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000603399693 469377772 /nfs/dbraw/zinc/37/77/72/469377772.db2.gz ICQCPKMQFSGVFL-UHFFFAOYSA-N 0 3 346.435 2.244 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603671244 469422478 /nfs/dbraw/zinc/42/24/78/469422478.db2.gz MYIPVXCAAXROBV-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN CSc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000604511263 469485087 /nfs/dbraw/zinc/48/50/87/469485087.db2.gz OPLODHKKUINATO-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN Cc1n[nH]c(C(=O)N2CCCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000604546911 469490116 /nfs/dbraw/zinc/49/01/16/469490116.db2.gz KZHCQCVCUBQYGQ-UHFFFAOYSA-N 0 3 349.435 2.355 20 5 EEBDHN Cc1[nH]nc(C(=O)N2CCCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000604546911 469490121 /nfs/dbraw/zinc/49/01/21/469490121.db2.gz KZHCQCVCUBQYGQ-UHFFFAOYSA-N 0 3 349.435 2.355 20 5 EEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000610296528 470001490 /nfs/dbraw/zinc/00/14/90/470001490.db2.gz ALKAZCADLSVMFH-AWEZNQCLSA-N 0 3 328.372 2.269 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCOC2=O)cc1 ZINC000181267267 533876208 /nfs/dbraw/zinc/87/62/08/533876208.db2.gz LKPRMNLKXLWTOU-LBPRGKRZSA-N 0 3 345.359 2.099 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000190163841 534306947 /nfs/dbraw/zinc/30/69/47/534306947.db2.gz MCAPYCOHCQXVFN-HNNXBMFYSA-N 0 3 344.371 2.491 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)CCc2ccccc2)cc1 ZINC000758184500 577617816 /nfs/dbraw/zinc/61/78/16/577617816.db2.gz DLSPKWGKSVDQPY-ZWKOTPCHSA-N 0 3 330.384 2.212 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759113461 577637356 /nfs/dbraw/zinc/63/73/56/577637356.db2.gz DJFIVNSDCDJBFT-MRXNPFEDSA-N 0 3 332.404 2.321 20 5 EEBDHN CC(C)CNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742588308 577874190 /nfs/dbraw/zinc/87/41/90/577874190.db2.gz CUQJZKFGMXELEN-UHFFFAOYSA-N 0 3 349.431 2.458 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C3CCCCC3)CC2)c1 ZINC000743265348 577882430 /nfs/dbraw/zinc/88/24/30/577882430.db2.gz VDFALQUYCLCDJD-KRWDZBQOSA-N 0 3 336.436 2.445 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000744798901 577903226 /nfs/dbraw/zinc/90/32/26/577903226.db2.gz QYEXWVLTOBQDNP-AWEZNQCLSA-N 0 3 346.431 2.267 20 5 EEBDHN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000745695519 577917092 /nfs/dbraw/zinc/91/70/92/577917092.db2.gz BXZGQYSFWBYPJV-AWEZNQCLSA-N 0 3 334.420 2.311 20 5 EEBDHN CN(C)[C@@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000748603714 577964850 /nfs/dbraw/zinc/96/48/50/577964850.db2.gz YTBSRAAXMUMFRJ-CQSZACIVSA-N 0 3 340.474 2.319 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCO)CC2)c2ccncc21 ZINC000741747617 578123454 /nfs/dbraw/zinc/12/34/54/578123454.db2.gz CZKUQUNOQDHHAR-UHFFFAOYSA-N 0 3 330.388 2.038 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000736568399 578212048 /nfs/dbraw/zinc/21/20/48/578212048.db2.gz BJUASWCYINPYKE-NEPJUHHUSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000736568399 578212049 /nfs/dbraw/zinc/21/20/49/578212049.db2.gz BJUASWCYINPYKE-NEPJUHHUSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000736568399 578212050 /nfs/dbraw/zinc/21/20/50/578212050.db2.gz BJUASWCYINPYKE-NEPJUHHUSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000736568399 578212051 /nfs/dbraw/zinc/21/20/51/578212051.db2.gz BJUASWCYINPYKE-NEPJUHHUSA-N 0 3 345.407 2.084 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000891345638 676413927 /nfs/dbraw/zinc/41/39/27/676413927.db2.gz XOWTUFQUMNHRKC-HTQZYQBOSA-N 0 3 336.270 2.014 20 5 EEBDHN CC1(C)CCN(CC(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001059413523 684918114 /nfs/dbraw/zinc/91/81/14/684918114.db2.gz KWEULMXVLGJLLS-SHTZXODSSA-N 0 3 346.431 2.386 20 5 EEBDHN CN(CC1CCOCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124711787 686088261 /nfs/dbraw/zinc/08/82/61/686088261.db2.gz DOCMEGZPLIBWIW-UHFFFAOYSA-N 0 3 331.376 2.169 20 5 EEBDHN CC(C)(F)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989843502 692378519 /nfs/dbraw/zinc/37/85/19/692378519.db2.gz MUUCCQDRDQNJKC-UHFFFAOYSA-N 0 3 329.397 2.485 20 5 EEBDHN CN(CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001101954296 1188076846 /nfs/dbraw/zinc/07/68/46/1188076846.db2.gz AAXBAQQFJRLQQY-UHFFFAOYSA-N 0 3 336.436 2.443 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000872090084 1198044569 /nfs/dbraw/zinc/04/45/69/1198044569.db2.gz LIWFIMMDBODCDQ-WCQYABFASA-N 0 3 325.434 2.034 20 5 EEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000878147779 1200284454 /nfs/dbraw/zinc/28/44/54/1200284454.db2.gz BBINOSXSDQSZGJ-INIZCTEOSA-N 0 3 332.404 2.464 20 5 EEBDHN O=C(Cc1cc(F)ccc1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133033963 1200359438 /nfs/dbraw/zinc/35/94/38/1200359438.db2.gz UVXKQMPGNOLOLP-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000882075493 1201812216 /nfs/dbraw/zinc/81/22/16/1201812216.db2.gz WIPOIEGQODKCOT-VXGBXAGGSA-N 0 3 326.372 2.430 20 5 EEBDHN Cc1cccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000882814778 1201949499 /nfs/dbraw/zinc/94/94/99/1201949499.db2.gz SYTMBGQLCXVPJO-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000080393470 1210887131 /nfs/dbraw/zinc/88/71/31/1210887131.db2.gz GJFLLFQLSRMCBU-UHFFFAOYSA-N 0 3 334.420 2.219 20 5 EEBDHN Cc1ncc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)s1 ZINC001020018882 1229444534 /nfs/dbraw/zinc/44/45/34/1229444534.db2.gz OFGWZKNESAYZQW-JOCQHMNTSA-N 0 3 346.412 2.410 20 5 EEBDHN C[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595560 1234537385 /nfs/dbraw/zinc/53/73/85/1234537385.db2.gz IUFZEAUMURYQRY-SSDOTTSWSA-N 0 3 326.154 2.017 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN(C)C(=O)OC)cc1[N+](=O)[O-] ZINC000850548386 1277263538 /nfs/dbraw/zinc/26/35/38/1277263538.db2.gz PVVKVVGOKYPSBJ-NSHDSACASA-N 0 3 325.365 2.342 20 5 EEBDHN CC(COC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000851036250 1277447625 /nfs/dbraw/zinc/44/76/25/1277447625.db2.gz GAKYHSWVEXVOBX-LLVKDONJSA-N 0 3 339.344 2.229 20 5 EEBDHN CC(C)[C@](C)(C[NH3+])[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765321 1293910608 /nfs/dbraw/zinc/91/06/08/1293910608.db2.gz PGJFAGGPNCLSSS-ZDUSSCGKSA-N 0 3 331.319 2.056 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)OC ZINC000858579240 1294159164 /nfs/dbraw/zinc/15/91/64/1294159164.db2.gz PLDOFECBDBZVMV-NWDGAFQWSA-N 0 3 341.433 2.463 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC001101829273 1299922473 /nfs/dbraw/zinc/92/24/73/1299922473.db2.gz GSZCGPFYVBEFLD-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN CCOC(=O)c1ccc(CO[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223966982 1300356779 /nfs/dbraw/zinc/35/67/79/1300356779.db2.gz QSBLKTJLFLPQOL-INIZCTEOSA-N 0 3 334.372 2.382 20 5 EEBDHN COCCN1CCC(Oc2ccc(C)c([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001230493316 1303227252 /nfs/dbraw/zinc/22/72/52/1303227252.db2.gz ZYVHPUACMKVYAZ-UHFFFAOYSA-N 0 3 339.348 2.301 20 5 EEBDHN CN(CCCNC(=O)c1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235625744 1305303395 /nfs/dbraw/zinc/30/33/95/1305303395.db2.gz GYUGZKNFNVGVNM-UHFFFAOYSA-N 0 3 334.401 2.303 20 5 EEBDHN CN(Cc1cnn(C)c1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476625 1318082538 /nfs/dbraw/zinc/08/25/38/1318082538.db2.gz UKVQMNBSECVEQW-UHFFFAOYSA-N 0 3 329.404 2.429 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc(OCC3CC3)ncn1)C2 ZINC001254587578 1318134443 /nfs/dbraw/zinc/13/44/43/1318134443.db2.gz QFWLWVILSJOUHH-OAHLLOKOSA-N 0 3 340.383 2.431 20 5 EEBDHN O=C1CCC[C@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594578 1318135884 /nfs/dbraw/zinc/13/58/84/1318135884.db2.gz GEMHRGRNYAHOEP-FUHWJXTLSA-N 0 3 329.400 2.197 20 5 EEBDHN CN1C[C@]2(CC1=O)CCCCN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599427 1318140644 /nfs/dbraw/zinc/14/06/44/1318140644.db2.gz ZFGQFPYVNVVVOH-SJLPKXTDSA-N 0 3 329.400 2.149 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](CN2CCCC2)C1 ZINC001158309512 1319164941 /nfs/dbraw/zinc/16/49/41/1319164941.db2.gz MCOMKNOPXQFFNY-HNNXBMFYSA-N 0 3 342.399 2.444 20 5 EEBDHN NCc1ccc2c(n1)N(c1ncnc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001158648826 1319354754 /nfs/dbraw/zinc/35/47/54/1319354754.db2.gz FZIMGPVFZPNANG-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1(CF)CCC1 ZINC001166975140 1321829126 /nfs/dbraw/zinc/82/91/26/1321829126.db2.gz WOYQGAMIZWJAPF-UHFFFAOYSA-N 0 3 329.397 2.392 20 5 EEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)CNC1 ZINC001579607965 1344400103 /nfs/dbraw/zinc/40/01/03/1344400103.db2.gz KISMQEFJAZLMFR-UHFFFAOYSA-N 0 3 329.331 2.271 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589714976 1349022932 /nfs/dbraw/zinc/02/29/32/1349022932.db2.gz OVLXQUYJGDCWFX-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589714976 1349022937 /nfs/dbraw/zinc/02/29/37/1349022937.db2.gz OVLXQUYJGDCWFX-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589714976 1349022939 /nfs/dbraw/zinc/02/29/39/1349022939.db2.gz OVLXQUYJGDCWFX-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589714976 1349022945 /nfs/dbraw/zinc/02/29/45/1349022945.db2.gz OVLXQUYJGDCWFX-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552318 1350719420 /nfs/dbraw/zinc/71/94/20/1350719420.db2.gz XGEVRLCYDDMLLU-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552318 1350719423 /nfs/dbraw/zinc/71/94/23/1350719423.db2.gz XGEVRLCYDDMLLU-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897183 1350797430 /nfs/dbraw/zinc/79/74/30/1350797430.db2.gz CXNYTTGRYYUUCF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897183 1350797434 /nfs/dbraw/zinc/79/74/34/1350797434.db2.gz CXNYTTGRYYUUCF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897183 1350797439 /nfs/dbraw/zinc/79/74/39/1350797439.db2.gz CXNYTTGRYYUUCF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897183 1350797443 /nfs/dbraw/zinc/79/74/43/1350797443.db2.gz CXNYTTGRYYUUCF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN CCN(CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091350202 790345051 /nfs/dbraw/zinc/34/50/51/790345051.db2.gz JHXLSNNOQFUDOI-OKILXGFUSA-N 0 3 334.420 2.243 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127655020 777661826 /nfs/dbraw/zinc/66/18/26/777661826.db2.gz ZSVPWZYSHLMLSG-UHFFFAOYSA-N 0 3 346.431 2.188 20 5 EEBDHN CN1Cc2ccccc2[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190876 785455894 /nfs/dbraw/zinc/45/58/94/785455894.db2.gz LMOLEUDGVGIDTB-ZWKOTPCHSA-N 0 3 327.384 2.405 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107391858 787106052 /nfs/dbraw/zinc/10/60/52/787106052.db2.gz OAAGSMXKXRSROH-VOTSOKGWSA-N 0 3 334.420 2.409 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823981341 788006806 /nfs/dbraw/zinc/00/68/06/788006806.db2.gz WSIJQCPYJHNUPF-UHFFFAOYSA-N 0 3 347.375 2.366 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847151 788336486 /nfs/dbraw/zinc/33/64/86/788336486.db2.gz WQTFYKHHTGISLI-GOEBONIOSA-N 0 3 335.360 2.390 20 5 EEBDHN Cc1nn(CCC(=O)OC[C@@H]2CCN2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000845735130 789928931 /nfs/dbraw/zinc/92/89/31/789928931.db2.gz KXDOSYJOVIBADX-ZDUSSCGKSA-N 0 3 338.408 2.214 20 5 EEBDHN CC([C@H](OC(=O)c1cc2n(n1)CCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845879337 789973045 /nfs/dbraw/zinc/97/30/45/789973045.db2.gz IRDLMXJQLLSLIP-BONVTDFDSA-N 0 3 349.318 2.368 20 5 EEBDHN Cc1ccn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)c1 ZINC000845882274 789973729 /nfs/dbraw/zinc/97/37/29/789973729.db2.gz ODBOHBGHDOKTNT-SJKOYZFVSA-N 0 3 348.330 2.246 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094525062 796358257 /nfs/dbraw/zinc/35/82/57/796358257.db2.gz VXGMJURSCBTFRT-UHFFFAOYSA-N 0 3 331.376 2.096 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H]3C[C@@H](CO)C[C@H]31)CC2 ZINC001172903916 797131178 /nfs/dbraw/zinc/13/11/78/797131178.db2.gz JPBWNKYBVUSKMW-UONJOCPKSA-N 0 3 346.427 2.314 20 5 EEBDHN Cc1nc(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)co1 ZINC001086348596 802798138 /nfs/dbraw/zinc/79/81/38/802798138.db2.gz MEXLQBFDBZQEJP-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1c[nH]nc1C1CC1 ZINC001170001614 805469803 /nfs/dbraw/zinc/46/98/03/805469803.db2.gz UPPBVBMPUKEZQX-UHFFFAOYSA-N 0 3 343.387 2.105 20 5 EEBDHN CC(C)(C)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000808218924 812522568 /nfs/dbraw/zinc/52/25/68/812522568.db2.gz KTGKMSNPVMYLIK-AWEZNQCLSA-N 0 3 349.431 2.079 20 5 EEBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nc1C ZINC001131389225 812776234 /nfs/dbraw/zinc/77/62/34/812776234.db2.gz WGCUINKFDWEHJJ-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193111302 535047979 /nfs/dbraw/zinc/04/79/79/535047979.db2.gz SOFMYVGLKMUDBU-GFCCVEGCSA-N 0 3 329.784 2.183 20 5 EEBDHN C[C@H](Cc1ccccc1F)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020499 236387811 /nfs/dbraw/zinc/38/78/11/236387811.db2.gz QFYWIDAQDKVTIT-NXOUGTEYSA-N 0 3 348.374 2.349 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)Cc1ccccc1 ZINC000191532917 239170431 /nfs/dbraw/zinc/17/04/31/239170431.db2.gz HNMRKUGRTHJCET-ZDUSSCGKSA-N 0 3 342.399 2.427 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1N(C)C ZINC000421790010 240025006 /nfs/dbraw/zinc/02/50/06/240025006.db2.gz CFQIPGJVJFMSFY-LSDHHAIUSA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451598224 243171286 /nfs/dbraw/zinc/17/12/86/243171286.db2.gz DVDCMADOJSBSFA-QAPCUYQASA-N 0 3 347.415 2.228 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740663 245233355 /nfs/dbraw/zinc/23/33/55/245233355.db2.gz BMBGORQRGGLULP-CABCVRRESA-N 0 3 333.388 2.389 20 5 EEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079227242 217202098 /nfs/dbraw/zinc/20/20/98/217202098.db2.gz RZJXTXRWOQFMCE-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN CCC[C@H](NCCN1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268818077 252268328 /nfs/dbraw/zinc/26/83/28/252268328.db2.gz NARGDLISYXZACO-SFHVURJKSA-N 0 3 348.447 2.190 20 5 EEBDHN O=C(CNC1(CO)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179059450 255922139 /nfs/dbraw/zinc/92/21/39/255922139.db2.gz MEQMBBQMTKCSON-UHFFFAOYSA-N 0 3 327.768 2.081 20 5 EEBDHN Cc1nc(N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000270514723 256143281 /nfs/dbraw/zinc/14/32/81/256143281.db2.gz YAWAAPIKMVPFPC-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000273161025 256271744 /nfs/dbraw/zinc/27/17/44/256271744.db2.gz ZFLHYSCAHGLTOO-VIFPVBQESA-N 0 3 331.825 2.407 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273483862 256300435 /nfs/dbraw/zinc/30/04/35/256300435.db2.gz JJSDGLYYQIHTJO-GJZGRUSLSA-N 0 3 335.429 2.247 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](CN2CCOCC2)C1 ZINC000093664077 159238349 /nfs/dbraw/zinc/23/83/49/159238349.db2.gz GHOZQYHWDLAGPK-LLCTXKFZSA-N 0 3 331.416 2.262 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000119981767 159384603 /nfs/dbraw/zinc/38/46/03/159384603.db2.gz DJORWKOXYOYAGA-KGLIPLIRSA-N 0 3 348.403 2.196 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000189790358 160149578 /nfs/dbraw/zinc/14/95/78/160149578.db2.gz ATTIZGYHFRIZMM-UHFFFAOYSA-N 0 3 343.449 2.078 20 5 EEBDHN O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000352114103 162073088 /nfs/dbraw/zinc/07/30/88/162073088.db2.gz SSALHYXKAQYXNY-UHFFFAOYSA-N 0 3 347.400 2.119 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352561389 162189022 /nfs/dbraw/zinc/18/90/22/162189022.db2.gz WPQRVIUPPMASRS-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C ZINC000355000209 163046437 /nfs/dbraw/zinc/04/64/37/163046437.db2.gz MZQWYTYASMEZJT-XHDPSFHLSA-N 0 3 331.376 2.048 20 5 EEBDHN Cn1cc(CN2CC[C@@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369674856 166310986 /nfs/dbraw/zinc/31/09/86/166310986.db2.gz ALERNSHJFCNOGM-SFHVURJKSA-N 0 3 342.399 2.342 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122279469 222052290 /nfs/dbraw/zinc/05/22/90/222052290.db2.gz FWVYAYHMZCEIDI-GXTWGEPZSA-N 0 3 332.404 2.062 20 5 EEBDHN COC[C@@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274797971 269054222 /nfs/dbraw/zinc/05/42/22/269054222.db2.gz DQTZOGGRXXXCDO-GFCCVEGCSA-N 0 3 333.392 2.018 20 5 EEBDHN COc1ccc(CNC2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277669812 269169678 /nfs/dbraw/zinc/16/96/78/269169678.db2.gz OVHVHXQPLVSAHT-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000277932161 269198728 /nfs/dbraw/zinc/19/87/28/269198728.db2.gz NVGMSXOCLBEBLV-AWEZNQCLSA-N 0 3 333.388 2.107 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000274447630 274197445 /nfs/dbraw/zinc/19/74/45/274197445.db2.gz HWNTZQYNXJEKRT-NSHDSACASA-N 0 3 328.363 2.311 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000275429770 274247964 /nfs/dbraw/zinc/24/79/64/274247964.db2.gz VFCBFJMRNXLBRR-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)CN1 ZINC000237561136 287873546 /nfs/dbraw/zinc/87/35/46/287873546.db2.gz AAUWKXPFBLJTDW-ZIAGYGMSSA-N 0 3 346.431 2.020 20 5 EEBDHN CC[C@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090564451 288101546 /nfs/dbraw/zinc/10/15/46/288101546.db2.gz AOIQXGWNUFZDCN-KRWDZBQOSA-N 0 3 345.399 2.030 20 5 EEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469009 279349006 /nfs/dbraw/zinc/34/90/06/279349006.db2.gz CLHBQNGLCBVCMW-NVXWUHKLSA-N 0 3 330.388 2.416 20 5 EEBDHN CN(C)CCOc1cc(-c2noc(CCC(C)(C)[N+](=O)[O-])n2)ccn1 ZINC000296982987 294119880 /nfs/dbraw/zinc/11/98/80/294119880.db2.gz RZZUXYQAVNXERB-UHFFFAOYSA-N 0 3 349.391 2.060 20 5 EEBDHN C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000297295581 294204770 /nfs/dbraw/zinc/20/47/70/294204770.db2.gz LZXVDRHBYWUMFP-CQSZACIVSA-N 0 3 346.431 2.263 20 5 EEBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261852014 294423171 /nfs/dbraw/zinc/42/31/71/294423171.db2.gz YDFZOTIXKZPBHP-AWEZNQCLSA-N 0 3 335.795 2.128 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330661044 311775090 /nfs/dbraw/zinc/77/50/90/311775090.db2.gz ZCQNGAKMOWIDSI-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN CCN1CCC(N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000331118647 311818471 /nfs/dbraw/zinc/81/84/71/311818471.db2.gz WNBBUCBISPKQSO-UHFFFAOYSA-N 0 3 335.404 2.468 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000332511029 312017635 /nfs/dbraw/zinc/01/76/35/312017635.db2.gz UWBOGXDQGVIJTL-CABCVRRESA-N 0 3 346.431 2.400 20 5 EEBDHN COc1ccc(NC(=O)CN[C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412017587 312598826 /nfs/dbraw/zinc/59/88/26/312598826.db2.gz ADUNOOFDKDNEOX-LLVKDONJSA-N 0 3 337.376 2.089 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](O)[C@@H](CO)C3)s2)cc1 ZINC000414551163 313039158 /nfs/dbraw/zinc/03/91/58/313039158.db2.gz BDAJAAMZVUNXOI-CJNGLKHVSA-N 0 3 348.424 2.498 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000430216498 314505616 /nfs/dbraw/zinc/50/56/16/314505616.db2.gz FFTBFNKLNRQMCI-UKRRQHHQSA-N 0 3 325.434 2.081 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000541982690 318119769 /nfs/dbraw/zinc/11/97/69/318119769.db2.gz HFKXOOBAYPCZLE-MRXNPFEDSA-N 0 3 335.404 2.373 20 5 EEBDHN CN(C)CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000581019380 324170980 /nfs/dbraw/zinc/17/09/80/324170980.db2.gz DHVABTDZKPSASO-UHFFFAOYSA-N 0 3 344.415 2.432 20 5 EEBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000581296989 324223397 /nfs/dbraw/zinc/22/33/97/324223397.db2.gz KRTWPZXRPRINPV-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CNc1nccc(C(=O)Nc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000515081226 448257560 /nfs/dbraw/zinc/25/75/60/448257560.db2.gz ZBRDAADAKZRTJG-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EEBDHN C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN1CCCC1 ZINC000089620220 462698382 /nfs/dbraw/zinc/69/83/82/462698382.db2.gz QCYUUSZZCUYJHW-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN CCC(=O)N[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130378950 462753259 /nfs/dbraw/zinc/75/32/59/462753259.db2.gz DGNBELNPCIDTCS-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075843358 462764341 /nfs/dbraw/zinc/76/43/41/462764341.db2.gz KWXIJOVVCKPDSZ-OAUYIBNBSA-N 0 3 348.378 2.374 20 5 EEBDHN C[C@H]1CCN(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248828 468320723 /nfs/dbraw/zinc/32/07/23/468320723.db2.gz UYUAUUPNMRIALC-WMLDXEAASA-N 0 3 343.431 2.349 20 5 EEBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000047978865 462843471 /nfs/dbraw/zinc/84/34/71/462843471.db2.gz GBPUTGBMOXFMBW-OAHLLOKOSA-N 0 3 347.415 2.212 20 5 EEBDHN CN(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171315 462943724 /nfs/dbraw/zinc/94/37/24/462943724.db2.gz OZNBKBSMOWURLF-CYBMUJFWSA-N 0 3 334.401 2.470 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CN3CCOCC3)CC2)c1 ZINC000051959612 463055067 /nfs/dbraw/zinc/05/50/67/463055067.db2.gz WCYVBWBSOXGRAS-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@@H](CC)N2CCCC2)c1[N+](=O)[O-] ZINC000077928345 463072211 /nfs/dbraw/zinc/07/22/11/463072211.db2.gz URSAYTJVKMEKFK-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCN(C)CC1 ZINC000068467883 463140202 /nfs/dbraw/zinc/14/02/02/463140202.db2.gz BFFAAAULBYYJQH-UHFFFAOYSA-N 0 3 330.388 2.102 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000143520184 463369694 /nfs/dbraw/zinc/36/96/94/463369694.db2.gz KZXOPQFHBZUVKS-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351902652 465430560 /nfs/dbraw/zinc/43/05/60/465430560.db2.gz VGYPAPBLJXLCGB-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN CC(C)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185163840 463767315 /nfs/dbraw/zinc/76/73/15/463767315.db2.gz LWGKCZICRPGGGT-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261621692 463804357 /nfs/dbraw/zinc/80/43/57/463804357.db2.gz DAEWIFIAZWQOOF-DLBZAZTESA-N 0 3 325.368 2.470 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000283299898 463837771 /nfs/dbraw/zinc/83/77/71/463837771.db2.gz XIHNIVVWWYLDRT-GFCCVEGCSA-N 0 3 333.388 2.374 20 5 EEBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000178177195 463856781 /nfs/dbraw/zinc/85/67/81/463856781.db2.gz VDMJJTKLWVUZBZ-UHFFFAOYSA-N 0 3 328.372 2.039 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000287297095 463862274 /nfs/dbraw/zinc/86/22/74/463862274.db2.gz MNJWSQUTFJDIPI-CYBMUJFWSA-N 0 3 331.372 2.140 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178504189 463912294 /nfs/dbraw/zinc/91/22/94/463912294.db2.gz GQZCRIUSPJCOPZ-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC(C)CC1 ZINC000283565758 463927312 /nfs/dbraw/zinc/92/73/12/463927312.db2.gz VGUVXPBMNPONEO-LLVKDONJSA-N 0 3 338.383 2.166 20 5 EEBDHN Cc1cc(S(=O)(=O)NCCN(C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000172020631 463971279 /nfs/dbraw/zinc/97/12/79/463971279.db2.gz WKJOLNKVYNLZEX-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2c2ccccc2Cl)c1 ZINC000262283588 463991138 /nfs/dbraw/zinc/99/11/38/463991138.db2.gz UYTSBUDTBVPCSO-OAHLLOKOSA-N 0 3 335.795 2.091 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2c2ccccc2Cl)c1 ZINC000262283587 463991618 /nfs/dbraw/zinc/99/16/18/463991618.db2.gz UYTSBUDTBVPCSO-HNNXBMFYSA-N 0 3 335.795 2.091 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000292507439 464255884 /nfs/dbraw/zinc/25/58/84/464255884.db2.gz HQLCKUNMHKJHTF-QGZVFWFLSA-N 0 3 328.372 2.244 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270495599 464257472 /nfs/dbraw/zinc/25/74/72/464257472.db2.gz OYHVGDGMSNXEAS-VMFRVMOISA-N 0 3 335.429 2.112 20 5 EEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000174845171 464457184 /nfs/dbraw/zinc/45/71/84/464457184.db2.gz FPTSOBORMVJKON-UHFFFAOYSA-N 0 3 345.403 2.015 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285170666 464475202 /nfs/dbraw/zinc/47/52/02/464475202.db2.gz QPHORUCTAFSQTA-LLVKDONJSA-N 0 3 337.376 2.101 20 5 EEBDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146943 464495826 /nfs/dbraw/zinc/49/58/26/464495826.db2.gz WLGGWWJQKUTWIQ-GUYCJALGSA-N 0 3 347.415 2.415 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281716868 464557965 /nfs/dbraw/zinc/55/79/65/464557965.db2.gz QKTPGGGUCJPJBD-DZGCQCFKSA-N 0 3 335.404 2.081 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272387561 464589873 /nfs/dbraw/zinc/58/98/73/464589873.db2.gz TVUVQTJQYATMFL-LBPRGKRZSA-N 0 3 341.358 2.487 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294737185 464591031 /nfs/dbraw/zinc/59/10/31/464591031.db2.gz WFQCEXQQALRQGA-LLVKDONJSA-N 0 3 339.367 2.347 20 5 EEBDHN CCN(C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272434468 464606738 /nfs/dbraw/zinc/60/67/38/464606738.db2.gz JYGYWGHMJTZAQK-UHFFFAOYSA-N 0 3 328.800 2.042 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175848353 464641477 /nfs/dbraw/zinc/64/14/77/464641477.db2.gz WDDOIUKXBQBDIU-OLZOCXBDSA-N 0 3 336.417 2.441 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152589 464723882 /nfs/dbraw/zinc/72/38/82/464723882.db2.gz AJVXTCQRKXYXNO-MZPVMMEZSA-N 0 3 347.415 2.133 20 5 EEBDHN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000295452132 464840723 /nfs/dbraw/zinc/84/07/23/464840723.db2.gz WPQOFNPISGQDDI-NSHDSACASA-N 0 3 343.387 2.027 20 5 EEBDHN Cc1c([C@H](C)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000183454223 464866190 /nfs/dbraw/zinc/86/61/90/464866190.db2.gz SCBPQDIEIJIVMK-HEHGZKQESA-N 0 3 335.404 2.190 20 5 EEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)c(OC)c1 ZINC000266923897 464872864 /nfs/dbraw/zinc/87/28/64/464872864.db2.gz QDLIKZQTUXFCFM-UHFFFAOYSA-N 0 3 334.376 2.331 20 5 EEBDHN CCCN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276344829 464898296 /nfs/dbraw/zinc/89/82/96/464898296.db2.gz SWUYIZABTRXKGQ-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CN1C1CC1 ZINC000177089764 464927166 /nfs/dbraw/zinc/92/71/66/464927166.db2.gz OQMTZIGNYGSUDI-NWDGAFQWSA-N 0 3 332.404 2.016 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000356855789 465580137 /nfs/dbraw/zinc/58/01/37/465580137.db2.gz KQMLXJFHQFPOFI-GFCCVEGCSA-N 0 3 345.346 2.353 20 5 EEBDHN CNc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361211583 465839926 /nfs/dbraw/zinc/83/99/26/465839926.db2.gz IROOGGPHFCLTBX-GFCCVEGCSA-N 0 3 332.404 2.383 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CC[C@H](CO)O3)o2)cc1 ZINC000353709084 466086868 /nfs/dbraw/zinc/08/68/68/466086868.db2.gz RZCYHGGCJUOYQR-GDBMZVCRSA-N 0 3 332.356 2.484 20 5 EEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000555535847 468481822 /nfs/dbraw/zinc/48/18/22/468481822.db2.gz RRWJOLMTUJLRQM-UHFFFAOYSA-N 0 3 332.404 2.125 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332072180 466371886 /nfs/dbraw/zinc/37/18/86/466371886.db2.gz VFNVHOXIKJDFOH-NSHDSACASA-N 0 3 345.403 2.273 20 5 EEBDHN CS[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1N(C)C ZINC000347425422 466627065 /nfs/dbraw/zinc/62/70/65/466627065.db2.gz DKUKZYGVMBZDHD-OLZOCXBDSA-N 0 3 333.417 2.020 20 5 EEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369775311 466752229 /nfs/dbraw/zinc/75/22/29/466752229.db2.gz XHTWEKOJTQIVIA-ZWKOTPCHSA-N 0 3 339.395 2.351 20 5 EEBDHN CN1CCN(C)[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317854 466832268 /nfs/dbraw/zinc/83/22/68/466832268.db2.gz XNHRUVGIDKPPPI-WMZOPIPTSA-N 0 3 332.448 2.198 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411990735 466960436 /nfs/dbraw/zinc/96/04/36/466960436.db2.gz RTZVYRZPTOGRGL-HZMBPMFUSA-N 0 3 348.321 2.491 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000417997900 467016874 /nfs/dbraw/zinc/01/68/74/467016874.db2.gz UQLDXGZXIYWWHW-MNOVXSKESA-N 0 3 340.811 2.183 20 5 EEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970292 467189750 /nfs/dbraw/zinc/18/97/50/467189750.db2.gz YOYKVOBQFOVYGY-STQMWFEESA-N 0 3 333.388 2.189 20 5 EEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451846863 467271827 /nfs/dbraw/zinc/27/18/27/467271827.db2.gz RTFLVOGHJBUMFZ-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C(=O)CN[C@@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000429311157 467323847 /nfs/dbraw/zinc/32/38/47/467323847.db2.gz BQCACXGXYDMOKG-CYBMUJFWSA-N 0 3 341.367 2.020 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420464674 467416065 /nfs/dbraw/zinc/41/60/65/467416065.db2.gz KJKUGZDYBVASET-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000420924699 467515931 /nfs/dbraw/zinc/51/59/31/467515931.db2.gz KGVYXFVUOYOJDF-QWHCGFSZSA-N 0 3 338.408 2.234 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457095192 467751391 /nfs/dbraw/zinc/75/13/91/467751391.db2.gz PWQXVGPPDOFVKI-CQSZACIVSA-N 0 3 335.404 2.223 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493100793 467841107 /nfs/dbraw/zinc/84/11/07/467841107.db2.gz WPCYHGUALZUFFV-PPDNHJNESA-N 0 3 333.363 2.300 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000493446614 467912683 /nfs/dbraw/zinc/91/26/83/467912683.db2.gz CTTSLJXELZTYMZ-FWQWQBSGSA-N 0 3 335.791 2.424 20 5 EEBDHN Cc1c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)oc2ccc(F)cc12 ZINC000517069291 468069795 /nfs/dbraw/zinc/06/97/95/468069795.db2.gz SURXRLIECBUATR-ZDUSSCGKSA-N 0 3 348.334 2.136 20 5 EEBDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488195741 468076760 /nfs/dbraw/zinc/07/67/60/468076760.db2.gz DKOLIWYLCSFFPW-CZUORRHYSA-N 0 3 334.420 2.194 20 5 EEBDHN CC(C)c1ccc(CN[C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594516460 468613384 /nfs/dbraw/zinc/61/33/84/468613384.db2.gz RRNCCLQSJNJWBJ-ZDUSSCGKSA-N 0 3 329.404 2.494 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522780 468614611 /nfs/dbraw/zinc/61/46/11/468614611.db2.gz SVTKNQWDQZBVBT-AAEUAGOBSA-N 0 3 345.403 2.330 20 5 EEBDHN COc1cccc(C(=O)N2CCNC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594629037 468640017 /nfs/dbraw/zinc/64/00/17/468640017.db2.gz XJJFQKCWMLGBPJ-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597709978 468646607 /nfs/dbraw/zinc/64/66/07/468646607.db2.gz FOJUZSXWDKFSCH-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597717058 468649054 /nfs/dbraw/zinc/64/90/54/468649054.db2.gz XPTRYYZZDCWLBV-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CO[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626258 468731521 /nfs/dbraw/zinc/73/15/21/468731521.db2.gz KGVJVZAPZFFDNY-SJLPKXTDSA-N 0 3 346.383 2.312 20 5 EEBDHN COCCN1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010508 468742649 /nfs/dbraw/zinc/74/26/49/468742649.db2.gz XCUCENRWCDSEBC-CYBMUJFWSA-N 0 3 337.420 2.365 20 5 EEBDHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1CCO ZINC000601170454 468769189 /nfs/dbraw/zinc/76/91/89/468769189.db2.gz ARQAPNKJQJDQMX-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN COc1ccc(OCCN2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679056 468951610 /nfs/dbraw/zinc/95/16/10/468951610.db2.gz UQZUIOUYHQJMBZ-HIFRSBDPSA-N 0 3 338.404 2.465 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCN1CCCOCC1 ZINC000602665129 468997251 /nfs/dbraw/zinc/99/72/51/468997251.db2.gz ZLRQOTHQNUSHMX-UHFFFAOYSA-N 0 3 347.337 2.426 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000585718721 469020137 /nfs/dbraw/zinc/02/01/37/469020137.db2.gz UZWKWMQGBPVINF-INIZCTEOSA-N 0 3 349.431 2.290 20 5 EEBDHN O=C1CCCC12CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595818613 469026679 /nfs/dbraw/zinc/02/66/79/469026679.db2.gz QUIPGQAILSZBRE-AWEZNQCLSA-N 0 3 348.399 2.170 20 5 EEBDHN COc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1[N+](=O)[O-] ZINC000595920323 469084603 /nfs/dbraw/zinc/08/46/03/469084603.db2.gz RHEMXMUTZXOVSW-UHFFFAOYSA-N 0 3 347.396 2.241 20 5 EEBDHN O=c1[n-]ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000596187035 469191653 /nfs/dbraw/zinc/19/16/53/469191653.db2.gz ZEZYZSPAYMXKGJ-UHFFFAOYSA-N 0 3 329.360 2.419 20 5 EEBDHN COCC(=O)NC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836033 469323906 /nfs/dbraw/zinc/32/39/06/469323906.db2.gz IVESAURVEVAQAQ-UVTDQMKNSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000618935273 469475892 /nfs/dbraw/zinc/47/58/92/469475892.db2.gz CMUDMSKZCDVEKJ-GXTWGEPZSA-N 0 3 343.387 2.101 20 5 EEBDHN C[C@@H](C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000619844922 469688981 /nfs/dbraw/zinc/68/89/81/469688981.db2.gz VGHHUWSIGXYXDS-LBPRGKRZSA-N 0 3 343.449 2.145 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc3c(c2)OCCO3)cc1 ZINC000731678770 577115955 /nfs/dbraw/zinc/11/59/55/577115955.db2.gz PIFXRJCJUBPPEA-HNNXBMFYSA-N 0 3 330.340 2.189 20 5 EEBDHN CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000772576269 577283328 /nfs/dbraw/zinc/28/33/28/577283328.db2.gz DLCVPBQBWUPPGU-OLZOCXBDSA-N 0 3 347.444 2.259 20 5 EEBDHN COc1ccc([C@H](CCO)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606366 577464176 /nfs/dbraw/zinc/46/41/76/577464176.db2.gz VTZGTVBUQCOKPD-ZWKOTPCHSA-N 0 3 346.383 2.350 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000765424138 577500794 /nfs/dbraw/zinc/50/07/94/577500794.db2.gz BSDKRQDNEUYHAN-QWHCGFSZSA-N 0 3 341.408 2.160 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCSC3(CCOCC3)C2)cc1 ZINC000770685238 577601698 /nfs/dbraw/zinc/60/16/98/577601698.db2.gz NQNKZHNQXSIRCX-OAHLLOKOSA-N 0 3 338.429 2.226 20 5 EEBDHN CC(F)(F)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000982988883 681617019 /nfs/dbraw/zinc/61/70/19/681617019.db2.gz VYGRBQOALJDILA-CZMCAQCFSA-N 0 3 333.360 2.296 20 5 EEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC000983154449 681912131 /nfs/dbraw/zinc/91/21/31/681912131.db2.gz XUTFOPGODLTDLH-UMSPYCQHSA-N 0 3 334.401 2.283 20 5 EEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264528 684386236 /nfs/dbraw/zinc/38/62/36/684386236.db2.gz FUFKGLBZGZQHDA-CVEARBPZSA-N 0 3 332.404 2.015 20 5 EEBDHN O=C(c1ccccn1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989852726 692388507 /nfs/dbraw/zinc/38/85/07/692388507.db2.gz MDRSXNBVRYRXOP-UHFFFAOYSA-N 0 3 346.412 2.446 20 5 EEBDHN CCc1ncsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128894504 1195992972 /nfs/dbraw/zinc/99/29/72/1195992972.db2.gz MFTOIKVEALTPTJ-UHFFFAOYSA-N 0 3 334.401 2.133 20 5 EEBDHN Cc1cccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001133179324 1200554784 /nfs/dbraw/zinc/55/47/84/1200554784.db2.gz PVWDTOTZYSQUSA-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN CC(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105554 1201096738 /nfs/dbraw/zinc/09/67/38/1201096738.db2.gz OJSXAYWGRRQQTJ-SNVBAGLBSA-N 0 3 328.752 2.058 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813110346 1201121854 /nfs/dbraw/zinc/12/18/54/1201121854.db2.gz YHBZLDDGELHMOG-JSGCOSHPSA-N 0 3 342.351 2.401 20 5 EEBDHN CC(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813111835 1201123498 /nfs/dbraw/zinc/12/34/98/1201123498.db2.gz AQGPUOBHNGXWHN-LBPRGKRZSA-N 0 3 340.335 2.363 20 5 EEBDHN CC(COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)[N+](=O)[O-] ZINC000813112666 1201123545 /nfs/dbraw/zinc/12/35/45/1201123545.db2.gz SMAHQNIASJUMCR-QMMMGPOBSA-N 0 3 336.325 2.361 20 5 EEBDHN COc1ccc(CN(CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000880571140 1201526116 /nfs/dbraw/zinc/52/61/16/1201526116.db2.gz MCOIPTFTSZRFGT-GOSISDBHSA-N 0 3 346.383 2.131 20 5 EEBDHN CC(F)(F)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048643662 1238172881 /nfs/dbraw/zinc/17/28/81/1238172881.db2.gz SGRSTRKKYMUDST-BETUJISGSA-N 0 3 339.342 2.140 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097230865 1243855875 /nfs/dbraw/zinc/85/58/75/1243855875.db2.gz AXVNCTWWEQLUNM-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1F ZINC001215728747 1296979622 /nfs/dbraw/zinc/97/96/22/1296979622.db2.gz HMPQRNKXAZYNAE-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN CCCN(C)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103434740 1302957163 /nfs/dbraw/zinc/95/71/63/1302957163.db2.gz UEARFROXHVSCCB-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3ccccn3)C2)c1 ZINC000799195847 1305182600 /nfs/dbraw/zinc/18/26/00/1305182600.db2.gz LZMOHKOOVJAHMK-GOEBONIOSA-N 0 3 343.383 2.219 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857458 1315625106 /nfs/dbraw/zinc/62/51/06/1315625106.db2.gz ZKYDIMXBSPSBDM-VHSXEESVSA-N 0 3 326.784 2.140 20 5 EEBDHN COc1cccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001149771657 1316040081 /nfs/dbraw/zinc/04/00/81/1316040081.db2.gz XVGUSPMPJCNUHV-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3ncccn3)CC1)C2 ZINC001254602101 1318139643 /nfs/dbraw/zinc/13/96/43/1318139643.db2.gz BEZIGZWKZBVFRS-MRXNPFEDSA-N 0 3 340.383 2.395 20 5 EEBDHN Nc1cc(NCC2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161245919 1320432751 /nfs/dbraw/zinc/43/27/51/1320432751.db2.gz GEYZYHULKGTAIP-UHFFFAOYSA-N 0 3 342.403 2.291 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001166899567 1321812484 /nfs/dbraw/zinc/81/24/84/1321812484.db2.gz CCLCJUVNGVFDEU-KRWDZBQOSA-N 0 3 328.372 2.477 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001307120076 1331510103 /nfs/dbraw/zinc/51/01/03/1331510103.db2.gz LUXDKJPHRNVBTP-CQSZACIVSA-N 0 3 329.404 2.287 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(C)(C)C)CC1 ZINC001324156394 1333620553 /nfs/dbraw/zinc/62/05/53/1333620553.db2.gz RERIPQCHQNCZMP-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609214889 1351895743 /nfs/dbraw/zinc/89/57/43/1351895743.db2.gz IIICUHDFOOYEJP-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609214889 1351895745 /nfs/dbraw/zinc/89/57/45/1351895745.db2.gz IIICUHDFOOYEJP-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN C[NH+](C)C1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCCC1 ZINC001609266332 1351915602 /nfs/dbraw/zinc/91/56/02/1351915602.db2.gz ZUKAXQRVLYNSRS-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001331680145 1335057392 /nfs/dbraw/zinc/05/73/92/1335057392.db2.gz MQRKZLBKRGPFJY-RISCZKNCSA-N 0 3 330.388 2.245 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[NH+]1CCCCCC1 ZINC001609600040 1352029985 /nfs/dbraw/zinc/02/99/85/1352029985.db2.gz NRSBCJBREIGNCR-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[NH+]1CCCCCC1 ZINC001609600040 1352029990 /nfs/dbraw/zinc/02/99/90/1352029990.db2.gz NRSBCJBREIGNCR-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001333710539 1336111499 /nfs/dbraw/zinc/11/14/99/1336111499.db2.gz LKAMSYOOILRWGY-BETUJISGSA-N 0 3 338.408 2.300 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC001334609672 1336275233 /nfs/dbraw/zinc/27/52/33/1336275233.db2.gz IWDUWUYDBYGWOF-CQSZACIVSA-N 0 3 346.431 2.409 20 5 EEBDHN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092305 1371273475 /nfs/dbraw/zinc/27/34/75/1371273475.db2.gz UGULNNOYZWEEES-SJCJKPOMSA-N 0 3 332.356 2.172 20 5 EEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cncs1 ZINC001754050766 1406821845 /nfs/dbraw/zinc/82/18/45/1406821845.db2.gz JZRUJUVBXVORCK-UHFFFAOYSA-N 0 3 348.428 2.232 20 5 EEBDHN CCN(CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000112200176 777177043 /nfs/dbraw/zinc/17/70/43/777177043.db2.gz JOARURPNCYVMBX-UHFFFAOYSA-N 0 3 332.360 2.053 20 5 EEBDHN CCN(CC)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091458829 790891629 /nfs/dbraw/zinc/89/16/29/790891629.db2.gz JHXLSNNOQFUDOI-HDJSIYSDSA-N 0 3 334.420 2.243 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082829 785393767 /nfs/dbraw/zinc/39/37/67/785393767.db2.gz SPDBSNIVJNLKIO-NVXWUHKLSA-N 0 3 328.372 2.394 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107392086 787106846 /nfs/dbraw/zinc/10/68/46/787106846.db2.gz SZUTXGJKAZJANL-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN NCc1cn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173005814 797194165 /nfs/dbraw/zinc/19/41/65/797194165.db2.gz KLLIWFKEOVTMEZ-UHFFFAOYSA-N 0 3 337.330 2.370 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001095228695 797552673 /nfs/dbraw/zinc/55/26/73/797552673.db2.gz RITOUOBHMVDABI-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)nc1N1CCNC[C@H]1c1cccs1 ZINC001156089285 803194110 /nfs/dbraw/zinc/19/41/10/803194110.db2.gz IVGURPGENIEUTF-QMMMGPOBSA-N 0 3 325.781 2.251 20 5 EEBDHN Cc1cnoc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086524462 803296572 /nfs/dbraw/zinc/29/65/72/803296572.db2.gz SIBUFZMECRNSKC-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055669 529793708 /nfs/dbraw/zinc/79/37/08/529793708.db2.gz OZEBXLYTHDGQPL-VIFPVBQESA-N 0 3 342.193 2.039 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066143498 215016590 /nfs/dbraw/zinc/01/65/90/215016590.db2.gz DFQRUYXCZMGYDP-CYBMUJFWSA-N 0 3 348.359 2.122 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000186808010 236028619 /nfs/dbraw/zinc/02/86/19/236028619.db2.gz HOKOFFUVHQIQTL-OAHLLOKOSA-N 0 3 338.429 2.226 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451498303 243134649 /nfs/dbraw/zinc/13/46/49/243134649.db2.gz XFOHPLKPLDCWNZ-XYPHTWIQSA-N 0 3 345.399 2.389 20 5 EEBDHN CCO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451534639 243147996 /nfs/dbraw/zinc/14/79/96/243147996.db2.gz XXMWFHZWSFLWTI-JLJPHGGASA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602120 243173762 /nfs/dbraw/zinc/17/37/62/243173762.db2.gz INFUAJYNFABUMS-QAPCUYQASA-N 0 3 347.415 2.228 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773472 245242519 /nfs/dbraw/zinc/24/25/19/245242519.db2.gz STTCOJXQODXLIN-CABCVRRESA-N 0 3 349.387 2.089 20 5 EEBDHN COC(=O)[C@@H]1CC12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000265008950 247132346 /nfs/dbraw/zinc/13/23/46/247132346.db2.gz FLJPWFRZTKIMSO-HNNXBMFYSA-N 0 3 334.372 2.249 20 5 EEBDHN CCO[C@H]1C[C@H](O)C12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063645 248071534 /nfs/dbraw/zinc/07/15/34/248071534.db2.gz WJHNSPNSHIIXFG-IRXDYDNUSA-N 0 3 334.416 2.389 20 5 EEBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267527390 256066557 /nfs/dbraw/zinc/06/65/57/256066557.db2.gz OPLQVVIYHAOIME-GFCCVEGCSA-N 0 3 344.371 2.015 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000270453839 256137076 /nfs/dbraw/zinc/13/70/76/256137076.db2.gz LHRDMXWJCUQDLB-AWEZNQCLSA-N 0 3 340.387 2.306 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000276014195 256395452 /nfs/dbraw/zinc/39/54/52/256395452.db2.gz QHBZUIQGMKDFNH-UHFFFAOYSA-N 0 3 332.404 2.383 20 5 EEBDHN CC(C)OCCOC[C@@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265313 256368949 /nfs/dbraw/zinc/36/89/49/256368949.db2.gz YIYFMBCPMTYPIS-YOEHRIQHSA-N 0 3 340.420 2.390 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000119428613 159377732 /nfs/dbraw/zinc/37/77/32/159377732.db2.gz PFQXZAWZLQPOHI-GFCCVEGCSA-N 0 3 345.403 2.188 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000344120974 161200062 /nfs/dbraw/zinc/20/00/62/161200062.db2.gz SBHGJOGXLDTDGO-IAOVAPTHSA-N 0 3 347.415 2.340 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(CC)CC ZINC000360021952 164217863 /nfs/dbraw/zinc/21/78/63/164217863.db2.gz GLWLGCQKDXIAOK-LBPRGKRZSA-N 0 3 343.449 2.166 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295965 164277743 /nfs/dbraw/zinc/27/77/43/164277743.db2.gz KOQKGLAMUIGLJQ-DZGCQCFKSA-N 0 3 342.399 2.184 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000374871965 167056987 /nfs/dbraw/zinc/05/69/87/167056987.db2.gz CSBPIKMMBQEDHD-WFASDCNBSA-N 0 3 333.388 2.160 20 5 EEBDHN COC[C@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274797973 269054253 /nfs/dbraw/zinc/05/42/53/269054253.db2.gz DQTZOGGRXXXCDO-LBPRGKRZSA-N 0 3 333.392 2.018 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000274835037 269061085 /nfs/dbraw/zinc/06/10/85/269061085.db2.gz SDDZTXBMSZAVND-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277801733 269184888 /nfs/dbraw/zinc/18/48/88/269184888.db2.gz PLWBSLNAVOKEPG-NUTKFTJISA-N 0 3 330.388 2.097 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278886678 269248052 /nfs/dbraw/zinc/24/80/52/269248052.db2.gz NRKADPVBRWQYJS-UHFFFAOYSA-N 0 3 344.419 2.204 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000278959983 269253436 /nfs/dbraw/zinc/25/34/36/269253436.db2.gz ZZXPXMVPLKKLKF-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000105790507 274271388 /nfs/dbraw/zinc/27/13/88/274271388.db2.gz QTBCGCZMFNVABI-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN CC[C@H](NC[C@H](O)CO[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342694 274349166 /nfs/dbraw/zinc/34/91/66/274349166.db2.gz MACRONZMNWLQOA-KCXAZCMYSA-N 0 3 326.393 2.048 20 5 EEBDHN CCCN(CCN1CCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000286223423 274849933 /nfs/dbraw/zinc/84/99/33/274849933.db2.gz DEENHXAJAYJXKL-UHFFFAOYSA-N 0 3 334.420 2.267 20 5 EEBDHN COc1ccc(C[C@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc1O ZINC000289574078 275128888 /nfs/dbraw/zinc/12/88/88/275128888.db2.gz ZYCLABJOOUTJKE-HNNXBMFYSA-N 0 3 346.383 2.250 20 5 EEBDHN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000290882382 275248840 /nfs/dbraw/zinc/24/88/40/275248840.db2.gz CCKAUMDBPITEMI-BXUZGUMPSA-N 0 3 343.387 2.192 20 5 EEBDHN CN1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344980743 277153690 /nfs/dbraw/zinc/15/36/90/277153690.db2.gz WLYGBNMQVPYTOJ-CABCVRRESA-N 0 3 325.796 2.153 20 5 EEBDHN C[C@@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000344206081 277564293 /nfs/dbraw/zinc/56/42/93/277564293.db2.gz DUJJPKWXXKGQOE-LBPRGKRZSA-N 0 3 327.812 2.449 20 5 EEBDHN CS[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1N(C)C ZINC000340742147 278157129 /nfs/dbraw/zinc/15/71/29/278157129.db2.gz KHNMKIRQIJZANY-QWHCGFSZSA-N 0 3 349.416 2.127 20 5 EEBDHN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293753720 293287352 /nfs/dbraw/zinc/28/73/52/293287352.db2.gz SUVTXZAQYBLIOA-LBPRGKRZSA-N 0 3 332.404 2.123 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000293782866 293293913 /nfs/dbraw/zinc/29/39/13/293293913.db2.gz BWOFTQKSJJOUKX-OBJOEFQTSA-N 0 3 326.418 2.081 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000297523159 294268651 /nfs/dbraw/zinc/26/86/51/294268651.db2.gz BKWDGZHYIQHDES-ZWNOBZJWSA-N 0 3 339.367 2.155 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000297959577 294383608 /nfs/dbraw/zinc/38/36/08/294383608.db2.gz VBLKZJLKUGHBNZ-HNNXBMFYSA-N 0 3 325.315 2.041 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448693157 315376526 /nfs/dbraw/zinc/37/65/26/315376526.db2.gz ZSEXKZDQKRDLQL-LLVKDONJSA-N 0 3 339.367 2.347 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000514735714 316418319 /nfs/dbraw/zinc/41/83/19/316418319.db2.gz PTLKMYJFHFFQHQ-UHFFFAOYSA-N 0 3 330.388 2.137 20 5 EEBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(OCCN(C)C)c1 ZINC000524119713 317008444 /nfs/dbraw/zinc/00/84/44/317008444.db2.gz ZVBVHXQHRUGNPB-UHFFFAOYSA-N 0 3 346.387 2.434 20 5 EEBDHN C[C@H](CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141120 318070990 /nfs/dbraw/zinc/07/09/90/318070990.db2.gz CTZBLXWHIODAQO-UMVBOHGHSA-N 0 3 340.445 2.329 20 5 EEBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(Cc2ccccc2)C1 ZINC000566404523 319281946 /nfs/dbraw/zinc/28/19/46/319281946.db2.gz ZYBLOUGIXGLQMF-QGZVFWFLSA-N 0 3 328.372 2.317 20 5 EEBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000576449062 320172512 /nfs/dbraw/zinc/17/25/12/320172512.db2.gz BBAQZXQTVGURLM-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295946791 465031118 /nfs/dbraw/zinc/03/11/18/465031118.db2.gz GSZXFROYWGXVHX-LBPRGKRZSA-N 0 3 334.376 2.419 20 5 EEBDHN COc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497799 465187047 /nfs/dbraw/zinc/18/70/47/465187047.db2.gz YBGCZYFYKKSJSZ-ZIAGYGMSSA-N 0 3 331.376 2.468 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3ccccc3CC2)c1 ZINC000116302026 462751957 /nfs/dbraw/zinc/75/19/57/462751957.db2.gz ZRBGEJQOYSMOMF-SFHVURJKSA-N 0 3 342.395 2.435 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)cc1 ZINC000090538937 462796285 /nfs/dbraw/zinc/79/62/85/462796285.db2.gz JNSTXPZZVFYOHO-CYBMUJFWSA-N 0 3 326.360 2.328 20 5 EEBDHN CCN1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066043169 462847280 /nfs/dbraw/zinc/84/72/80/462847280.db2.gz MLVIDIGMXMFABW-UHFFFAOYSA-N 0 3 330.388 2.150 20 5 EEBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000066816533 462933477 /nfs/dbraw/zinc/93/34/77/462933477.db2.gz CORKYKHLHGDBKI-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN Cc1cc(NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641138 462967526 /nfs/dbraw/zinc/96/75/26/462967526.db2.gz LBXGNRVZSUAZLZ-MRXNPFEDSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641139 462967764 /nfs/dbraw/zinc/96/77/64/462967764.db2.gz LBXGNRVZSUAZLZ-INIZCTEOSA-N 0 3 334.420 2.258 20 5 EEBDHN Nc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000068134452 463097138 /nfs/dbraw/zinc/09/71/38/463097138.db2.gz YYESJHKWXSWWAN-AWEZNQCLSA-N 0 3 332.404 2.268 20 5 EEBDHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000141838407 463356915 /nfs/dbraw/zinc/35/69/15/463356915.db2.gz LHYMXUNTWWDPCN-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000071928319 463477341 /nfs/dbraw/zinc/47/73/41/463477341.db2.gz MJYXEPIJNWYEMC-DZGCQCFKSA-N 0 3 325.368 2.376 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000163174971 463569135 /nfs/dbraw/zinc/56/91/35/463569135.db2.gz AHZBXQRLEYUASN-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073664532 463640208 /nfs/dbraw/zinc/64/02/08/463640208.db2.gz JPVXLANFVPGQOR-AWEZNQCLSA-N 0 3 334.420 2.311 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000170713104 463698739 /nfs/dbraw/zinc/69/87/39/463698739.db2.gz DAHQWHLJYLVXQQ-CJNGLKHVSA-N 0 3 332.404 2.092 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170774774 463704290 /nfs/dbraw/zinc/70/42/90/463704290.db2.gz IHBQSNVGNYCSKW-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN O=c1[nH]c(N2CC[C@@H](N3CCCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000287235633 463842412 /nfs/dbraw/zinc/84/24/12/463842412.db2.gz JHTNMSXCVZFUTG-CYBMUJFWSA-N 0 3 343.387 2.308 20 5 EEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016470 463844499 /nfs/dbraw/zinc/84/44/99/463844499.db2.gz QMMZVXVQKHUVIN-ZBFHGGJFSA-N 0 3 333.388 2.031 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277055256 463858205 /nfs/dbraw/zinc/85/82/05/463858205.db2.gz HJAXIRIOZHDIKF-LBPRGKRZSA-N 0 3 339.415 2.002 20 5 EEBDHN C[C@H]1C[C@H](C)CN(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770086 468386220 /nfs/dbraw/zinc/38/62/20/468386220.db2.gz OXRJGWAESHIFCL-RYUDHWBXSA-N 0 3 331.372 2.169 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262130165 463954596 /nfs/dbraw/zinc/95/45/96/463954596.db2.gz CYADBKFHWJTZJM-DLBZAZTESA-N 0 3 325.368 2.091 20 5 EEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCC1 ZINC000292722913 464320485 /nfs/dbraw/zinc/32/04/85/464320485.db2.gz FWRVNRNIOXDYSA-UHFFFAOYSA-N 0 3 341.433 2.139 20 5 EEBDHN CCN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294519625 464524412 /nfs/dbraw/zinc/52/44/12/464524412.db2.gz GPTRFRSEJPNGHA-UHFFFAOYSA-N 0 3 343.387 2.153 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272226273 464525846 /nfs/dbraw/zinc/52/58/46/464525846.db2.gz CWXXDBQLIIYURN-RISCZKNCSA-N 0 3 334.376 2.161 20 5 EEBDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381613 464544122 /nfs/dbraw/zinc/54/41/22/464544122.db2.gz ABLJQNQLLZQLBU-WFASDCNBSA-N 0 3 335.404 2.209 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(N3CCc4ccccc43)CC2)n1 ZINC000282189461 464727966 /nfs/dbraw/zinc/72/79/66/464727966.db2.gz WLNZZVDUMKHWCO-UHFFFAOYSA-N 0 3 341.415 2.318 20 5 EEBDHN COCCOCCOCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000276253110 464865557 /nfs/dbraw/zinc/86/55/57/464865557.db2.gz NRYFJNOFGLWETC-CQSZACIVSA-N 0 3 326.393 2.267 20 5 EEBDHN CN(CCOCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000282585132 464876119 /nfs/dbraw/zinc/87/61/19/464876119.db2.gz VFONDQSPKPOPEE-UHFFFAOYSA-N 0 3 327.380 2.387 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249789766 464916569 /nfs/dbraw/zinc/91/65/69/464916569.db2.gz FAXMJFOJDNLEIS-BLLLJJGKSA-N 0 3 330.388 2.198 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000356344266 465326109 /nfs/dbraw/zinc/32/61/09/465326109.db2.gz LKUYQDBXTHJYDP-ILJUCERVSA-N 0 3 342.399 2.330 20 5 EEBDHN CCN1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348201574 465487766 /nfs/dbraw/zinc/48/77/66/465487766.db2.gz QAMDVQBHBMVTSC-MRXNPFEDSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1C ZINC000299325572 465698575 /nfs/dbraw/zinc/69/85/75/465698575.db2.gz PNLFYVDNQSDVPL-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000361076428 465749463 /nfs/dbraw/zinc/74/94/63/465749463.db2.gz PKMUKVFGRRYKEL-UHFFFAOYSA-N 0 3 346.387 2.136 20 5 EEBDHN CNc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361211584 465840442 /nfs/dbraw/zinc/84/04/42/465840442.db2.gz IROOGGPHFCLTBX-LBPRGKRZSA-N 0 3 332.404 2.383 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301279690 465935680 /nfs/dbraw/zinc/93/56/80/465935680.db2.gz NMCZZLLTLAPYGP-LLVKDONJSA-N 0 3 327.816 2.081 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000346181170 465968467 /nfs/dbraw/zinc/96/84/67/465968467.db2.gz HWKFJEBLHJHXMT-GDZNZVCISA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209454 465993669 /nfs/dbraw/zinc/99/36/69/465993669.db2.gz XSJJYTNSIDSMSW-GRDNDAEWSA-N 0 3 346.431 2.195 20 5 EEBDHN CNc1c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216386 465999826 /nfs/dbraw/zinc/99/98/26/465999826.db2.gz INJDWGMKRACHCX-DVOMOZLQSA-N 0 3 346.431 2.439 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230211 466010779 /nfs/dbraw/zinc/01/07/79/466010779.db2.gz MEUSEROJOBDWHB-GDZNZVCISA-N 0 3 349.406 2.465 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254450 466031924 /nfs/dbraw/zinc/03/19/24/466031924.db2.gz BCMSXTKTJTXOCT-GRDNDAEWSA-N 0 3 331.416 2.326 20 5 EEBDHN COc1c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263800 466040393 /nfs/dbraw/zinc/04/03/93/466040393.db2.gz NJTQBVOSMVUXKI-DVOMOZLQSA-N 0 3 347.415 2.406 20 5 EEBDHN CCOc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302534322 466151162 /nfs/dbraw/zinc/15/11/62/466151162.db2.gz MDBIEJVPERQPRA-CYBMUJFWSA-N 0 3 337.420 2.275 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)(C)CN(C)C ZINC000302642664 466161048 /nfs/dbraw/zinc/16/10/48/466161048.db2.gz LNBMRCDDEOYJOM-NSHDSACASA-N 0 3 343.449 2.387 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C(F)F)CC2)c1 ZINC000361701024 466216730 /nfs/dbraw/zinc/21/67/30/466216730.db2.gz ZVTRFDKIFVKSPM-CYBMUJFWSA-N 0 3 330.331 2.312 20 5 EEBDHN COc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000331879411 466287512 /nfs/dbraw/zinc/28/75/12/466287512.db2.gz IGNQWLHVMKOKBE-KBPBESRZSA-N 0 3 333.388 2.094 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000597236098 468491192 /nfs/dbraw/zinc/49/11/92/468491192.db2.gz NVVPODRXNDQJNA-UGSOOPFHSA-N 0 3 344.415 2.446 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332313133 466503175 /nfs/dbraw/zinc/50/31/75/466503175.db2.gz IGBBEQDZNFECHG-VXGBXAGGSA-N 0 3 328.372 2.356 20 5 EEBDHN CN(CC(=O)NCCN1CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000347447061 466636176 /nfs/dbraw/zinc/63/61/76/466636176.db2.gz PJMKMSDGOYSPRJ-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN Cn1cc(CN2CC([C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368443149 466637134 /nfs/dbraw/zinc/63/71/34/466637134.db2.gz SCAXWTSDWGBWHJ-CQSZACIVSA-N 0 3 342.399 2.464 20 5 EEBDHN O=C(NCCCNCc1cccnc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000325411930 466658113 /nfs/dbraw/zinc/65/81/13/466658113.db2.gz UCOGXXARPSXCIT-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000373271001 466748631 /nfs/dbraw/zinc/74/86/31/466748631.db2.gz CARGCOOMGXEULQ-MRXNPFEDSA-N 0 3 330.388 2.032 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@@H](O)CN3CCCCC3)c2c1 ZINC000413053557 467161700 /nfs/dbraw/zinc/16/17/00/467161700.db2.gz KBZWPFNQNDYSQI-OAHLLOKOSA-N 0 3 330.388 2.402 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1C ZINC000413124911 467174558 /nfs/dbraw/zinc/17/45/58/467174558.db2.gz DTRPMUFVYKJCBR-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000451080221 467242112 /nfs/dbraw/zinc/24/21/12/467242112.db2.gz BBNVEGUESJMCEW-CYBMUJFWSA-N 0 3 346.431 2.258 20 5 EEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420472313 467419116 /nfs/dbraw/zinc/41/91/16/467419116.db2.gz SIDBJDDGTTYIIQ-ONGXEEELSA-N 0 3 347.824 2.044 20 5 EEBDHN CN(CCCN(C)c1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccco1 ZINC000420621590 467435856 /nfs/dbraw/zinc/43/58/56/467435856.db2.gz BYKMBUINLOIMPC-UHFFFAOYSA-N 0 3 346.387 2.245 20 5 EEBDHN COc1cc(CN[C@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])cc1F ZINC000421035908 467530756 /nfs/dbraw/zinc/53/07/56/467530756.db2.gz PPMBREREKZRTIG-LLVKDONJSA-N 0 3 342.367 2.416 20 5 EEBDHN CCCCN(C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448964280 467608610 /nfs/dbraw/zinc/60/86/10/467608610.db2.gz ZMYVJQMJLGMEFS-UHFFFAOYSA-N 0 3 327.356 2.204 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000449144675 467620647 /nfs/dbraw/zinc/62/06/47/467620647.db2.gz JNENLGHOFPKMIS-CMPLNLGQSA-N 0 3 345.321 2.279 20 5 EEBDHN CN1CCC[C@H](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458209437 467789539 /nfs/dbraw/zinc/78/95/39/467789539.db2.gz OOBHWAUNTUUYMU-CQSZACIVSA-N 0 3 347.415 2.406 20 5 EEBDHN CCN(CCN1CCCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000479109989 467998604 /nfs/dbraw/zinc/99/86/04/467998604.db2.gz WWASFMYZUFXEPJ-UHFFFAOYSA-N 0 3 335.408 2.142 20 5 EEBDHN COC(=O)c1cc(N2CCN(C)[C@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000487107527 468022936 /nfs/dbraw/zinc/02/29/36/468022936.db2.gz CMSYEDGGUBOIBH-HNNXBMFYSA-N 0 3 335.404 2.466 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195984 468508441 /nfs/dbraw/zinc/50/84/41/468508441.db2.gz JTRNOKDAVUBLOI-CABCVRRESA-N 0 3 343.387 2.218 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000569684074 468527772 /nfs/dbraw/zinc/52/77/72/468527772.db2.gz YVZZJGINAIRFET-UHFFFAOYSA-N 0 3 336.417 2.199 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597717088 468650031 /nfs/dbraw/zinc/65/00/31/468650031.db2.gz YIAZOMUPEDVIDI-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2)cc([N+](=O)[O-])c1 ZINC000600788522 468658178 /nfs/dbraw/zinc/65/81/78/468658178.db2.gz OAONDVATWVYASG-UHFFFAOYSA-N 0 3 341.367 2.458 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592379990 468686330 /nfs/dbraw/zinc/68/63/30/468686330.db2.gz GWNALFWYZOCGHV-JQWIXIFHSA-N 0 3 340.401 2.130 20 5 EEBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000571503732 468796798 /nfs/dbraw/zinc/79/67/98/468796798.db2.gz OEVRAKRUMFLTIA-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598260299 468809051 /nfs/dbraw/zinc/80/90/51/468809051.db2.gz ADBNOLMKFOCUKV-GFCCVEGCSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1cccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598260777 468810397 /nfs/dbraw/zinc/81/03/97/468810397.db2.gz NTRMCIQERMIDBM-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN COC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000584385956 468858044 /nfs/dbraw/zinc/85/80/44/468858044.db2.gz PMGZXCHEUWJKAA-UHFFFAOYSA-N 0 3 334.420 2.461 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996867 468869710 /nfs/dbraw/zinc/86/97/10/468869710.db2.gz IXBBCDAEZQKYHP-RHSMWYFYSA-N 0 3 347.415 2.449 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1 ZINC000598572723 468919012 /nfs/dbraw/zinc/91/90/12/468919012.db2.gz FYXIQNXIAYAKEY-HNNXBMFYSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598613138 468932731 /nfs/dbraw/zinc/93/27/31/468932731.db2.gz GECIAFUXSRDABX-LBPRGKRZSA-N 0 3 343.449 2.219 20 5 EEBDHN COc1ccc(OCCN2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695853 468958346 /nfs/dbraw/zinc/95/83/46/468958346.db2.gz IHMHTMINKWPRLJ-ZFWWWQNUSA-N 0 3 338.404 2.465 20 5 EEBDHN CCN(CCO)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602620421 468970177 /nfs/dbraw/zinc/97/01/77/468970177.db2.gz WSSUDZVKCCORDV-UHFFFAOYSA-N 0 3 335.326 2.017 20 5 EEBDHN Cc1cc(NCC[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593517657 469012952 /nfs/dbraw/zinc/01/29/52/469012952.db2.gz CWVIZRSQEJVFIM-QGZVFWFLSA-N 0 3 331.372 2.217 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000595804572 469020294 /nfs/dbraw/zinc/02/02/94/469020294.db2.gz ACOUPMYJQKLGRB-OAHLLOKOSA-N 0 3 334.420 2.263 20 5 EEBDHN Cc1ncc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969434 469118296 /nfs/dbraw/zinc/11/82/96/469118296.db2.gz RBSHZDXGMRQFBT-GWCFXTLKSA-N 0 3 337.401 2.450 20 5 EEBDHN CN(C)CCOC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122715 469166052 /nfs/dbraw/zinc/16/60/52/469166052.db2.gz BLSWPAGTRYNNHR-UHFFFAOYSA-N 0 3 328.800 2.190 20 5 EEBDHN CCN(C[C@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205147 469191374 /nfs/dbraw/zinc/19/13/74/469191374.db2.gz JPINBAUHFJIUMO-CJNGLKHVSA-N 0 3 333.388 2.059 20 5 EEBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000603084492 469255103 /nfs/dbraw/zinc/25/51/03/469255103.db2.gz QRHRPJYLAXUEIC-UHFFFAOYSA-N 0 3 326.356 2.342 20 5 EEBDHN COc1ccc(Cn2cc(CCN3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000603205987 469309332 /nfs/dbraw/zinc/30/93/32/469309332.db2.gz MZGSUZQRPJSFHY-UHFFFAOYSA-N 0 3 345.403 2.272 20 5 EEBDHN CCN[C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602437325 469316102 /nfs/dbraw/zinc/31/61/02/469316102.db2.gz HQDAARKQFGOERG-VIFPVBQESA-N 0 3 348.325 2.140 20 5 EEBDHN CCC(O)(CC)CN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000599673461 469333022 /nfs/dbraw/zinc/33/30/22/469333022.db2.gz PHHDZOHHYMRRKP-UHFFFAOYSA-N 0 3 326.393 2.465 20 5 EEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000610296720 470001168 /nfs/dbraw/zinc/00/11/68/470001168.db2.gz ITSJLVYPQYZHEG-OAHLLOKOSA-N 0 3 342.399 2.280 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171694138 534066026 /nfs/dbraw/zinc/06/60/26/534066026.db2.gz YPMNRERZZNMHMX-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN CC1([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183899951 528056778 /nfs/dbraw/zinc/05/67/78/528056778.db2.gz GCCUOMJYHUTZDT-AWEZNQCLSA-N 0 3 336.388 2.449 20 5 EEBDHN CCc1nn(C)cc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578663 535829246 /nfs/dbraw/zinc/82/92/46/535829246.db2.gz GIYQSQWXHLORFX-HUUCEWRRSA-N 0 3 332.408 2.361 20 5 EEBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000281003512 536296653 /nfs/dbraw/zinc/29/66/53/536296653.db2.gz DKZAVWXBDPPTFU-UHFFFAOYSA-N 0 3 343.330 2.410 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760341 536827513 /nfs/dbraw/zinc/82/75/13/536827513.db2.gz MHPZZEYFQRIMEY-HOTGVXAUSA-N 0 3 345.399 2.031 20 5 EEBDHN C[C@@H](N[C@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804112 577231167 /nfs/dbraw/zinc/23/11/67/577231167.db2.gz QMLNSXLHDLQBFY-NOZJJQNGSA-N 0 3 341.795 2.326 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000774822287 577419457 /nfs/dbraw/zinc/41/94/57/577419457.db2.gz ZXPACQIOYZZQQQ-UHFFFAOYSA-N 0 3 343.343 2.220 20 5 EEBDHN COCCS(=O)(=O)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550355 577439365 /nfs/dbraw/zinc/43/93/65/577439365.db2.gz ZWFSZRDJFOFVIM-CYBMUJFWSA-N 0 3 344.433 2.005 20 5 EEBDHN O=C(CNC1(CO)CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776591628 577463634 /nfs/dbraw/zinc/46/36/34/577463634.db2.gz RCONUCWQFORDMP-UHFFFAOYSA-N 0 3 341.795 2.472 20 5 EEBDHN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000758850710 577632368 /nfs/dbraw/zinc/63/23/68/577632368.db2.gz SGSGUIBEPAGHJZ-AWEZNQCLSA-N 0 3 334.420 2.311 20 5 EEBDHN C[C@H]1CN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CCCO1 ZINC000763053821 577713580 /nfs/dbraw/zinc/71/35/80/577713580.db2.gz GCAHTZXTUBBUNS-ZDUSSCGKSA-N 0 3 333.392 2.155 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581852 606474176 /nfs/dbraw/zinc/47/41/76/606474176.db2.gz WFHDHMJNLGTKBL-MNOVXSKESA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581852 606474177 /nfs/dbraw/zinc/47/41/77/606474177.db2.gz WFHDHMJNLGTKBL-MNOVXSKESA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C1CC1 ZINC000892302856 678661041 /nfs/dbraw/zinc/66/10/41/678661041.db2.gz CQXPSOKZOAONPH-LLVKDONJSA-N 0 3 330.388 2.341 20 5 EEBDHN C[C@@H]1C[N@H+](CCCOC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)CCO1 ZINC000893391555 685229092 /nfs/dbraw/zinc/22/90/92/685229092.db2.gz MNAMCZNETSXEFF-GFCCVEGCSA-N 0 3 347.371 2.344 20 5 EEBDHN C[C@@H]1C[N@@H+](CCCOC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)CCO1 ZINC000893391555 685229095 /nfs/dbraw/zinc/22/90/95/685229095.db2.gz MNAMCZNETSXEFF-GFCCVEGCSA-N 0 3 347.371 2.344 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1C ZINC000896979898 686022976 /nfs/dbraw/zinc/02/29/76/686022976.db2.gz RDTYGKYCZRHNCH-OAHLLOKOSA-N 0 3 347.415 2.195 20 5 EEBDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867403 1189943449 /nfs/dbraw/zinc/94/34/49/1189943449.db2.gz NJGRLFFPZDROAO-ZDMBXUJBSA-N 0 3 327.768 2.200 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100563 1201095445 /nfs/dbraw/zinc/09/54/45/1201095445.db2.gz UMHGMLLDVRPFCJ-IUPBHXKESA-N 0 3 340.763 2.068 20 5 EEBDHN CC(COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[N+](=O)[O-] ZINC000813112284 1201123522 /nfs/dbraw/zinc/12/35/22/1201123522.db2.gz OWYJYALJODYDHM-WRWORJQWSA-N 0 3 344.776 2.351 20 5 EEBDHN Cc1nn(C)c2nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c12 ZINC000813113900 1201123648 /nfs/dbraw/zinc/12/36/48/1201123648.db2.gz KKGXYEPKRIEKHZ-VIFPVBQESA-N 0 3 334.376 2.035 20 5 EEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476423 1205982255 /nfs/dbraw/zinc/98/22/55/1205982255.db2.gz SYQVMOCAKJXXEG-DOMZBBRYSA-N 0 3 346.387 2.062 20 5 EEBDHN C[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595561 1234537298 /nfs/dbraw/zinc/53/72/98/1234537298.db2.gz IUFZEAUMURYQRY-ZETCQYMHSA-N 0 3 326.154 2.017 20 5 EEBDHN C[C@@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641243 1234597889 /nfs/dbraw/zinc/59/78/89/1234597889.db2.gz PZFVNJLTRMCRKW-SSDOTTSWSA-N 0 3 326.154 2.017 20 5 EEBDHN C/C=C(\C)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048753400 1238526470 /nfs/dbraw/zinc/52/64/70/1238526470.db2.gz JJZIWCWIJLWWGU-NVAVRXRDSA-N 0 3 329.400 2.451 20 5 EEBDHN O=C(CCCF)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001202033920 1289901745 /nfs/dbraw/zinc/90/17/45/1289901745.db2.gz SFCHYODEXUEERN-UHFFFAOYSA-N 0 3 329.397 2.487 20 5 EEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCN1CC[C@H](O)C1 ZINC000862551752 1295877736 /nfs/dbraw/zinc/87/77/36/1295877736.db2.gz PBPPTXBXVRIROJ-NSHDSACASA-N 0 3 334.203 2.058 20 5 EEBDHN CO[C@@H]1CCN(CCOc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504798 1301027816 /nfs/dbraw/zinc/02/78/16/1301027816.db2.gz CAOALRKAMLRJSP-LLVKDONJSA-N 0 3 345.193 2.457 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC001111811199 1303924686 /nfs/dbraw/zinc/92/46/86/1303924686.db2.gz MOKMEDIPWJSLBN-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799190969 1305180728 /nfs/dbraw/zinc/18/07/28/1305180728.db2.gz VXOZUBXADAJTFH-CABCVRRESA-N 0 3 343.383 2.219 20 5 EEBDHN CN(CCCNC(=O)C1=COCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235465791 1305243901 /nfs/dbraw/zinc/24/39/01/1305243901.db2.gz ZMGSHHGDALGQEK-UHFFFAOYSA-N 0 3 333.388 2.227 20 5 EEBDHN COCCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001153015777 1316759856 /nfs/dbraw/zinc/75/98/56/1316759856.db2.gz QJWJLHHGOBRFSX-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN COC(=O)C[C@@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577552 1318127593 /nfs/dbraw/zinc/12/75/93/1318127593.db2.gz FMQMVSSVSUGYHW-DOTOQJQBSA-N 0 3 341.367 2.351 20 5 EEBDHN COc1ccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1OC ZINC001254583922 1318133370 /nfs/dbraw/zinc/13/33/70/1318133370.db2.gz DZPCWHGWRRVIIO-AWEZNQCLSA-N 0 3 329.356 2.264 20 5 EEBDHN COCCCN1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165098256 1321455081 /nfs/dbraw/zinc/45/50/81/1321455081.db2.gz VZRFQKNENYXBCK-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)[C@H](C)C2)n1 ZINC001336727691 1336586670 /nfs/dbraw/zinc/58/66/70/1336586670.db2.gz ZVSKMZBGQDBKHH-GFCCVEGCSA-N 0 3 348.403 2.230 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893747 1350796530 /nfs/dbraw/zinc/79/65/30/1350796530.db2.gz AMVSXJJSFJGPIN-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001603893747 1350796534 /nfs/dbraw/zinc/79/65/34/1350796534.db2.gz AMVSXJJSFJGPIN-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893747 1350796536 /nfs/dbraw/zinc/79/65/36/1350796536.db2.gz AMVSXJJSFJGPIN-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001603893747 1350796539 /nfs/dbraw/zinc/79/65/39/1350796539.db2.gz AMVSXJJSFJGPIN-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000184309430 782812495 /nfs/dbraw/zinc/81/24/95/782812495.db2.gz PMIUGSXBEQCIIA-UHFFFAOYSA-N 0 3 328.372 2.039 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000809769002 783339122 /nfs/dbraw/zinc/33/91/22/783339122.db2.gz ACBLROFBYKKVEI-LLVKDONJSA-N 0 3 332.809 2.163 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1 ZINC000912767578 788353448 /nfs/dbraw/zinc/35/34/48/788353448.db2.gz MSPQRMOBQNRTGG-NSHDSACASA-N 0 3 329.759 2.457 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC001127235479 792818389 /nfs/dbraw/zinc/81/83/89/792818389.db2.gz SZNWYTYHINGYBE-UHFFFAOYSA-N 0 3 343.387 2.036 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095233905 797566418 /nfs/dbraw/zinc/56/64/18/797566418.db2.gz YOOYBAOXJDXDGR-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)n1C ZINC001175658549 798188315 /nfs/dbraw/zinc/18/83/15/798188315.db2.gz FIKIYIJIMSYFDS-UHFFFAOYSA-N 0 3 344.415 2.460 20 5 EEBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047603 803593340 /nfs/dbraw/zinc/59/33/40/803593340.db2.gz RMELBBIRRWLWIP-OLZOCXBDSA-N 0 3 327.425 2.278 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170330098 809894582 /nfs/dbraw/zinc/89/45/82/809894582.db2.gz YPYNVHGEYFLVCL-GFCCVEGCSA-N 0 3 335.404 2.135 20 5 EEBDHN CCN(C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103206824 219270284 /nfs/dbraw/zinc/27/02/84/219270284.db2.gz KMTCIKRBWWRBMW-UHFFFAOYSA-N 0 3 327.406 2.007 20 5 EEBDHN O=C(CN[C@@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000181493292 234206013 /nfs/dbraw/zinc/20/60/13/234206013.db2.gz PDVPHJSUQYQNHE-AWEZNQCLSA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(CC(F)F)CC3)nc2c1 ZINC000446836247 242224755 /nfs/dbraw/zinc/22/47/55/242224755.db2.gz PQBCTAWANGRZBV-UHFFFAOYSA-N 0 3 339.346 2.290 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513611 242282158 /nfs/dbraw/zinc/28/21/58/242282158.db2.gz XPLTWUUCGFKABZ-GJZGRUSLSA-N 0 3 343.387 2.164 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797463 243157117 /nfs/dbraw/zinc/15/71/17/243157117.db2.gz ZBCZBYIZQWNGRS-JFILPPLUSA-N 0 3 333.388 2.469 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500166 243136582 /nfs/dbraw/zinc/13/65/82/243136582.db2.gz MVZORSDXGGMEEX-KNXALSJPSA-N 0 3 335.404 2.491 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000110998130 220090523 /nfs/dbraw/zinc/09/05/23/220090523.db2.gz CGUHSALMRXERIE-LBPRGKRZSA-N 0 3 331.376 2.075 20 5 EEBDHN CN(C)C/C=C\C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491946973 246226997 /nfs/dbraw/zinc/22/69/97/246226997.db2.gz COIDEBHZAUJLGA-ARJAWSKDSA-N 0 3 333.388 2.082 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCSC1 ZINC000267379327 256053874 /nfs/dbraw/zinc/05/38/74/256053874.db2.gz YZSAAEAQUZPWHQ-INIZCTEOSA-N 0 3 348.428 2.243 20 5 EEBDHN COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984922 256102438 /nfs/dbraw/zinc/10/24/38/256102438.db2.gz POHSDDQSKRCERY-YPMHNXCESA-N 0 3 348.403 2.028 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150648 256119142 /nfs/dbraw/zinc/11/91/42/256119142.db2.gz MOXXLMDEMHVOKL-MEBBXXQBSA-N 0 3 330.388 2.374 20 5 EEBDHN C[C@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@@H]1C1CC1 ZINC000273043690 256259895 /nfs/dbraw/zinc/25/98/95/256259895.db2.gz IZWTWSPCQJAEIE-MSOLQXFVSA-N 0 3 345.399 2.031 20 5 EEBDHN CCCC[C@@H](COC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273439920 256296722 /nfs/dbraw/zinc/29/67/22/256296722.db2.gz MOWBIRKESRCSFI-ZDUSSCGKSA-N 0 3 344.433 2.163 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000377283983 154123602 /nfs/dbraw/zinc/12/36/02/154123602.db2.gz WZJPKTJQHTYEMT-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119230771 159374824 /nfs/dbraw/zinc/37/48/24/159374824.db2.gz AEHURZGKQYYDJO-MRXNPFEDSA-N 0 3 334.420 2.311 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](N4CCCC4)C3)n2)c1 ZINC000170741653 159751859 /nfs/dbraw/zinc/75/18/59/159751859.db2.gz SNUZSONMZFMMFR-OAHLLOKOSA-N 0 3 343.387 2.315 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342721737 161085680 /nfs/dbraw/zinc/08/56/80/161085680.db2.gz IBIPBUDTJANAPB-GZBFAFLISA-N 0 3 334.420 2.303 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000344864176 161251918 /nfs/dbraw/zinc/25/19/18/161251918.db2.gz LQGVKORNUZISHI-DKTLHIEFSA-N 0 3 347.415 2.224 20 5 EEBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000352358831 162102837 /nfs/dbraw/zinc/10/28/37/162102837.db2.gz YRHNAWNREVYZAN-KRWDZBQOSA-N 0 3 345.399 2.106 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352593345 162203885 /nfs/dbraw/zinc/20/38/85/162203885.db2.gz PTCSVNQRCRQODJ-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN CN(C)CCOc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000354424652 162864527 /nfs/dbraw/zinc/86/45/27/162864527.db2.gz HJXWSVGDMSHKEB-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152388365 292489824 /nfs/dbraw/zinc/48/98/24/292489824.db2.gz FDRBBJLYELVTBY-UHFFFAOYSA-N 0 3 328.372 2.311 20 5 EEBDHN CO[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000359616204 164138143 /nfs/dbraw/zinc/13/81/43/164138143.db2.gz DJLMOZPUIKUJOS-AWEZNQCLSA-N 0 3 332.303 2.091 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCOC3(CCOCC3)CC2)c1 ZINC000364238710 165064865 /nfs/dbraw/zinc/06/48/65/165064865.db2.gz FVKRAFWFGJBKPT-UHFFFAOYSA-N 0 3 336.388 2.245 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000277626777 269165052 /nfs/dbraw/zinc/16/50/52/269165052.db2.gz WWMFROJMQYAOOR-OAHLLOKOSA-N 0 3 333.388 2.107 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894462 274119079 /nfs/dbraw/zinc/11/90/79/274119079.db2.gz CFRDROMBARUZHS-SRMUXQRQSA-N 0 3 345.399 2.469 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)C(F)(F)F ZINC000271540374 274140921 /nfs/dbraw/zinc/14/09/21/274140921.db2.gz QUVGSKIMHBIXBD-TVQRCGJNSA-N 0 3 349.309 2.215 20 5 EEBDHN CC(C)(COCc1ccccc1)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000281396057 292755436 /nfs/dbraw/zinc/75/54/36/292755436.db2.gz NDRXDRBYYRCPLC-UHFFFAOYSA-N 0 3 345.399 2.342 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294115018 293373875 /nfs/dbraw/zinc/37/38/75/293373875.db2.gz PGJWNSXPLURCIM-UHFFFAOYSA-N 0 3 343.343 2.351 20 5 EEBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009826 311935960 /nfs/dbraw/zinc/93/59/60/311935960.db2.gz DFBCKKFJHLKRBR-VXGBXAGGSA-N 0 3 349.387 2.127 20 5 EEBDHN COc1c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000332082382 311946331 /nfs/dbraw/zinc/94/63/31/311946331.db2.gz NZLHKWFOVGCWOG-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000421707205 314146331 /nfs/dbraw/zinc/14/63/31/314146331.db2.gz WWBDQVGNTJUPGC-OAHLLOKOSA-N 0 3 330.388 2.102 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000421762736 314157883 /nfs/dbraw/zinc/15/78/83/314157883.db2.gz OCIOSKORAMUJGR-OAHLLOKOSA-N 0 3 349.431 2.394 20 5 EEBDHN CCCCN(C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445090483 315342564 /nfs/dbraw/zinc/34/25/64/315342564.db2.gz VPLHRIVDWCULOM-UHFFFAOYSA-N 0 3 348.407 2.002 20 5 EEBDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452086352 315493082 /nfs/dbraw/zinc/49/30/82/315493082.db2.gz PCZQVGRJGSJQSZ-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000537311404 318015989 /nfs/dbraw/zinc/01/59/89/318015989.db2.gz OLSRUAPTCZXIBS-CQSZACIVSA-N 0 3 335.404 2.130 20 5 EEBDHN COc1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238417 318741842 /nfs/dbraw/zinc/74/18/42/318741842.db2.gz DUPKWHCFFKAZJP-HNNXBMFYSA-N 0 3 332.356 2.133 20 5 EEBDHN C[C@@H](C(=O)N1CCC(OCCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562299973 318867012 /nfs/dbraw/zinc/86/70/12/318867012.db2.gz VIYUNASLZRZDTR-CQSZACIVSA-N 0 3 349.431 2.268 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000562987302 318953646 /nfs/dbraw/zinc/95/36/46/318953646.db2.gz GCLWKGJBIJRSPA-MRXNPFEDSA-N 0 3 334.347 2.436 20 5 EEBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004831 319234669 /nfs/dbraw/zinc/23/46/69/319234669.db2.gz FZKYDROBDJRJHY-CABCVRRESA-N 0 3 331.372 2.470 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000567333052 319370035 /nfs/dbraw/zinc/37/00/35/319370035.db2.gz IJSRCHILDOKILS-UHFFFAOYSA-N 0 3 349.387 2.175 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CC(N)=O)C1CCOCC1 ZINC000181963229 323361104 /nfs/dbraw/zinc/36/11/04/323361104.db2.gz GNFSBXOFELEJSS-BLLLJJGKSA-N 0 3 335.404 2.224 20 5 EEBDHN CN(C)CCn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cn1 ZINC000061634989 462592706 /nfs/dbraw/zinc/59/27/06/462592706.db2.gz RXTMFHFWFIUOTG-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152950701 462597857 /nfs/dbraw/zinc/59/78/57/462597857.db2.gz AYTHYULRWZLPCM-CJNGLKHVSA-N 0 3 336.388 2.483 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000590694545 468309373 /nfs/dbraw/zinc/30/93/73/468309373.db2.gz NEGYCVNZVQDREZ-MRXNPFEDSA-N 0 3 342.399 2.808 20 5 EEBDHN Cc1c(NC(=O)NCCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000521532639 468318548 /nfs/dbraw/zinc/31/85/48/468318548.db2.gz VLSVWUOEBTYVIR-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000156792572 463068204 /nfs/dbraw/zinc/06/82/04/463068204.db2.gz LVDNXGNGAVJMAZ-UHFFFAOYSA-N 0 3 338.364 2.224 20 5 EEBDHN COc1cc(C(=O)N(CCN(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000156789189 463068304 /nfs/dbraw/zinc/06/83/04/463068304.db2.gz PMXHSYGKKVGCKK-UHFFFAOYSA-N 0 3 339.392 2.024 20 5 EEBDHN CCOC(=O)c1ccnc(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000077928874 463073507 /nfs/dbraw/zinc/07/35/07/463073507.db2.gz GICLSVMBSFJWSZ-GFCCVEGCSA-N 0 3 336.392 2.310 20 5 EEBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157441216 463132740 /nfs/dbraw/zinc/13/27/40/463132740.db2.gz GQWQANLKKLWKMO-ZDUSSCGKSA-N 0 3 341.375 2.065 20 5 EEBDHN COc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC000568506564 468347908 /nfs/dbraw/zinc/34/79/08/468347908.db2.gz BVWFBXZCPRMACU-HNNXBMFYSA-N 0 3 341.367 2.107 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125094170 463502337 /nfs/dbraw/zinc/50/23/37/463502337.db2.gz BVDUIURYKBIULW-GHMZBOCLSA-N 0 3 347.462 2.116 20 5 EEBDHN CN(C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000058105107 463541701 /nfs/dbraw/zinc/54/17/01/463541701.db2.gz FFZUFJGNFQHQDG-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000060156227 463649967 /nfs/dbraw/zinc/64/99/67/463649967.db2.gz LKCAOYZQNGTPDX-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN COCCN(C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000171138958 463796338 /nfs/dbraw/zinc/79/63/38/463796338.db2.gz OEWZYEONJJVVGI-UHFFFAOYSA-N 0 3 337.420 2.200 20 5 EEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016469 463844286 /nfs/dbraw/zinc/84/42/86/463844286.db2.gz QMMZVXVQKHUVIN-HOCLYGCPSA-N 0 3 333.388 2.031 20 5 EEBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000279253067 464078893 /nfs/dbraw/zinc/07/88/93/464078893.db2.gz IKGWHWBTMKHQOQ-LLVKDONJSA-N 0 3 343.786 2.482 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000263958107 464252350 /nfs/dbraw/zinc/25/23/50/464252350.db2.gz NCLYETMGBFJFAU-UHFFFAOYSA-N 0 3 330.392 2.055 20 5 EEBDHN COc1cccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000298692927 465474014 /nfs/dbraw/zinc/47/40/14/465474014.db2.gz RUFRIPJZJLNHEG-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCOC2=O)c1 ZINC000181299834 464468872 /nfs/dbraw/zinc/46/88/72/464468872.db2.gz HNQNVDWOOVLTOQ-LBPRGKRZSA-N 0 3 345.359 2.099 20 5 EEBDHN CCOc1cccc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281748717 464569715 /nfs/dbraw/zinc/56/97/15/464569715.db2.gz XOJGDBDWILJSQZ-UHFFFAOYSA-N 0 3 336.436 2.431 20 5 EEBDHN C[C@@H]1CSCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000190470950 464652127 /nfs/dbraw/zinc/65/21/27/464652127.db2.gz GZQZOTBZNWWYSW-JSGCOSHPSA-N 0 3 326.418 2.019 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000247512415 464688278 /nfs/dbraw/zinc/68/82/78/464688278.db2.gz JUIAAUWSUNHEIM-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000265939586 464741210 /nfs/dbraw/zinc/74/12/10/464741210.db2.gz UAWCPIMURXEHQT-UHFFFAOYSA-N 0 3 339.395 2.424 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295258453 464764814 /nfs/dbraw/zinc/76/48/14/464764814.db2.gz CZLVBFAASPHKTL-ZDUSSCGKSA-N 0 3 338.404 2.465 20 5 EEBDHN CCOC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286213671 464841811 /nfs/dbraw/zinc/84/18/11/464841811.db2.gz QQDSBEXAHGVERE-AWEZNQCLSA-N 0 3 339.392 2.193 20 5 EEBDHN CN(Cc1cc2ccccc2o1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266954938 464884393 /nfs/dbraw/zinc/88/43/93/464884393.db2.gz VPZNMLCPHMNXQI-CQSZACIVSA-N 0 3 330.344 2.030 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187747 464963928 /nfs/dbraw/zinc/96/39/28/464963928.db2.gz UZDMYTROBJCUCU-IUODEOHRSA-N 0 3 332.404 2.219 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770580 465499390 /nfs/dbraw/zinc/49/93/90/465499390.db2.gz OLTXTUZYMYJHDW-PBHICJAKSA-N 0 3 331.372 2.500 20 5 EEBDHN CCOc1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000356799205 465547932 /nfs/dbraw/zinc/54/79/32/465547932.db2.gz WHAKIOGOUGXRON-UKRRQHHQSA-N 0 3 325.434 2.475 20 5 EEBDHN CNC(=O)c1ccc(NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299071647 465586187 /nfs/dbraw/zinc/58/61/87/465586187.db2.gz PAEZEGMWFMIYNX-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)N(C)C ZINC000360631997 465586271 /nfs/dbraw/zinc/58/62/71/465586271.db2.gz GXQQANPIPNWYHS-CYBMUJFWSA-N 0 3 330.388 2.931 20 5 EEBDHN COC[C@H](CC(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661914 466181381 /nfs/dbraw/zinc/18/13/81/466181381.db2.gz HASQRLAJGCVMDR-ZDUSSCGKSA-N 0 3 344.433 2.019 20 5 EEBDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170806 466203236 /nfs/dbraw/zinc/20/32/36/466203236.db2.gz WGDLJERTFYRKJP-RHSMWYFYSA-N 0 3 330.388 2.241 20 5 EEBDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836111 466265394 /nfs/dbraw/zinc/26/53/94/466265394.db2.gz BWPRFPPFKBCCBF-UAGQMJEPSA-N 0 3 338.379 2.486 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000304332302 466284695 /nfs/dbraw/zinc/28/46/95/466284695.db2.gz VOJUZOJTYPXOHP-HUUCEWRRSA-N 0 3 334.376 2.363 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000347218887 466485657 /nfs/dbraw/zinc/48/56/57/466485657.db2.gz YJBNSSFIMVVNQU-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192772 466740361 /nfs/dbraw/zinc/74/03/61/466740361.db2.gz XWVPVEGWIUHOEN-WFASDCNBSA-N 0 3 339.779 2.344 20 5 EEBDHN CCOc1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201270 466742814 /nfs/dbraw/zinc/74/28/14/466742814.db2.gz JNXYUIQZISHDNQ-DOTOQJQBSA-N 0 3 349.431 2.025 20 5 EEBDHN Cc1cc(OCC(=O)N2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000373784029 466918917 /nfs/dbraw/zinc/91/89/17/466918917.db2.gz WAFYVTWGZFFHMT-UHFFFAOYSA-N 0 3 347.415 2.369 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373975964 466988628 /nfs/dbraw/zinc/98/86/28/466988628.db2.gz JCOSHHGJCINBOG-SJORKVTESA-N 0 3 349.431 2.336 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)N1CCN(C)CC1 ZINC000413111804 467171632 /nfs/dbraw/zinc/17/16/32/467171632.db2.gz JDXKDIIPBKIIQW-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@H](O)C2)c(F)c1 ZINC000413231677 467193887 /nfs/dbraw/zinc/19/38/87/467193887.db2.gz BWZBHQSEMUMQCJ-HNNXBMFYSA-N 0 3 346.362 2.308 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000454600941 467603596 /nfs/dbraw/zinc/60/35/96/467603596.db2.gz HDWYXCBBSDBKHX-IVMMDQJWSA-N 0 3 332.404 2.310 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCn3ccnc3C2)c1 ZINC000494430751 468055349 /nfs/dbraw/zinc/05/53/49/468055349.db2.gz BLZASQCPMNVPBG-LLVKDONJSA-N 0 3 338.314 2.497 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000533194351 468178480 /nfs/dbraw/zinc/17/84/80/468178480.db2.gz ORIYTENOIUIYNQ-ZFWWWQNUSA-N 0 3 332.404 2.193 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000590378211 468242324 /nfs/dbraw/zinc/24/23/24/468242324.db2.gz BNBXDCMNNAZAQW-INIZCTEOSA-N 0 3 338.379 2.391 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000591851636 468531184 /nfs/dbraw/zinc/53/11/84/468531184.db2.gz SBUWXZJGRZXEPX-HNNXBMFYSA-N 0 3 331.376 2.292 20 5 EEBDHN C[C@H](C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000582521238 468550717 /nfs/dbraw/zinc/55/07/17/468550717.db2.gz RASPEBYWHNOGAS-YOEHRIQHSA-N 0 3 349.431 2.268 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597717059 468650070 /nfs/dbraw/zinc/65/00/70/468650070.db2.gz XPTRYYZZDCWLBV-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000584391443 468859128 /nfs/dbraw/zinc/85/91/28/468859128.db2.gz CSRWLILEOFFTSC-GFCCVEGCSA-N 0 3 343.387 2.057 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000595454245 468859406 /nfs/dbraw/zinc/85/94/06/468859406.db2.gz FSZKXCCETJGIKX-HZPDHXFCSA-N 0 3 337.395 2.467 20 5 EEBDHN CN(C)CCn1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000601596579 468931161 /nfs/dbraw/zinc/93/11/61/468931161.db2.gz RYIDFZPLXUHSOJ-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc([N+](=O)[O-])c1C ZINC000573273473 469096563 /nfs/dbraw/zinc/09/65/63/469096563.db2.gz KVHICBFFJMETQT-UONOGXRCSA-N 0 3 333.388 2.221 20 5 EEBDHN CSC1(CNc2c(Cl)cncc2[N+](=O)[O-])CCN(C)CC1 ZINC000596237140 469217643 /nfs/dbraw/zinc/21/76/43/469217643.db2.gz AACUQBCYTOLYLZ-UHFFFAOYSA-N 0 3 330.841 2.304 20 5 EEBDHN C[C@@H](CC1CCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611335866 469230310 /nfs/dbraw/zinc/23/03/10/469230310.db2.gz DNAUKNYQFVTFSH-LBPRGKRZSA-N 0 3 341.433 2.041 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCCc2c1cnn2CCO ZINC000608836703 469882783 /nfs/dbraw/zinc/88/27/83/469882783.db2.gz GFSVZGFOVHIJIF-LEXSJLIMSA-N 0 3 342.399 2.464 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000158971547 528245723 /nfs/dbraw/zinc/24/57/23/528245723.db2.gz HBCOCXRRACMTJB-ZDUSSCGKSA-N 0 3 331.376 2.131 20 5 EEBDHN CC[C@](C)(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000189718906 529373118 /nfs/dbraw/zinc/37/31/18/529373118.db2.gz ILDHLTHQWTYNSY-KRWDZBQOSA-N 0 3 332.404 2.455 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000773195983 577322182 /nfs/dbraw/zinc/32/21/82/577322182.db2.gz ZJJALALQFXPGTP-GFCCVEGCSA-N 0 3 332.404 2.383 20 5 EEBDHN CO[C@H](CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291170 577393776 /nfs/dbraw/zinc/39/37/76/577393776.db2.gz CXGXFXJFNDESSP-GARJFASQSA-N 0 3 336.314 2.442 20 5 EEBDHN COCCCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585003 577463316 /nfs/dbraw/zinc/46/33/16/577463316.db2.gz QUMOXIPROKDNIS-QGZVFWFLSA-N 0 3 338.404 2.146 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735368 577485612 /nfs/dbraw/zinc/48/56/12/577485612.db2.gz JGCJEHLSMPLUDY-QZTJIDSGSA-N 0 3 346.358 2.361 20 5 EEBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768832019 577563556 /nfs/dbraw/zinc/56/35/56/577563556.db2.gz AYRIEZRQIKPCNO-UHFFFAOYSA-N 0 3 349.478 2.447 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(CCN(C)C)n2)c1F ZINC000764463306 577736685 /nfs/dbraw/zinc/73/66/85/577736685.db2.gz UWVTXPGLEBRWPS-UHFFFAOYSA-N 0 3 335.339 2.053 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C ZINC000754981652 577817523 /nfs/dbraw/zinc/81/75/23/577817523.db2.gz QJDOEWQJZJLQAI-ZETCQYMHSA-N 0 3 348.172 2.176 20 5 EEBDHN CN(C)[C@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000748603713 577964825 /nfs/dbraw/zinc/96/48/25/577964825.db2.gz YTBSRAAXMUMFRJ-AWEZNQCLSA-N 0 3 340.474 2.319 20 5 EEBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724993 578123152 /nfs/dbraw/zinc/12/31/52/578123152.db2.gz PIGWXGPRSLHUEO-ONGXEEELSA-N 0 3 336.348 2.024 20 5 EEBDHN Cc1ncsc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021860015 676524450 /nfs/dbraw/zinc/52/44/50/676524450.db2.gz HIZBNSBWQDZADC-BETUJISGSA-N 0 3 346.412 2.410 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cocn2)CC1 ZINC000985329446 686339725 /nfs/dbraw/zinc/33/97/25/686339725.db2.gz GDNPNPKJMRQXJI-UHFFFAOYSA-N 0 3 344.371 2.319 20 5 EEBDHN COc1ccc(-c2ccc(CNCCN(C)OC)o2)c([N+](=O)[O-])c1 ZINC000883172555 1202025364 /nfs/dbraw/zinc/02/53/64/1202025364.db2.gz LHGYGAXQIMVUAK-UHFFFAOYSA-N 0 3 335.360 2.446 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777794876 1206487162 /nfs/dbraw/zinc/48/71/62/1206487162.db2.gz DBPDTRRDJLUAJN-JTQLQIEISA-N 0 3 349.416 2.204 20 5 EEBDHN COc1ccc(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000930768499 1206581508 /nfs/dbraw/zinc/58/15/08/1206581508.db2.gz HXIYEWMQVPDHAG-MFKMUULPSA-N 0 3 334.376 2.208 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000867276338 1285204688 /nfs/dbraw/zinc/20/46/88/1285204688.db2.gz OKUZDEWBWJKLSN-NSHDSACASA-N 0 3 347.412 2.049 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[N@H+](C)C(C)C)cc1F ZINC000867276338 1285204690 /nfs/dbraw/zinc/20/46/90/1285204690.db2.gz OKUZDEWBWJKLSN-NSHDSACASA-N 0 3 347.412 2.049 20 5 EEBDHN CC(C)(C)OC(=O)c1ccc(O[C@H]2CNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218016480 1297548635 /nfs/dbraw/zinc/54/86/35/1297548635.db2.gz GTAMCGOIUWLEFK-GWCFXTLKSA-N 0 3 326.324 2.239 20 5 EEBDHN C[C@H]1CCCN1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769023 1303699917 /nfs/dbraw/zinc/69/99/17/1303699917.db2.gz VURLEUZPHJISFV-YOEHRIQHSA-N 0 3 343.431 2.492 20 5 EEBDHN CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001122823292 1310402638 /nfs/dbraw/zinc/40/26/38/1310402638.db2.gz WJIOWHAQOWZUDQ-ZDUSSCGKSA-N 0 3 338.456 2.192 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])c1 ZINC001308030578 1331560308 /nfs/dbraw/zinc/56/03/08/1331560308.db2.gz HLVTYLHQPLUAKZ-WBVHZDCISA-N 0 3 349.387 2.233 20 5 EEBDHN Cn1cc(N2CC[C@@H](NCc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC001319849729 1332783823 /nfs/dbraw/zinc/78/38/23/1332783823.db2.gz HNXVTEUMQITKIE-CYBMUJFWSA-N 0 3 335.795 2.350 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCCC[C@@H]1C ZINC001609165092 1351872434 /nfs/dbraw/zinc/87/24/34/1351872434.db2.gz DALREVFHDVRJBR-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCCC[C@@H]1C ZINC001609165092 1351872440 /nfs/dbraw/zinc/87/24/40/1351872440.db2.gz DALREVFHDVRJBR-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCCC[C@@H]1C ZINC001609165092 1351872442 /nfs/dbraw/zinc/87/24/42/1351872442.db2.gz DALREVFHDVRJBR-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCCC[C@@H]1C ZINC001609165092 1351872448 /nfs/dbraw/zinc/87/24/48/1351872448.db2.gz DALREVFHDVRJBR-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCN(C2CCCC2)CC1 ZINC001338210818 1336817086 /nfs/dbraw/zinc/81/70/86/1336817086.db2.gz XFIYRUTYDVJGAI-UHFFFAOYSA-N 0 3 346.391 2.048 20 5 EEBDHN C[C@@H](COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC1 ZINC000847964091 1338407201 /nfs/dbraw/zinc/40/72/01/1338407201.db2.gz WSYSYJXRUKVWNZ-NSHDSACASA-N 0 3 336.344 2.355 20 5 EEBDHN Cc1cc(NC2CC[NH+](C(C)C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724735 1351217788 /nfs/dbraw/zinc/21/77/88/1351217788.db2.gz PTYOKNSQWARGFD-UHFFFAOYSA-N 0 3 345.407 2.368 20 5 EEBDHN Cc1cc(NC2CC[NH+](C(C)C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724735 1351217792 /nfs/dbraw/zinc/21/77/92/1351217792.db2.gz PTYOKNSQWARGFD-UHFFFAOYSA-N 0 3 345.407 2.368 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001607083713 1351411288 /nfs/dbraw/zinc/41/12/88/1351411288.db2.gz MJJYURBJWSPKJY-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001607083713 1351411289 /nfs/dbraw/zinc/41/12/89/1351411289.db2.gz MJJYURBJWSPKJY-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001607083713 1351411293 /nfs/dbraw/zinc/41/12/93/1351411293.db2.gz MJJYURBJWSPKJY-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001607083713 1351411294 /nfs/dbraw/zinc/41/12/94/1351411294.db2.gz MJJYURBJWSPKJY-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN COc1cc2ncnc(N3C[C@@H](C)N(C)C[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164642503 719202218 /nfs/dbraw/zinc/20/22/18/719202218.db2.gz WAZMNJJEVHNCSB-GHMZBOCLSA-N 0 3 331.376 2.075 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C1CCC1 ZINC001106979164 782745302 /nfs/dbraw/zinc/74/53/02/782745302.db2.gz GMLIPQUXNPXJDZ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN COCC(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035143544 783892010 /nfs/dbraw/zinc/89/20/10/783892010.db2.gz DOJQGGVSBXABLD-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN CN1Cc2ccccc2[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190869 785455640 /nfs/dbraw/zinc/45/56/40/785455640.db2.gz LMOLEUDGVGIDTB-MSOLQXFVSA-N 0 3 327.384 2.405 20 5 EEBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000910275752 786605093 /nfs/dbraw/zinc/60/50/93/786605093.db2.gz XKPCGGPPLMLODT-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107285694 786723342 /nfs/dbraw/zinc/72/33/42/786723342.db2.gz QFRNEQCTLOWCIV-ONEGZZNKSA-N 0 3 343.387 2.262 20 5 EEBDHN CC1(C)CCN(CC(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001107513843 787471531 /nfs/dbraw/zinc/47/15/31/787471531.db2.gz OUUBVOQLFBZZGZ-ONEGZZNKSA-N 0 3 346.431 2.411 20 5 EEBDHN COc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845874230 789971298 /nfs/dbraw/zinc/97/12/98/789971298.db2.gz GKDJFZLUBIQVEP-XPTSAGLGSA-N 0 3 337.307 2.131 20 5 EEBDHN COCc1ccsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147738615 791938348 /nfs/dbraw/zinc/93/83/48/791938348.db2.gz GMTSZFBMRHVPHE-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(-n3cccn3)nc1)CNC2 ZINC001171434613 795988149 /nfs/dbraw/zinc/98/81/49/795988149.db2.gz CRZRGCUKBFFHJS-UHFFFAOYSA-N 0 3 336.355 2.391 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094640023 796509948 /nfs/dbraw/zinc/50/99/48/796509948.db2.gz NEXLKBBXOXWUFD-UHFFFAOYSA-N 0 3 340.399 2.382 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(OC(F)F)c1 ZINC000785802534 806605223 /nfs/dbraw/zinc/60/52/23/806605223.db2.gz VRROXYLROFBVSY-NEPJUHHUSA-N 0 3 343.330 2.471 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)no1 ZINC001086300965 802694201 /nfs/dbraw/zinc/69/42/01/802694201.db2.gz PMEGPXXFKFCASX-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN COC(=O)c1ccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036402 803580111 /nfs/dbraw/zinc/58/01/11/803580111.db2.gz FTUDDXFVSDUFDZ-PBHICJAKSA-N 0 3 347.415 2.041 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3nccc4occc43)CC2)C1 ZINC001169038352 803582152 /nfs/dbraw/zinc/58/21/52/803582152.db2.gz YHGBGVAUJOIEQR-UONOGXRCSA-N 0 3 330.388 2.395 20 5 EEBDHN CCC(CC)(CC)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001169314368 803685200 /nfs/dbraw/zinc/68/52/00/803685200.db2.gz UXOMPYMPBVVOJQ-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H]3[C@H]2CCC(=O)N3C)c([N+](=O)[O-])c1 ZINC001170340147 809914652 /nfs/dbraw/zinc/91/46/52/809914652.db2.gz DWXZOJKEGRPSSX-DAXOMENPSA-N 0 3 347.415 2.230 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000788416956 812588405 /nfs/dbraw/zinc/58/84/05/812588405.db2.gz NVCFMJQEQJRZKY-UHFFFAOYSA-N 0 3 336.369 2.424 20 5 EEBDHN CCOC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515770097 1118984555 /nfs/dbraw/zinc/98/45/55/1118984555.db2.gz XSQUAELCIQJNJG-XIDUGBJDSA-N 0 3 339.319 2.274 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1N(C)C ZINC000421790007 240024920 /nfs/dbraw/zinc/02/49/20/240024920.db2.gz CFQIPGJVJFMSFY-CABCVRRESA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451493509 243133229 /nfs/dbraw/zinc/13/32/29/243133229.db2.gz QJNJNPPIBJICLJ-JLZZUVOBSA-N 0 3 345.399 2.389 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000186783228 533140334 /nfs/dbraw/zinc/14/03/34/533140334.db2.gz NANNISJBUABXIG-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN CN(CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000270778308 256171117 /nfs/dbraw/zinc/17/11/17/256171117.db2.gz GQWIHAYORCOKJS-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312062 154045500 /nfs/dbraw/zinc/04/55/00/154045500.db2.gz QLWAULYKNQNAOV-ZBFHGGJFSA-N 0 3 348.447 2.066 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015171771 158865850 /nfs/dbraw/zinc/86/58/50/158865850.db2.gz PSBAKWUJRLZEJQ-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083025866 159160584 /nfs/dbraw/zinc/16/05/84/159160584.db2.gz BTSYEARPGGDSDU-KBPBESRZSA-N 0 3 335.404 2.214 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@]12CCOC2 ZINC000341930261 161025216 /nfs/dbraw/zinc/02/52/16/161025216.db2.gz CGPROSRQXCZXMM-KRWDZBQOSA-N 0 3 347.371 2.148 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343483847 161140462 /nfs/dbraw/zinc/14/04/62/161140462.db2.gz FDHYRIHVJSVGQI-QMTHXVAHSA-N 0 3 325.796 2.390 20 5 EEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCOC2)c1 ZINC000352836564 162307090 /nfs/dbraw/zinc/30/70/90/162307090.db2.gz MTRHUNNTXMLHBA-JTQLQIEISA-N 0 3 348.140 2.078 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355661406 163262868 /nfs/dbraw/zinc/26/28/68/163262868.db2.gz OZYGIPJOQUNHPP-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN COc1ccc(CN[C@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000369088250 166185974 /nfs/dbraw/zinc/18/59/74/166185974.db2.gz SDVLXKWZAFOVNT-AWEZNQCLSA-N 0 3 328.372 2.349 20 5 EEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250664 166221471 /nfs/dbraw/zinc/22/14/71/166221471.db2.gz MDAYOTUDJZYWIL-IAGOWNOFSA-N 0 3 330.388 2.416 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000370059827 166385487 /nfs/dbraw/zinc/38/54/87/166385487.db2.gz LGMZUANJIYKHDP-OAHLLOKOSA-N 0 3 334.351 2.301 20 5 EEBDHN COc1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272702240 269011033 /nfs/dbraw/zinc/01/10/33/269011033.db2.gz FWHLRFBQOPZRIZ-LBPRGKRZSA-N 0 3 348.403 2.053 20 5 EEBDHN COc1ccc(CN[C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278512376 269235342 /nfs/dbraw/zinc/23/53/42/269235342.db2.gz QCDRTFXAYTWQRG-AWEZNQCLSA-N 0 3 345.403 2.096 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)C(F)(F)F ZINC000271540373 274140993 /nfs/dbraw/zinc/14/09/93/274140993.db2.gz QUVGSKIMHBIXBD-RNCFNFMXSA-N 0 3 349.309 2.215 20 5 EEBDHN CCOC(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278659120 274383379 /nfs/dbraw/zinc/38/33/79/274383379.db2.gz KIHPUOSVBMKCLS-UHFFFAOYSA-N 0 3 347.375 2.182 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987407 274824701 /nfs/dbraw/zinc/82/47/01/274824701.db2.gz XNLAIQWMXQJWAD-YPMHNXCESA-N 0 3 347.371 2.022 20 5 EEBDHN CC(=O)c1ccc(N(C)CCCN(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000289079369 275098342 /nfs/dbraw/zinc/09/83/42/275098342.db2.gz OAKPLKWJUJIGRL-UHFFFAOYSA-N 0 3 336.436 2.117 20 5 EEBDHN CN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000175067045 277030539 /nfs/dbraw/zinc/03/05/39/277030539.db2.gz LVEAAPSPNTXPJA-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000156632103 277215230 /nfs/dbraw/zinc/21/52/30/277215230.db2.gz MPXFQJUDTGGFRC-QWHCGFSZSA-N 0 3 340.383 2.452 20 5 EEBDHN C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)CN1 ZINC000237561097 277820820 /nfs/dbraw/zinc/82/08/20/277820820.db2.gz AAUWKXPFBLJTDW-KGLIPLIRSA-N 0 3 346.431 2.020 20 5 EEBDHN C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000488715677 288264290 /nfs/dbraw/zinc/26/42/90/288264290.db2.gz QIBCBWRDLOGUDW-LBPRGKRZSA-N 0 3 332.404 2.004 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000293983410 293343122 /nfs/dbraw/zinc/34/31/22/293343122.db2.gz GQRHJJOJKCAGCW-UHFFFAOYSA-N 0 3 349.416 2.084 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCc2c1cccc2O ZINC000296810486 294073028 /nfs/dbraw/zinc/07/30/28/294073028.db2.gz RJLKFXPNXAWSCF-WFASDCNBSA-N 0 3 344.367 2.317 20 5 EEBDHN Cc1c(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000334074173 312236608 /nfs/dbraw/zinc/23/66/08/312236608.db2.gz JOPOTJJFEARLFA-WFASDCNBSA-N 0 3 334.420 2.385 20 5 EEBDHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCN1C ZINC000421017075 314026777 /nfs/dbraw/zinc/02/67/77/314026777.db2.gz YZTSRHUQVLYLTL-CQSZACIVSA-N 0 3 331.376 2.171 20 5 EEBDHN C[C@H]1C[C@H](CO)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361017 314091612 /nfs/dbraw/zinc/09/16/12/314091612.db2.gz KBENYQKMMAYAAI-KBPBESRZSA-N 0 3 344.415 2.446 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524314256 317013534 /nfs/dbraw/zinc/01/35/34/317013534.db2.gz JCGCPPARNKDPNU-ZIAGYGMSSA-N 0 3 349.431 2.383 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000537311390 318016162 /nfs/dbraw/zinc/01/61/62/318016162.db2.gz OLSRUAPTCZXIBS-AWEZNQCLSA-N 0 3 335.404 2.130 20 5 EEBDHN CNc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581684662 324303008 /nfs/dbraw/zinc/30/30/08/324303008.db2.gz XGBTTYXPOYHYQK-WOSRLPQWSA-N 0 3 346.431 2.439 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000491413695 448018832 /nfs/dbraw/zinc/01/88/32/448018832.db2.gz GFZZAZSKVYHMHQ-XQRVVYSFSA-N 0 3 347.350 2.144 20 5 EEBDHN CNc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000326351590 465036745 /nfs/dbraw/zinc/03/67/45/465036745.db2.gz VHSVQPAOCFRSQA-CYBMUJFWSA-N 0 3 332.404 2.337 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](C)(O)C(F)(F)F ZINC000358362389 465080201 /nfs/dbraw/zinc/08/02/01/465080201.db2.gz CSCDCEBPWMTHMY-RNCFNFMXSA-N 0 3 349.309 2.215 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000520868526 468277308 /nfs/dbraw/zinc/27/73/08/468277308.db2.gz HAKYWWODIZNJSU-MRXNPFEDSA-N 0 3 330.388 2.274 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066156941 462856656 /nfs/dbraw/zinc/85/66/56/462856656.db2.gz BZBZASFTNYGVNH-CYBMUJFWSA-N 0 3 334.376 2.305 20 5 EEBDHN NC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129696 462942198 /nfs/dbraw/zinc/94/21/98/462942198.db2.gz RQPBJQONARUZEB-OAHLLOKOSA-N 0 3 340.383 2.380 20 5 EEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCN(C)C1 ZINC000156098467 462979808 /nfs/dbraw/zinc/97/98/08/462979808.db2.gz QGFIGHGHLYAKTA-GFCCVEGCSA-N 0 3 328.372 2.309 20 5 EEBDHN CN(CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000067701884 463039591 /nfs/dbraw/zinc/03/95/91/463039591.db2.gz XDTHEAIGLSNBGW-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN CCN1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000031091870 463324953 /nfs/dbraw/zinc/32/49/53/463324953.db2.gz LGUOIMJZMCENMD-UHFFFAOYSA-N 0 3 349.435 2.134 20 5 EEBDHN CN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160691699 463362091 /nfs/dbraw/zinc/36/20/91/463362091.db2.gz GFZBTARPAJOAMW-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CCC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072723883 463540388 /nfs/dbraw/zinc/54/03/88/463540388.db2.gz JYHXZINCADWPLM-UHFFFAOYSA-N 0 3 335.404 2.469 20 5 EEBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000522935927 468380949 /nfs/dbraw/zinc/38/09/49/468380949.db2.gz VARPPHQKQHAXMQ-UHFFFAOYSA-N 0 3 327.816 2.083 20 5 EEBDHN CCCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185728617 463868790 /nfs/dbraw/zinc/86/87/90/463868790.db2.gz XLTCIXFKMQYCMV-UHFFFAOYSA-N 0 3 341.433 2.138 20 5 EEBDHN CCOC(=O)CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178559855 463920578 /nfs/dbraw/zinc/92/05/78/463920578.db2.gz IWEVAIBOBQNASS-UHFFFAOYSA-N 0 3 337.376 2.117 20 5 EEBDHN COc1cccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195425280 464052991 /nfs/dbraw/zinc/05/29/91/464052991.db2.gz GIEWZFCDTRYDME-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186717615 464056015 /nfs/dbraw/zinc/05/60/15/464056015.db2.gz IUZXVABBJSGHQK-FABXCBLPSA-N 0 3 335.404 2.305 20 5 EEBDHN CC[C@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229936179 464201360 /nfs/dbraw/zinc/20/13/60/464201360.db2.gz AKHQAMWFKGSVOJ-JTQLQIEISA-N 0 3 340.181 2.407 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173278061 464228835 /nfs/dbraw/zinc/22/88/35/464228835.db2.gz GVJXRVCRCWJJCW-AWEZNQCLSA-N 0 3 332.404 2.293 20 5 EEBDHN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180421910 464307626 /nfs/dbraw/zinc/30/76/26/464307626.db2.gz KLDDUYPZHDUBEU-LBPRGKRZSA-N 0 3 346.387 2.110 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCN(C)C[C@H]21 ZINC000284810237 464350029 /nfs/dbraw/zinc/35/00/29/464350029.db2.gz KRMRGJSNLQPFSR-AEFFLSMTSA-N 0 3 349.431 2.287 20 5 EEBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778586 464381152 /nfs/dbraw/zinc/38/11/52/464381152.db2.gz LDINLXZOLYSUEH-DOMZBBRYSA-N 0 3 340.330 2.171 20 5 EEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)CN1CCc2ccccc2C1 ZINC000237948635 464409167 /nfs/dbraw/zinc/40/91/67/464409167.db2.gz FACAWMKSIYXKHL-GOSISDBHSA-N 0 3 341.411 2.104 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264663711 464414976 /nfs/dbraw/zinc/41/49/76/464414976.db2.gz ZCSRHHRXNYOGPE-OAHLLOKOSA-N 0 3 346.431 2.484 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264675805 464418969 /nfs/dbraw/zinc/41/89/69/464418969.db2.gz NLMYFHMRKIGZDY-VXGBXAGGSA-N 0 3 337.424 2.121 20 5 EEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238026835 464420614 /nfs/dbraw/zinc/42/06/14/464420614.db2.gz OXAPZGNLPZPYNG-BXKDBHETSA-N 0 3 347.824 2.044 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285302358 464517480 /nfs/dbraw/zinc/51/74/80/464517480.db2.gz WAOWUZOIEVNCKA-GFCCVEGCSA-N 0 3 337.405 2.192 20 5 EEBDHN CN1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1(C)C ZINC000281744375 464569245 /nfs/dbraw/zinc/56/92/45/464569245.db2.gz XJNJVNJJSUNPDF-UHFFFAOYSA-N 0 3 333.436 2.001 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272387553 464589672 /nfs/dbraw/zinc/58/96/72/464589672.db2.gz TVUVQTJQYATMFL-GFCCVEGCSA-N 0 3 341.358 2.487 20 5 EEBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(Cc2ccccc2)CC1 ZINC000285533524 464599467 /nfs/dbraw/zinc/59/94/67/464599467.db2.gz LBCJJEFFAAZZOB-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295258089 464764726 /nfs/dbraw/zinc/76/47/26/464764726.db2.gz GQZYFTKHZGDZHO-NSHDSACASA-N 0 3 339.367 2.345 20 5 EEBDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295298938 464779286 /nfs/dbraw/zinc/77/92/86/464779286.db2.gz JCYBRYLGAIDTCT-SUMWQHHRSA-N 0 3 347.415 2.415 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000286148094 464818668 /nfs/dbraw/zinc/81/86/68/464818668.db2.gz AICHVUOERHCPEI-LBPRGKRZSA-N 0 3 334.376 2.205 20 5 EEBDHN Cc1c([C@@H](C)NCC2(OCCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000282761160 464937613 /nfs/dbraw/zinc/93/76/13/464937613.db2.gz OGFJGVJAVWSIHF-CQSZACIVSA-N 0 3 338.404 2.112 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177178121 464950596 /nfs/dbraw/zinc/95/05/96/464950596.db2.gz GGUUFIAQVLUBEQ-VXGBXAGGSA-N 0 3 335.429 2.428 20 5 EEBDHN CC(C)(C[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786446 464964163 /nfs/dbraw/zinc/96/41/63/464964163.db2.gz ZHYQCERAFXSHJX-CZUORRHYSA-N 0 3 349.431 2.242 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177346237 464991471 /nfs/dbraw/zinc/99/14/71/464991471.db2.gz VAZDNAFQDGGQJB-ZBFHGGJFSA-N 0 3 346.431 2.400 20 5 EEBDHN CCN(CC)Cc1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548082354 468428915 /nfs/dbraw/zinc/42/89/15/468428915.db2.gz BMWHFNLRAZWUIR-UHFFFAOYSA-N 0 3 343.387 2.666 20 5 EEBDHN CC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940559 465017680 /nfs/dbraw/zinc/01/76/80/465017680.db2.gz IDDMRMSVKKJZTR-IRXDYDNUSA-N 0 3 347.415 2.199 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000286767807 465023429 /nfs/dbraw/zinc/02/34/29/465023429.db2.gz ZOXQOCQBSVNWTH-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN O=c1[nH]c(NC[C@H]2CCCCN2C2CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000343050174 465471672 /nfs/dbraw/zinc/47/16/72/465471672.db2.gz CBISVEXXADBLIG-CYBMUJFWSA-N 0 3 343.387 2.672 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299078546 465590618 /nfs/dbraw/zinc/59/06/18/465590618.db2.gz IAZWTWPOUYJBGN-RYUDHWBXSA-N 0 3 345.403 2.321 20 5 EEBDHN C[C@H]1CCC[C@@H](CO)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839133 466479724 /nfs/dbraw/zinc/47/97/24/466479724.db2.gz GMRYSTZVRNINJZ-JSGCOSHPSA-N 0 3 349.387 2.128 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccncc2OCCN(C)C)n1 ZINC000341031410 466526141 /nfs/dbraw/zinc/52/61/41/466526141.db2.gz GCANFSWZMXGOBF-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN CC(C)N(C)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320047394 466603310 /nfs/dbraw/zinc/60/33/10/466603310.db2.gz YOEMSMHEYFULOC-NSHDSACASA-N 0 3 329.422 2.139 20 5 EEBDHN N[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423226776 466700470 /nfs/dbraw/zinc/70/04/70/466700470.db2.gz SFCBLWSHQLJVJA-INIZCTEOSA-N 0 3 333.388 2.092 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411092960 466766189 /nfs/dbraw/zinc/76/61/89/466766189.db2.gz CSUHFONERZMNMV-UHFFFAOYSA-N 0 3 331.319 2.266 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301157 466827163 /nfs/dbraw/zinc/82/71/63/466827163.db2.gz ACNKWJMVETUMAH-LRDDRELGSA-N 0 3 338.429 2.387 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424014477 466951637 /nfs/dbraw/zinc/95/16/37/466951637.db2.gz VAKOQBWTTRNHDX-JKSUJKDBSA-N 0 3 343.358 2.230 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCCC[NH3+])c1C ZINC000427929296 467186847 /nfs/dbraw/zinc/18/68/47/467186847.db2.gz GKVUUFVCMKTHPN-NSHDSACASA-N 0 3 329.422 2.007 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@H](C)C1 ZINC000413253572 467197686 /nfs/dbraw/zinc/19/76/86/467197686.db2.gz VLMCGCFFNALLLW-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c[n-]1 ZINC000413964851 467352545 /nfs/dbraw/zinc/35/25/45/467352545.db2.gz WCXUSNSDAWWFJZ-UHFFFAOYSA-N 0 3 348.359 2.124 20 5 EEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000413964851 467352549 /nfs/dbraw/zinc/35/25/49/467352549.db2.gz WCXUSNSDAWWFJZ-UHFFFAOYSA-N 0 3 348.359 2.124 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCCC1 ZINC000449321200 467630800 /nfs/dbraw/zinc/63/08/00/467630800.db2.gz LESTYFRZTUSJAI-ZDUSSCGKSA-N 0 3 340.445 2.473 20 5 EEBDHN COc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000530866804 468013571 /nfs/dbraw/zinc/01/35/71/468013571.db2.gz FWRRXFCFKNWTFW-AWEZNQCLSA-N 0 3 330.388 2.402 20 5 EEBDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488195739 468076659 /nfs/dbraw/zinc/07/66/59/468076659.db2.gz DKOLIWYLCSFFPW-CJNGLKHVSA-N 0 3 334.420 2.194 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN([C@H]4CCC[C@@H]4O)CC3)ccnc21 ZINC000590079879 468212360 /nfs/dbraw/zinc/21/23/60/468212360.db2.gz VJCFGSKHKKCQQP-RDJZCZTQSA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1ccccc1OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000551000032 468229091 /nfs/dbraw/zinc/22/90/91/468229091.db2.gz HESQBOVCFBMIAK-INIZCTEOSA-N 0 3 346.383 2.312 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1COCCN1 ZINC000600712198 468628696 /nfs/dbraw/zinc/62/86/96/468628696.db2.gz UPICCYBIYUBGDK-STQMWFEESA-N 0 3 325.434 2.044 20 5 EEBDHN CNc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628984 468639952 /nfs/dbraw/zinc/63/99/52/468639952.db2.gz SSTPHRFFWWTYCU-UHFFFAOYSA-N 0 3 332.404 2.385 20 5 EEBDHN COCc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000559282002 468736344 /nfs/dbraw/zinc/73/63/44/468736344.db2.gz DBYZKZLNZGPHTO-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000595046697 468747526 /nfs/dbraw/zinc/74/75/26/468747526.db2.gz NBDHJDIVGVUPKG-VXGBXAGGSA-N 0 3 333.388 2.265 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598265379 468811992 /nfs/dbraw/zinc/81/19/92/468811992.db2.gz SNRMDDSWZJMPHU-LBPRGKRZSA-N 0 3 337.424 2.121 20 5 EEBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000593082387 468863934 /nfs/dbraw/zinc/86/39/34/468863934.db2.gz RSWLIYMGJUXIHE-UHFFFAOYSA-N 0 3 346.391 2.039 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101230 468872196 /nfs/dbraw/zinc/87/21/96/468872196.db2.gz NSVKHWUWWUFLIS-ZFWWWQNUSA-N 0 3 335.379 2.219 20 5 EEBDHN C[C@]1(C(N)=O)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602644076 468984881 /nfs/dbraw/zinc/98/48/81/468984881.db2.gz KHHIZERHUWVISP-ZDUSSCGKSA-N 0 3 331.294 2.311 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCO)C(C)(C)C1 ZINC000615842423 469325904 /nfs/dbraw/zinc/32/59/04/469325904.db2.gz XGHBKVXTNYDVQZ-PTNGSMBKSA-N 0 3 333.432 2.387 20 5 EEBDHN CCn1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000616786359 469502175 /nfs/dbraw/zinc/50/21/75/469502175.db2.gz VVFPWVQREZRFTP-INIZCTEOSA-N 0 3 333.388 2.288 20 5 EEBDHN COc1ccc(CC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000609045832 469889098 /nfs/dbraw/zinc/88/90/98/469889098.db2.gz RANZCZPDIRDYOK-UHFFFAOYSA-N 0 3 349.431 2.479 20 5 EEBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185594534 490693625 /nfs/dbraw/zinc/69/36/25/490693625.db2.gz TYVQHZNOWUIURI-IAQYHMDHSA-N 0 3 341.367 2.348 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173991852 528260307 /nfs/dbraw/zinc/26/03/07/528260307.db2.gz MUHAOZSTOKMQEU-CQSZACIVSA-N 0 3 341.433 2.008 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927753 528597734 /nfs/dbraw/zinc/59/77/34/528597734.db2.gz SAUJMFOBZSJTGO-ZIAGYGMSSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000425061720 536886536 /nfs/dbraw/zinc/88/65/36/536886536.db2.gz BOWAGOFFBWMLAO-SWLSCSKDSA-N 0 3 333.388 2.078 20 5 EEBDHN O=C(CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000725841749 576061708 /nfs/dbraw/zinc/06/17/08/576061708.db2.gz GFKYMBFEXNYAJO-MRXNPFEDSA-N 0 3 329.356 2.247 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)CN3CCCCC3)sc2c1 ZINC000731206695 577086407 /nfs/dbraw/zinc/08/64/07/577086407.db2.gz OLNBSUXVIWEPRB-GFCCVEGCSA-N 0 3 336.417 2.463 20 5 EEBDHN COc1cc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000771804239 577231156 /nfs/dbraw/zinc/23/11/56/577231156.db2.gz CSHNPYCACLDJAL-SNVBAGLBSA-N 0 3 332.303 2.065 20 5 EEBDHN CC(C)N(C)C(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578020 577462943 /nfs/dbraw/zinc/46/29/43/577462943.db2.gz AARXYBNAPHQMRB-KRWDZBQOSA-N 0 3 349.431 2.207 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768843900 577563832 /nfs/dbraw/zinc/56/38/32/577563832.db2.gz XWYGQUDGXOLIDA-MNOVXSKESA-N 0 3 347.462 2.150 20 5 EEBDHN CCNC(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678314 577979783 /nfs/dbraw/zinc/97/97/83/577979783.db2.gz RIOSMTQALCOAKQ-QGZVFWFLSA-N 0 3 343.383 2.168 20 5 EEBDHN CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736473543 578206388 /nfs/dbraw/zinc/20/63/88/578206388.db2.gz SEPHPQQCESLJKT-UHFFFAOYSA-N 0 3 348.411 2.094 20 5 EEBDHN CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736473543 578206389 /nfs/dbraw/zinc/20/63/89/578206389.db2.gz SEPHPQQCESLJKT-UHFFFAOYSA-N 0 3 348.411 2.094 20 5 EEBDHN Cc1cccnc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021944845 676553234 /nfs/dbraw/zinc/55/32/34/676553234.db2.gz LUPVQICRCXEVMA-GASCZTMLSA-N 0 3 340.383 2.349 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000934398460 678334517 /nfs/dbraw/zinc/33/45/17/678334517.db2.gz ZKRZYDMVEXFTMW-VGOVLVCLSA-N 0 3 329.400 2.440 20 5 EEBDHN COc1c([O-])ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000894413314 682867485 /nfs/dbraw/zinc/86/74/85/682867485.db2.gz LVZJVOHGVVXISE-OCCSQVGLSA-N 0 3 335.404 2.368 20 5 EEBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894432953 682894378 /nfs/dbraw/zinc/89/43/78/682894378.db2.gz XRMKBHPHRFZRJN-WDEREUQCSA-N 0 3 348.790 2.052 20 5 EEBDHN C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892767262 683019632 /nfs/dbraw/zinc/01/96/32/683019632.db2.gz VQUBNELKNBXBNW-JZXOWHBKSA-N 0 3 329.400 2.299 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000897238235 686304614 /nfs/dbraw/zinc/30/46/14/686304614.db2.gz WJDFSVDFKOVWAW-KBPBESRZSA-N 0 3 337.445 2.329 20 5 EEBDHN O=C(c1ccc[nH]1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989928411 692489136 /nfs/dbraw/zinc/48/91/36/692489136.db2.gz WTUQIDNZZOHFMO-UHFFFAOYSA-N 0 3 334.401 2.379 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[N+](=O)[O-] ZINC000813106890 1201116562 /nfs/dbraw/zinc/11/65/62/1201116562.db2.gz HHJQXUQBZLPWEX-LBPRGKRZSA-N 0 3 335.360 2.139 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813110347 1201121808 /nfs/dbraw/zinc/12/18/08/1201121808.db2.gz YHBZLDDGELHMOG-OCCSQVGLSA-N 0 3 342.351 2.401 20 5 EEBDHN CC(COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[N+](=O)[O-] ZINC000813112281 1201123182 /nfs/dbraw/zinc/12/31/82/1201123182.db2.gz OWYJYALJODYDHM-CPCISQLKSA-N 0 3 344.776 2.351 20 5 EEBDHN CC(COC(=O)c1ccccc1N(C)C(=O)c1ccco1)[N+](=O)[O-] ZINC000813112505 1201123578 /nfs/dbraw/zinc/12/35/78/1201123578.db2.gz QZZPPUADQCBWRX-LLVKDONJSA-N 0 3 332.312 2.378 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866357810 1201499276 /nfs/dbraw/zinc/49/92/76/1201499276.db2.gz FVEPBIQMQXSZCQ-NSHDSACASA-N 0 3 332.397 2.078 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001020279836 1229600256 /nfs/dbraw/zinc/60/02/56/1229600256.db2.gz UJLSRLZZBWSBOM-HAQNSBGRSA-N 0 3 332.385 2.102 20 5 EEBDHN CC1(C(=O)N2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@H]3C2)CC1 ZINC001048831790 1238795715 /nfs/dbraw/zinc/79/57/15/1238795715.db2.gz FJVNOEVBTRUJHY-GASCZTMLSA-N 0 3 329.400 2.285 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097078192 1243674054 /nfs/dbraw/zinc/67/40/54/1243674054.db2.gz IZOSSVHPGDEXAK-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c([N+](=O)[O-])c1 ZINC001097227785 1243851761 /nfs/dbraw/zinc/85/17/61/1243851761.db2.gz OGBMAMSXRCUKPD-OKILXGFUSA-N 0 3 346.431 2.447 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001097227492 1243851839 /nfs/dbraw/zinc/85/18/39/1243851839.db2.gz ISSBPGUVFYOBLV-OKILXGFUSA-N 0 3 346.431 2.447 20 5 EEBDHN Cc1noc(COC(=O)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853926752 1292533305 /nfs/dbraw/zinc/53/33/05/1292533305.db2.gz PQHXVFJTBQCFNI-AWEZNQCLSA-N 0 3 345.355 2.457 20 5 EEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264810 1310249972 /nfs/dbraw/zinc/24/99/72/1310249972.db2.gz WWWRSYFUPFURJS-SRVKXCTJSA-N 0 3 332.404 2.380 20 5 EEBDHN CC(C)(CO)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108260 1315844675 /nfs/dbraw/zinc/84/46/75/1315844675.db2.gz NWQIHUDYVCJUMN-IAGOWNOFSA-N 0 3 345.399 2.373 20 5 EEBDHN Cc1c(Cc2noc(C[C@@H]3CSCCN3)n2)cccc1[N+](=O)[O-] ZINC000843191362 1315863245 /nfs/dbraw/zinc/86/32/45/1315863245.db2.gz FRJDPXVJDRLWGV-GFCCVEGCSA-N 0 3 334.401 2.125 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)cc(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154849408 1317350047 /nfs/dbraw/zinc/35/00/47/1317350047.db2.gz JWLAXGJXEDEUFK-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN NCc1cn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cn1 ZINC001154911476 1317382858 /nfs/dbraw/zinc/38/28/58/1317382858.db2.gz ZERHOQPBRMBZAY-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCNC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156098108 1317875943 /nfs/dbraw/zinc/87/59/43/1317875943.db2.gz OXMANXREYNJVNY-NSHDSACASA-N 0 3 335.345 2.110 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc(OC3COC3)ccn1)C2 ZINC001254573503 1318125723 /nfs/dbraw/zinc/12/57/23/1318125723.db2.gz ARLPIHWHBYGQIQ-CQSZACIVSA-N 0 3 341.367 2.024 20 5 EEBDHN CN1C[C@@]2(CC1=O)CCCCN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599425 1318140535 /nfs/dbraw/zinc/14/05/35/1318140535.db2.gz ZFGQFPYVNVVVOH-AEFFLSMTSA-N 0 3 329.400 2.149 20 5 EEBDHN Cc1nc(Cl)nc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001158647191 1319353183 /nfs/dbraw/zinc/35/31/83/1319353183.db2.gz KKRGLLFSGFLHHD-UHFFFAOYSA-N 0 3 334.767 2.285 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001261550983 1322129830 /nfs/dbraw/zinc/12/98/30/1322129830.db2.gz SUZKYQSCNONKQM-CVEARBPZSA-N 0 3 332.404 2.383 20 5 EEBDHN CNC(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214866 1331517468 /nfs/dbraw/zinc/51/74/68/1331517468.db2.gz WPBZDBGJBZQMCE-OAHLLOKOSA-N 0 3 340.383 2.105 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]1(CO)c1ccccc1 ZINC001308161273 1331568774 /nfs/dbraw/zinc/56/87/74/1331568774.db2.gz BHVBXPXEVSOIIM-KRWDZBQOSA-N 0 3 330.388 2.083 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC001318433218 1332533427 /nfs/dbraw/zinc/53/34/27/1332533427.db2.gz GIOGJVDBRNXBKS-KGLIPLIRSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN(C[C@H]3CCOC3)CC2)c2ccccc21 ZINC001331113084 1334965541 /nfs/dbraw/zinc/96/55/41/1334965541.db2.gz QBAWAVOIAXYPCN-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409282 1351965018 /nfs/dbraw/zinc/96/50/18/1351965018.db2.gz FZKOJXOAVXXQFN-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409282 1351965020 /nfs/dbraw/zinc/96/50/20/1351965020.db2.gz FZKOJXOAVXXQFN-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409282 1351965024 /nfs/dbraw/zinc/96/50/24/1351965024.db2.gz FZKOJXOAVXXQFN-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409282 1351965026 /nfs/dbraw/zinc/96/50/26/1351965026.db2.gz FZKOJXOAVXXQFN-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893705 1350795808 /nfs/dbraw/zinc/79/58/08/1350795808.db2.gz AMVSXJJSFJGPIN-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001603893705 1350795811 /nfs/dbraw/zinc/79/58/11/1350795811.db2.gz AMVSXJJSFJGPIN-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893705 1350795812 /nfs/dbraw/zinc/79/58/12/1350795812.db2.gz AMVSXJJSFJGPIN-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001603893705 1350795813 /nfs/dbraw/zinc/79/58/13/1350795813.db2.gz AMVSXJJSFJGPIN-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC001111869586 1410854318 /nfs/dbraw/zinc/85/43/18/1410854318.db2.gz ZKDHSTOVOOAARQ-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091471427 790932971 /nfs/dbraw/zinc/93/29/71/790932971.db2.gz AHLUQDVMSIFJNF-MQMHXKEQSA-N 0 3 343.387 2.176 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107233221 786548711 /nfs/dbraw/zinc/54/87/11/786548711.db2.gz MRUDGLQMHWTLEP-PLNGDYQASA-N 0 3 338.383 2.158 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882607 789973623 /nfs/dbraw/zinc/97/36/23/789973623.db2.gz OXIHNEDANJARRQ-MEDUHNTESA-N 0 3 333.319 2.498 20 5 EEBDHN O=c1[n-]n([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2c1C[NH2+]CC2 ZINC001172921853 797152013 /nfs/dbraw/zinc/15/20/13/797152013.db2.gz UUMVJPHRAGUVNQ-ZDUSSCGKSA-N 0 3 328.372 2.263 20 5 EEBDHN CCSCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155075253 801630844 /nfs/dbraw/zinc/63/08/44/801630844.db2.gz OTRAFPFWHSAFSS-UHFFFAOYSA-N 0 3 331.463 2.395 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001086511814 803181840 /nfs/dbraw/zinc/18/18/40/803181840.db2.gz HCDIWEIMVPKPSN-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047604 803593310 /nfs/dbraw/zinc/59/33/10/803593310.db2.gz RMELBBIRRWLWIP-QWHCGFSZSA-N 0 3 327.425 2.278 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)c1 ZINC001169590959 803863874 /nfs/dbraw/zinc/86/38/74/803863874.db2.gz ALVSCFRFAMQFTI-UHFFFAOYSA-N 0 3 342.355 2.319 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC000791296017 809159097 /nfs/dbraw/zinc/15/90/97/809159097.db2.gz CDZSCVQBYDPNGG-INIZCTEOSA-N 0 3 346.362 2.349 20 5 EEBDHN CCc1cnccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130607424 811850685 /nfs/dbraw/zinc/85/06/85/811850685.db2.gz FNAXKSBNNQCEQQ-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000445874865 242137157 /nfs/dbraw/zinc/13/71/57/242137157.db2.gz LJWZSFCWHSUMON-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449670362 284125656 /nfs/dbraw/zinc/12/56/56/284125656.db2.gz ZOJVJNOKBQGKQB-GFCCVEGCSA-N 0 3 325.271 2.068 20 5 EEBDHN COc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000265018474 247139459 /nfs/dbraw/zinc/13/94/59/247139459.db2.gz CEYKPDYQZYPYEO-ZDUSSCGKSA-N 0 3 335.404 2.484 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497419 256141732 /nfs/dbraw/zinc/14/17/32/256141732.db2.gz JXWBTEDZZWRKRQ-CZUORRHYSA-N 0 3 334.420 2.119 20 5 EEBDHN CN1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268123610 256116169 /nfs/dbraw/zinc/11/61/69/256116169.db2.gz RKPOGQNEKWGNBV-UHFFFAOYSA-N 0 3 326.784 2.142 20 5 EEBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000270611430 256153183 /nfs/dbraw/zinc/15/31/83/256153183.db2.gz ZFVWJSYHMJDGSZ-HNNXBMFYSA-N 0 3 345.399 2.466 20 5 EEBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000270755064 256168176 /nfs/dbraw/zinc/16/81/76/256168176.db2.gz DEJSYYKESMNKKQ-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283049 256228766 /nfs/dbraw/zinc/22/87/66/256228766.db2.gz CJRYJVXVRWEZBF-JOYOIKCWSA-N 0 3 349.416 2.012 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cccn2)c1 ZINC000183566095 533407271 /nfs/dbraw/zinc/40/72/71/533407271.db2.gz QYYGUAAZMWLYKQ-CYBMUJFWSA-N 0 3 326.360 2.328 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120375087 142387360 /nfs/dbraw/zinc/38/73/60/142387360.db2.gz IYWHXBZMGWZNQS-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346238246 152866615 /nfs/dbraw/zinc/86/66/15/152866615.db2.gz OHVSMRRZPMZZBH-HEHGZKQESA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000068350442 159019103 /nfs/dbraw/zinc/01/91/03/159019103.db2.gz ZAZPOGAYGMZHPE-SNVBAGLBSA-N 0 3 341.795 2.226 20 5 EEBDHN CN(C[C@@H]1CCCN1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670717 159225445 /nfs/dbraw/zinc/22/54/45/159225445.db2.gz NNYPKAHDERUBFE-JTQLQIEISA-N 0 3 329.198 2.283 20 5 EEBDHN CC[C@H]1CCCCN1CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189298028 160139097 /nfs/dbraw/zinc/13/90/97/160139097.db2.gz MJLPUFYOODKXHH-ZDUSSCGKSA-N 0 3 336.392 2.453 20 5 EEBDHN CN(C)Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194822980 160201114 /nfs/dbraw/zinc/20/11/14/160201114.db2.gz CEGKKRVQAMKYPA-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN O=C1[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757707 160251992 /nfs/dbraw/zinc/25/19/92/160251992.db2.gz FPVYDASFGWSRKT-VQHPVUNQSA-N 0 3 345.399 2.247 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCN1C ZINC000343803973 161169849 /nfs/dbraw/zinc/16/98/49/161169849.db2.gz WEHNNHIPRBFLNO-OTYXRUKQSA-N 0 3 327.331 2.014 20 5 EEBDHN CN(CCc1ccccc1O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344163803 161203991 /nfs/dbraw/zinc/20/39/91/161203991.db2.gz NMVWVFWCGFNVMP-OAHLLOKOSA-N 0 3 346.383 2.215 20 5 EEBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355801381 163306356 /nfs/dbraw/zinc/30/63/56/163306356.db2.gz SSPUAZBGABDCGF-UHFFFAOYSA-N 0 3 343.449 2.334 20 5 EEBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761100 268856249 /nfs/dbraw/zinc/85/62/49/268856249.db2.gz VOTRLLCOAUNNDY-DOMZBBRYSA-N 0 3 340.330 2.171 20 5 EEBDHN COc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272772978 269018029 /nfs/dbraw/zinc/01/80/29/269018029.db2.gz CLFBRXGOSPXTBB-NSHDSACASA-N 0 3 334.376 2.375 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000275258598 269105530 /nfs/dbraw/zinc/10/55/30/269105530.db2.gz RPXRYPMOGQYWPE-UKRRQHHQSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1cccc(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278507733 269234756 /nfs/dbraw/zinc/23/47/56/269234756.db2.gz MACUJUSUYWSJMC-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN CN(C(=O)CN[C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282102165 269464506 /nfs/dbraw/zinc/46/45/06/269464506.db2.gz PHOSJILTGUOQGV-INIZCTEOSA-N 0 3 347.415 2.497 20 5 EEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000415381754 273563595 /nfs/dbraw/zinc/56/35/95/273563595.db2.gz JCMBCVJTDGRSRQ-AWEZNQCLSA-N 0 3 343.387 2.357 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000274447628 274197255 /nfs/dbraw/zinc/19/72/55/274197255.db2.gz HWNTZQYNXJEKRT-LLVKDONJSA-N 0 3 328.363 2.311 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450476104 274227756 /nfs/dbraw/zinc/22/77/56/274227756.db2.gz NAMAKTQYHLPMOJ-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN Cc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000288231126 275037281 /nfs/dbraw/zinc/03/72/81/275037281.db2.gz FEUJPPFWFPQBOJ-OLZOCXBDSA-N 0 3 332.404 2.184 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H](CO)CN2CCCCC2)cc1OC(F)F ZINC000288837819 275087827 /nfs/dbraw/zinc/08/78/27/275087827.db2.gz CFURTCLVQMWKPV-LBPRGKRZSA-N 0 3 345.346 2.455 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCCOC ZINC000289673456 275138045 /nfs/dbraw/zinc/13/80/45/275138045.db2.gz FMWCCRULNDPAFQ-UHFFFAOYSA-N 0 3 338.408 2.247 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570428 293242227 /nfs/dbraw/zinc/24/22/27/293242227.db2.gz DMMPVEHQGAVVLU-RISCZKNCSA-N 0 3 349.362 2.407 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000293714826 293276797 /nfs/dbraw/zinc/27/67/97/293276797.db2.gz ORUCDLFKRFPDDB-AWEZNQCLSA-N 0 3 331.416 2.470 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294515556 293474279 /nfs/dbraw/zinc/47/42/79/293474279.db2.gz HUJRDXGNARSSTD-HNNXBMFYSA-N 0 3 333.388 2.110 20 5 EEBDHN CO[C@@H]([C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185228 312979798 /nfs/dbraw/zinc/97/97/98/312979798.db2.gz OIAOHLMXMKXRHO-LYRGGWFBSA-N 0 3 333.388 2.103 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421004627 314021300 /nfs/dbraw/zinc/02/13/00/314021300.db2.gz OKKHSYOOOWSONX-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000421785306 314164115 /nfs/dbraw/zinc/16/41/15/314164115.db2.gz KIUKWZFKVMHPOG-OAHLLOKOSA-N 0 3 349.431 2.034 20 5 EEBDHN COc1cc(NCCN2CCN(C)C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000440666853 315143498 /nfs/dbraw/zinc/14/34/98/315143498.db2.gz PBERHJWQYJHUMP-UHFFFAOYSA-N 0 3 340.399 2.180 20 5 EEBDHN CCOc1cc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000440675392 315144329 /nfs/dbraw/zinc/14/43/29/315144329.db2.gz USZBNMYLYJSKDW-UHFFFAOYSA-N 0 3 336.436 2.431 20 5 EEBDHN COc1ccc(CC(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000525872306 317086257 /nfs/dbraw/zinc/08/62/57/317086257.db2.gz QYYDFWMJADOPHN-UHFFFAOYSA-N 0 3 335.404 2.089 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738167 318317298 /nfs/dbraw/zinc/31/72/98/318317298.db2.gz VHKBEVNSRKNCQI-HNNXBMFYSA-N 0 3 334.420 2.487 20 5 EEBDHN Cc1cccc(OCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000566107521 319245554 /nfs/dbraw/zinc/24/55/54/319245554.db2.gz LCMDSOJFAHUNDC-HNNXBMFYSA-N 0 3 346.383 2.312 20 5 EEBDHN Cc1cccc(OCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000566107522 319245569 /nfs/dbraw/zinc/24/55/69/319245569.db2.gz LCMDSOJFAHUNDC-OAHLLOKOSA-N 0 3 346.383 2.312 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccnc3ccccc32)CC1 ZINC000581887940 324336370 /nfs/dbraw/zinc/33/63/70/324336370.db2.gz JYYATEYXVRYVBQ-UHFFFAOYSA-N 0 3 338.371 2.203 20 5 EEBDHN CC(C)Oc1nc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000520838160 448937669 /nfs/dbraw/zinc/93/76/69/448937669.db2.gz RPKGYKBJRNGKOS-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CC(F)(F)F ZINC000358348709 465072999 /nfs/dbraw/zinc/07/29/99/465072999.db2.gz CXYKSKARBKJFKY-KOLCDFICSA-N 0 3 349.309 2.215 20 5 EEBDHN [NH3+]CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000336878755 465072854 /nfs/dbraw/zinc/07/28/54/465072854.db2.gz IKFWIFRIDPZMBI-CQSZACIVSA-N 0 3 349.412 2.353 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@@H]2CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859861 465197500 /nfs/dbraw/zinc/19/75/00/465197500.db2.gz CRWRJZHQZCWBNN-NVXWUHKLSA-N 0 3 347.394 2.031 20 5 EEBDHN Cc1cnc(N2CCC(C)(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000347888589 465288541 /nfs/dbraw/zinc/28/85/41/465288541.db2.gz WJZNJYMTZBGGTE-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000590688535 468306860 /nfs/dbraw/zinc/30/68/60/468306860.db2.gz IZTIRSTUDIECCE-SJORKVTESA-N 0 3 342.399 2.178 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000590694544 468309300 /nfs/dbraw/zinc/30/93/00/468309300.db2.gz NEGYCVNZVQDREZ-INIZCTEOSA-N 0 3 342.399 2.808 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007850971 462754449 /nfs/dbraw/zinc/75/44/49/462754449.db2.gz VUKCFODIXGJVIG-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@@H]1CCN(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248826 468320902 /nfs/dbraw/zinc/32/09/02/468320902.db2.gz UYUAUUPNMRIALC-PBHICJAKSA-N 0 3 343.431 2.349 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066042940 462846972 /nfs/dbraw/zinc/84/69/72/462846972.db2.gz WLIWOMISEBAADF-HNNXBMFYSA-N 0 3 330.388 2.150 20 5 EEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCC1 ZINC000590773975 468335343 /nfs/dbraw/zinc/33/53/43/468335343.db2.gz WFXJUKYDPUZMDS-UHFFFAOYSA-N 0 3 343.387 2.102 20 5 EEBDHN Cc1nn(C)c(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000079900077 463259213 /nfs/dbraw/zinc/25/92/13/463259213.db2.gz KBAZFRJAWKULGT-UHFFFAOYSA-N 0 3 339.465 2.410 20 5 EEBDHN COCCN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000138549038 463309728 /nfs/dbraw/zinc/30/97/28/463309728.db2.gz UBFYEKBAANLIDZ-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN CCN1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071893411 463459500 /nfs/dbraw/zinc/45/95/00/463459500.db2.gz OBIRLPWFKHQDQH-UHFFFAOYSA-N 0 3 334.420 2.341 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126232109 463618374 /nfs/dbraw/zinc/61/83/74/463618374.db2.gz AQYRGLVOMDKKAE-ZBEGNZNMSA-N 0 3 330.388 2.488 20 5 EEBDHN CC(C)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834243 463633141 /nfs/dbraw/zinc/63/31/41/463633141.db2.gz OSRWGRXPOUCADN-CJNGLKHVSA-N 0 3 335.404 2.129 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177761886 463784611 /nfs/dbraw/zinc/78/46/11/463784611.db2.gz YFIIVWNILGSIBU-CABCVRRESA-N 0 3 346.431 2.116 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185433082 463822560 /nfs/dbraw/zinc/82/25/60/463822560.db2.gz QYXUNWDLVGECMM-LBPRGKRZSA-N 0 3 337.424 2.265 20 5 EEBDHN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2F)CCNC3)c1[N+](=O)[O-] ZINC000261788328 463860304 /nfs/dbraw/zinc/86/03/04/463860304.db2.gz UCFMUAUUWZJSST-UHFFFAOYSA-N 0 3 347.350 2.308 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269397964 463976311 /nfs/dbraw/zinc/97/63/11/463976311.db2.gz NEQLFIAEOOJNBG-RYUDHWBXSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@@H](CCC1CC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186408296 463993451 /nfs/dbraw/zinc/99/34/51/463993451.db2.gz MRWSALPACSWSOH-LBPRGKRZSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000269591145 464028201 /nfs/dbraw/zinc/02/82/01/464028201.db2.gz CADKWTXUUKMBJN-LBPRGKRZSA-N 0 3 343.387 2.273 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172425044 464078261 /nfs/dbraw/zinc/07/82/61/464078261.db2.gz DKSNUMBCPUUCTL-UHFFFAOYSA-N 0 3 333.432 2.182 20 5 EEBDHN COC(=O)C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591012873 468391837 /nfs/dbraw/zinc/39/18/37/468391837.db2.gz WTVOJWWMXYNAAF-OAHLLOKOSA-N 0 3 349.387 2.341 20 5 EEBDHN COc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964113 464141820 /nfs/dbraw/zinc/14/18/20/464141820.db2.gz VYDWDBFNNDWSLQ-WBVHZDCISA-N 0 3 346.383 2.178 20 5 EEBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179997952 464222067 /nfs/dbraw/zinc/22/20/67/464222067.db2.gz NWPOPIORHQOASL-UHFFFAOYSA-N 0 3 329.303 2.020 20 5 EEBDHN CCC[C@@H](NCCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000271492921 464321996 /nfs/dbraw/zinc/32/19/96/464321996.db2.gz MADYVUQHEZVCSQ-OAHLLOKOSA-N 0 3 344.433 2.087 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264620839 464398372 /nfs/dbraw/zinc/39/83/72/464398372.db2.gz RMGLWSREPOGXQH-GJZGRUSLSA-N 0 3 346.431 2.482 20 5 EEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000238026637 464420893 /nfs/dbraw/zinc/42/08/93/464420893.db2.gz KJXBOCUWYJQNKL-MWLCHTKSSA-N 0 3 347.824 2.044 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCNCC1 ZINC000238170176 464436488 /nfs/dbraw/zinc/43/64/88/464436488.db2.gz QCELRPHJEIPUNJ-UHFFFAOYSA-N 0 3 332.404 2.021 20 5 EEBDHN Cc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000189139211 464441466 /nfs/dbraw/zinc/44/14/66/464441466.db2.gz XKFJHAGJXNITPB-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295207043 464745902 /nfs/dbraw/zinc/74/59/02/464745902.db2.gz ZMGXVFROUYCNKR-CYBMUJFWSA-N 0 3 327.812 2.185 20 5 EEBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276300 464772163 /nfs/dbraw/zinc/77/21/63/464772163.db2.gz AZKPXSRDRNLLBU-UONOGXRCSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176720748 464833475 /nfs/dbraw/zinc/83/34/75/464833475.db2.gz PPAVKGSIQKPIIM-UKRRQHHQSA-N 0 3 332.404 2.454 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000286207857 464839476 /nfs/dbraw/zinc/83/94/76/464839476.db2.gz BKFFZNDDEKKYFF-GOOCMWNKSA-N 0 3 346.431 2.399 20 5 EEBDHN CC(C)(C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786449 464963577 /nfs/dbraw/zinc/96/35/77/464963577.db2.gz ZHYQCERAFXSHJX-XJKSGUPXSA-N 0 3 349.431 2.242 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295898717 464999140 /nfs/dbraw/zinc/99/91/40/464999140.db2.gz IHVAYGVMELNKMV-CYBMUJFWSA-N 0 3 337.420 2.101 20 5 EEBDHN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000282927754 465004272 /nfs/dbraw/zinc/00/42/72/465004272.db2.gz ZRGLSVOUDAYDAC-CYBMUJFWSA-N 0 3 334.420 2.261 20 5 EEBDHN CC[C@H](C)N[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000359566985 465459812 /nfs/dbraw/zinc/45/98/12/465459812.db2.gz WFEODCMMPVDROP-CMPLNLGQSA-N 0 3 349.391 2.089 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000356973131 465669677 /nfs/dbraw/zinc/66/96/77/465669677.db2.gz IGCUHCDYTVYRGP-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301260089 465931623 /nfs/dbraw/zinc/93/16/23/465931623.db2.gz FVZOIKKRWHRJOZ-GFCCVEGCSA-N 0 3 328.800 2.148 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301325233 465942991 /nfs/dbraw/zinc/94/29/91/465942991.db2.gz AHPOKFWSPWFWTA-LLVKDONJSA-N 0 3 331.376 2.022 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699429 465950787 /nfs/dbraw/zinc/95/07/87/465950787.db2.gz OWVNLZAQFLQLRE-YSVLISHTSA-N 0 3 338.404 2.374 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346229317 466011119 /nfs/dbraw/zinc/01/11/19/466011119.db2.gz LUSUMMVUSKATDC-MQIPJXDCSA-N 0 3 332.404 2.101 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279200 466054865 /nfs/dbraw/zinc/05/48/65/466054865.db2.gz VENKWGRQLWVALA-SQWLQELKSA-N 0 3 347.415 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CC[C@@H](CO)O3)o2)cc1 ZINC000353709087 466086404 /nfs/dbraw/zinc/08/64/04/466086404.db2.gz RZCYHGGCJUOYQR-HOCLYGCPSA-N 0 3 332.356 2.484 20 5 EEBDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451375 466089674 /nfs/dbraw/zinc/08/96/74/466089674.db2.gz ZEHDOOYXWHVFJN-XMZIXOGTSA-N 0 3 335.379 2.436 20 5 EEBDHN Cc1c(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000331609339 466162188 /nfs/dbraw/zinc/16/21/88/466162188.db2.gz PCBHNBBYSSWIEU-KRWDZBQOSA-N 0 3 347.415 2.163 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000357855026 466266593 /nfs/dbraw/zinc/26/65/93/466266593.db2.gz DEOCAUUFGGZCMZ-IAQYHMDHSA-N 0 3 345.403 2.356 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000600192176 468490533 /nfs/dbraw/zinc/49/05/33/468490533.db2.gz TWRKDCVEQPFRDY-UHFFFAOYSA-N 0 3 330.388 2.464 20 5 EEBDHN C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000305759707 466452437 /nfs/dbraw/zinc/45/24/37/466452437.db2.gz IPWGEADHUAIMHS-IUODEOHRSA-N 0 3 331.372 2.495 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000332322029 466507291 /nfs/dbraw/zinc/50/72/91/466507291.db2.gz RPTUUHBOXHYNNW-MRXNPFEDSA-N 0 3 346.431 2.402 20 5 EEBDHN COC(=O)[C@@H](O)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368492 466593599 /nfs/dbraw/zinc/59/35/99/466593599.db2.gz YHKUJRQKVJTBMC-QFSNBGPKSA-N 0 3 348.399 2.244 20 5 EEBDHN C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000347417023 466623576 /nfs/dbraw/zinc/62/35/76/466623576.db2.gz CVYHBBHUPHVKGD-MJBXVCDLSA-N 0 3 347.415 2.446 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000374796350 466746454 /nfs/dbraw/zinc/74/64/54/466746454.db2.gz UXNKYPNARQWONI-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000369775310 466752928 /nfs/dbraw/zinc/75/29/28/466752928.db2.gz XHTWEKOJTQIVIA-ROUUACIJSA-N 0 3 339.395 2.351 20 5 EEBDHN Cc1c(CC(=O)NCc2ccc3c(c2)CNC3)cccc1[N+](=O)[O-] ZINC000423584905 466778934 /nfs/dbraw/zinc/77/89/34/466778934.db2.gz SIUNKJTWVLXORT-UHFFFAOYSA-N 0 3 325.368 2.365 20 5 EEBDHN Cc1c(CC(=O)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423680595 466801083 /nfs/dbraw/zinc/80/10/83/466801083.db2.gz UNGYGRMUAGGYLE-KRWDZBQOSA-N 0 3 339.395 2.449 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000373780590 466918333 /nfs/dbraw/zinc/91/83/33/466918333.db2.gz DPKLDSDQULIBOP-OAHLLOKOSA-N 0 3 349.431 2.148 20 5 EEBDHN COc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377576154 467090186 /nfs/dbraw/zinc/09/01/86/467090186.db2.gz WUNYXLRSDLYPLT-ZDUSSCGKSA-N 0 3 333.388 2.350 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](N2CCCC2)C1 ZINC000377595661 467093428 /nfs/dbraw/zinc/09/34/28/467093428.db2.gz QPBKBNIXZALVKO-ZDUSSCGKSA-N 0 3 333.388 2.364 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432172106 467221689 /nfs/dbraw/zinc/22/16/89/467221689.db2.gz KBYGJZVLOAIXIJ-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN CC[C@@]1(O)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428433303 467233712 /nfs/dbraw/zinc/23/37/12/467233712.db2.gz SPMGVFCMBBPNPE-QGZVFWFLSA-N 0 3 330.388 2.342 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000413475317 467250111 /nfs/dbraw/zinc/25/01/11/467250111.db2.gz CPJLNQFQQLDRPO-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000434244361 467383811 /nfs/dbraw/zinc/38/38/11/467383811.db2.gz HNGQZECYQICUEM-CYBMUJFWSA-N 0 3 349.435 2.436 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000457127255 467760874 /nfs/dbraw/zinc/76/08/74/467760874.db2.gz ROLHCRJCMZMYBH-MRXNPFEDSA-N 0 3 344.415 2.491 20 5 EEBDHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450573312 467872212 /nfs/dbraw/zinc/87/22/12/467872212.db2.gz WYRKXXGYFHXNHC-NWDGAFQWSA-N 0 3 343.387 2.150 20 5 EEBDHN C[C@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CN1C1CC1 ZINC000516943394 468057776 /nfs/dbraw/zinc/05/77/76/468057776.db2.gz YJVDXFCBSYNLPM-VHSXEESVSA-N 0 3 329.360 2.281 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCCS2)cc1 ZINC000591759429 468516051 /nfs/dbraw/zinc/51/60/51/468516051.db2.gz NHNCHCKACXOUOY-ZDUSSCGKSA-N 0 3 344.458 2.244 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000591851637 468531789 /nfs/dbraw/zinc/53/17/89/468531789.db2.gz SBUWXZJGRZXEPX-OAHLLOKOSA-N 0 3 331.376 2.292 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000582454263 468541431 /nfs/dbraw/zinc/54/14/31/468541431.db2.gz SXXCERHQKQAASL-LSDHHAIUSA-N 0 3 347.415 2.367 20 5 EEBDHN COc1ccc(CC(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000569874399 468556296 /nfs/dbraw/zinc/55/62/96/468556296.db2.gz CXBCSWPWEZICAE-UHFFFAOYSA-N 0 3 349.431 2.384 20 5 EEBDHN CNc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594418834 468579326 /nfs/dbraw/zinc/57/93/26/468579326.db2.gz MFMHRGDZZQDXLU-KGLIPLIRSA-N 0 3 332.404 2.383 20 5 EEBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570103635 468590021 /nfs/dbraw/zinc/59/00/21/468590021.db2.gz ACICNCDACJBRMV-MRXNPFEDSA-N 0 3 347.415 2.210 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1 ZINC000592244387 468663190 /nfs/dbraw/zinc/66/31/90/468663190.db2.gz BUAHJJPMIGVYAM-OAHLLOKOSA-N 0 3 332.404 2.239 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ccccc2)c1 ZINC000559238706 468732209 /nfs/dbraw/zinc/73/22/09/468732209.db2.gz JBCVPGRJDDNWOR-HNNXBMFYSA-N 0 3 332.356 2.003 20 5 EEBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000571503731 468797008 /nfs/dbraw/zinc/79/70/08/468797008.db2.gz OEVRAKRUMFLTIA-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000614533756 468966403 /nfs/dbraw/zinc/96/64/03/468966403.db2.gz VSYDQRDXVMJMAP-SFHVURJKSA-N 0 3 342.399 2.063 20 5 EEBDHN CCN1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585706847 469017693 /nfs/dbraw/zinc/01/76/93/469017693.db2.gz SDVKSMATUQQUJZ-LBPRGKRZSA-N 0 3 347.419 2.072 20 5 EEBDHN COc1ccc(CC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000573778450 469203118 /nfs/dbraw/zinc/20/31/18/469203118.db2.gz XFVBKNDFWGKQOA-CQSZACIVSA-N 0 3 335.404 2.087 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596251062 469221339 /nfs/dbraw/zinc/22/13/39/469221339.db2.gz KVPYTFGURHZTHI-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](O)C1CCOCC1 ZINC000602546203 469355503 /nfs/dbraw/zinc/35/55/03/469355503.db2.gz GZUBNMAEJYPQRX-CQSZACIVSA-N 0 3 348.321 2.491 20 5 EEBDHN Cc1nc(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000602597355 469378835 /nfs/dbraw/zinc/37/88/35/469378835.db2.gz BHAFOPQHNCPKKJ-UHFFFAOYSA-N 0 3 329.282 2.372 20 5 EEBDHN Cc1n[nH]c(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602597355 469378840 /nfs/dbraw/zinc/37/88/40/469378840.db2.gz BHAFOPQHNCPKKJ-UHFFFAOYSA-N 0 3 329.282 2.372 20 5 EEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(CC2CCC2)CC1 ZINC000619868417 469691104 /nfs/dbraw/zinc/69/11/04/469691104.db2.gz YSLZFBOZJZLOSC-UHFFFAOYSA-N 0 3 331.416 2.472 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000618399352 469984165 /nfs/dbraw/zinc/98/41/65/469984165.db2.gz INKUELGSQQJKFS-YHWZYXNKSA-N 0 3 346.391 2.066 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419101 535986624 /nfs/dbraw/zinc/98/66/24/535986624.db2.gz NDXGFZIPFASGCD-BRWVUGGUSA-N 0 3 347.415 2.183 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780565 536809771 /nfs/dbraw/zinc/80/97/71/536809771.db2.gz XYLRGTAIXKFSKT-BYCMXARLSA-N 0 3 333.388 2.469 20 5 EEBDHN COC(=O)CCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590349 577463626 /nfs/dbraw/zinc/46/36/26/577463626.db2.gz CRNFXELIMRWUEZ-MRXNPFEDSA-N 0 3 336.388 2.293 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000776590482 577463653 /nfs/dbraw/zinc/46/36/53/577463653.db2.gz GPNSQXNJSASFLF-ZWKOTPCHSA-N 0 3 328.368 2.052 20 5 EEBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138660 578182767 /nfs/dbraw/zinc/18/27/67/578182767.db2.gz NLNCLKBNZSMWDT-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138660 578182768 /nfs/dbraw/zinc/18/27/68/578182768.db2.gz NLNCLKBNZSMWDT-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN Cc1c(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)ccn1C ZINC001020560921 675129640 /nfs/dbraw/zinc/12/96/40/675129640.db2.gz NYMPNYAVMVSYRP-SHTZXODSSA-N 0 3 342.399 2.292 20 5 EEBDHN O=C(Cc1ccco1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020790527 675496346 /nfs/dbraw/zinc/49/63/46/675496346.db2.gz GXACHGCTSNYTEV-HDJSIYSDSA-N 0 3 329.356 2.167 20 5 EEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170680894 1200781355 /nfs/dbraw/zinc/78/13/55/1200781355.db2.gz GSENWVPYRXLVCW-NSHDSACASA-N 0 3 339.355 2.166 20 5 EEBDHN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813100672 1201095896 /nfs/dbraw/zinc/09/58/96/1201095896.db2.gz VGAQWCNRGWVFPE-KBPBESRZSA-N 0 3 349.387 2.447 20 5 EEBDHN CCOc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212554 1201466939 /nfs/dbraw/zinc/46/69/39/1201466939.db2.gz LMMWISAPCCXDJG-UHFFFAOYSA-N 0 3 348.447 2.210 20 5 EEBDHN COc1ccc(CN(CCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000880572418 1201526708 /nfs/dbraw/zinc/52/67/08/1201526708.db2.gz QZFIFDAZGLDFAM-SFHVURJKSA-N 0 3 346.383 2.131 20 5 EEBDHN Cc1ccc(N2CCC(NC(=O)CN(C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095418498 1205721881 /nfs/dbraw/zinc/72/18/81/1205721881.db2.gz MXVDHLKAWVJBSA-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119869760 1229619513 /nfs/dbraw/zinc/61/95/13/1229619513.db2.gz WVRIPUBEPWQKOQ-LLVKDONJSA-N 0 3 347.462 2.151 20 5 EEBDHN CC(C)N(C)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096039174 1233849589 /nfs/dbraw/zinc/84/95/89/1233849589.db2.gz XTVYOMULELBIMH-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097190969 1243803167 /nfs/dbraw/zinc/80/31/67/1243803167.db2.gz XTBLUFSPYKDRTG-TXEJJXNPSA-N 0 3 338.383 2.133 20 5 EEBDHN CCc1ccc(C(=O)OC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000861035321 1295225361 /nfs/dbraw/zinc/22/53/61/1295225361.db2.gz ZDMBCFJCDHLWME-HNNXBMFYSA-N 0 3 336.388 2.425 20 5 EEBDHN CCN1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227498203 1301854119 /nfs/dbraw/zinc/85/41/19/1301854119.db2.gz MRCSAOXBJPLASA-UHFFFAOYSA-N 0 3 340.292 2.274 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(OC2COC2)ccn1 ZINC001254538723 1318115235 /nfs/dbraw/zinc/11/52/35/1318115235.db2.gz ZYIYRWAAQNBGKM-CYBMUJFWSA-N 0 3 343.383 2.488 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(Cc3ccncc3)cn1)C2 ZINC001254585683 1318135087 /nfs/dbraw/zinc/13/50/87/1318135087.db2.gz DWDMXYWEUGYGEJ-QGZVFWFLSA-N 0 3 349.394 2.492 20 5 EEBDHN Cc1cncnc1O[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606116 1318142141 /nfs/dbraw/zinc/14/21/41/1318142141.db2.gz DZJCDSOXCZJPFC-IRXDYDNUSA-N 0 3 340.383 2.314 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001254852417 1318204354 /nfs/dbraw/zinc/20/43/54/1318204354.db2.gz YXZAPJKWMJCTQX-ZDUSSCGKSA-N 0 3 345.315 2.362 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165350361 1321506242 /nfs/dbraw/zinc/50/62/42/1321506242.db2.gz VLFDNXSNCGDVEP-NWDGAFQWSA-N 0 3 331.763 2.114 20 5 EEBDHN COC(=O)C[C@@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308016812 1331557979 /nfs/dbraw/zinc/55/79/79/1331557979.db2.gz PVYYOORPZUGHOL-QGZVFWFLSA-N 0 3 349.387 2.163 20 5 EEBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001335460118 1336378705 /nfs/dbraw/zinc/37/87/05/1336378705.db2.gz LHUNDKBDWQKWOO-CQSZACIVSA-N 0 3 344.433 2.019 20 5 EEBDHN COC(=O)[C@H]1C[C@@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC001346534641 1337485820 /nfs/dbraw/zinc/48/58/20/1337485820.db2.gz FLCMRHQZOXCIOL-NJBDSQKTSA-N 0 3 339.319 2.274 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848352532 1338691084 /nfs/dbraw/zinc/69/10/84/1338691084.db2.gz QIYWJVDFORJHDO-KBPBESRZSA-N 0 3 336.367 2.063 20 5 EEBDHN C[NH2+]C1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001579424464 1344380816 /nfs/dbraw/zinc/38/08/16/1344380816.db2.gz DZZGOOPSFNVIBP-UHFFFAOYSA-N 0 3 331.380 2.109 20 5 EEBDHN C[NH2+]C1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001579424464 1344380820 /nfs/dbraw/zinc/38/08/20/1344380820.db2.gz DZZGOOPSFNVIBP-UHFFFAOYSA-N 0 3 331.380 2.109 20 5 EEBDHN CC(C)([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603165276 1350653099 /nfs/dbraw/zinc/65/30/99/1350653099.db2.gz ICIFQLAOEWIKFC-UHFFFAOYSA-N 0 3 346.391 2.070 20 5 EEBDHN CC(C)([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603165276 1350653104 /nfs/dbraw/zinc/65/31/04/1350653104.db2.gz ICIFQLAOEWIKFC-UHFFFAOYSA-N 0 3 346.391 2.070 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604740202 1350995063 /nfs/dbraw/zinc/99/50/63/1350995063.db2.gz SYRRAIKIPNUDIO-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604740202 1350995066 /nfs/dbraw/zinc/99/50/66/1350995066.db2.gz SYRRAIKIPNUDIO-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604740202 1350995070 /nfs/dbraw/zinc/99/50/70/1350995070.db2.gz SYRRAIKIPNUDIO-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604740202 1350995072 /nfs/dbraw/zinc/99/50/72/1350995072.db2.gz SYRRAIKIPNUDIO-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576481903 1403577351 /nfs/dbraw/zinc/57/73/51/1403577351.db2.gz HFTDTCGYLSAOLP-UHFFFAOYSA-N 0 3 328.372 2.154 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCCN(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC001112132436 781144767 /nfs/dbraw/zinc/14/47/67/781144767.db2.gz OCBOSXIHMUFJJH-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCC[S@](=O)Cc2ccccc2)cc1 ZINC000819042371 785371942 /nfs/dbraw/zinc/37/19/42/785371942.db2.gz MDLQSTPQIDWWDF-XDHUDOTRSA-N 0 3 348.424 2.167 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000823305596 787664284 /nfs/dbraw/zinc/66/42/84/787664284.db2.gz KHFHSRSYTNXAJT-OAHLLOKOSA-N 0 3 335.404 2.260 20 5 EEBDHN Cc1cc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC000845873399 789971372 /nfs/dbraw/zinc/97/13/72/789971372.db2.gz TUVFPLXFDCSEHJ-BMIGLBTASA-N 0 3 338.291 2.451 20 5 EEBDHN CCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845873994 789971943 /nfs/dbraw/zinc/97/19/43/789971943.db2.gz FTPDZHSPFUDEAT-IINYFYTJSA-N 0 3 336.323 2.391 20 5 EEBDHN CC(=O)N1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172922208 797152880 /nfs/dbraw/zinc/15/28/80/797152880.db2.gz XHOGJYFTCNGBDM-SUMWQHHRSA-N 0 3 331.416 2.395 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807786974 812345923 /nfs/dbraw/zinc/34/59/23/812345923.db2.gz NFURFBUNWNPQPK-OAHLLOKOSA-N 0 3 346.362 2.349 20 5 EEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173665118 529929872 /nfs/dbraw/zinc/92/98/72/529929872.db2.gz AVXBFSIMROFGDP-ZDUSSCGKSA-N 0 3 341.433 2.090 20 5 EEBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130781824 223176384 /nfs/dbraw/zinc/17/63/84/223176384.db2.gz NXLZMBAGDPAZPE-ZDUSSCGKSA-N 0 3 345.403 2.449 20 5 EEBDHN Cc1cc(NC[C@@H]2CNCCO2)c(Br)cc1[N+](=O)[O-] ZINC000235904061 242284948 /nfs/dbraw/zinc/28/49/48/242284948.db2.gz STQHMAVHXBXQON-VIFPVBQESA-N 0 3 330.182 2.066 20 5 EEBDHN CSc1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449658567 242590471 /nfs/dbraw/zinc/59/04/71/242590471.db2.gz TVWUTEOJICUUNZ-NSHDSACASA-N 0 3 331.344 2.044 20 5 EEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000237847727 242820290 /nfs/dbraw/zinc/82/02/90/242820290.db2.gz WJEGUGFTPMUEHQ-UHFFFAOYSA-N 0 3 347.824 2.188 20 5 EEBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451561588 243159802 /nfs/dbraw/zinc/15/98/02/243159802.db2.gz IUSODQVMMMENEN-SWLSCSKDSA-N 0 3 349.387 2.250 20 5 EEBDHN CC[C@H](C)[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380964 220316461 /nfs/dbraw/zinc/31/64/61/220316461.db2.gz RMPFMWVJEAZMEB-LRDDRELGSA-N 0 3 332.404 2.492 20 5 EEBDHN CCN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000117786824 221089789 /nfs/dbraw/zinc/08/97/89/221089789.db2.gz SKMARPXFSAWDJD-UHFFFAOYSA-N 0 3 325.796 2.391 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261567 256042969 /nfs/dbraw/zinc/04/29/69/256042969.db2.gz WVFGZLJHRANNGB-JSGCOSHPSA-N 0 3 342.403 2.290 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000267622145 256073284 /nfs/dbraw/zinc/07/32/84/256073284.db2.gz MSYPAALCQJTINO-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141080 256117971 /nfs/dbraw/zinc/11/79/71/256117971.db2.gz DFDBIZPQNBUVSO-GUYCJALGSA-N 0 3 346.431 2.386 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272960036 256252468 /nfs/dbraw/zinc/25/24/68/256252468.db2.gz NLFQZJLXISSCCV-NSHDSACASA-N 0 3 334.376 2.229 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273022562 256258228 /nfs/dbraw/zinc/25/82/28/256258228.db2.gz UDOSGMMALGBFJO-LLVKDONJSA-N 0 3 334.376 2.375 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273027482 256258287 /nfs/dbraw/zinc/25/82/87/256258287.db2.gz FOVYWDGSKYPTSB-SJORKVTESA-N 0 3 349.387 2.089 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000273408928 256294056 /nfs/dbraw/zinc/29/40/56/256294056.db2.gz SMDVICGPSDFIMJ-NSHDSACASA-N 0 3 347.375 2.016 20 5 EEBDHN CN(C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276029971 256396666 /nfs/dbraw/zinc/39/66/66/256396666.db2.gz RKILTPVWSCPCFA-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000275821903 256382508 /nfs/dbraw/zinc/38/25/08/256382508.db2.gz NBQBYKVYORQVBU-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000117783022 152083290 /nfs/dbraw/zinc/08/32/90/152083290.db2.gz YXJVJIZCRKBEII-CQSZACIVSA-N 0 3 337.807 2.487 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1Cc1ccccc1 ZINC000342380753 161061167 /nfs/dbraw/zinc/06/11/67/161061167.db2.gz KCMNZKRZMZXMQP-JSGCOSHPSA-N 0 3 328.372 2.316 20 5 EEBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000343486187 161140687 /nfs/dbraw/zinc/14/06/87/161140687.db2.gz GSSKLMAWEHPMMP-UHFFFAOYSA-N 0 3 330.388 2.435 20 5 EEBDHN Cc1cc(NC[C@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000343592152 161149817 /nfs/dbraw/zinc/14/98/17/161149817.db2.gz CHHSKPMFSSUWTE-CYBMUJFWSA-N 0 3 349.412 2.253 20 5 EEBDHN CCCCN(C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352680806 162243302 /nfs/dbraw/zinc/24/33/02/162243302.db2.gz WTQQNYUOTPORNG-UHFFFAOYSA-N 0 3 338.408 2.135 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000359214010 164084666 /nfs/dbraw/zinc/08/46/66/164084666.db2.gz PEIUBAJWQVOEDP-IAQYHMDHSA-N 0 3 332.404 2.185 20 5 EEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1N1CCCC1 ZINC000275417499 269114621 /nfs/dbraw/zinc/11/46/21/269114621.db2.gz HBPNFDULVSCKKL-OLZOCXBDSA-N 0 3 340.424 2.332 20 5 EEBDHN CCOCC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277431369 269155226 /nfs/dbraw/zinc/15/52/26/269155226.db2.gz GDOTWGQUKQLDHI-HNNXBMFYSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H]1CN(CCCNc2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000277977526 269203006 /nfs/dbraw/zinc/20/30/06/269203006.db2.gz KBPGDWSIOVXDTH-LLVKDONJSA-N 0 3 339.421 2.217 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCCCC3)CC2)n1 ZINC000342709500 274004196 /nfs/dbraw/zinc/00/41/96/274004196.db2.gz YXDNIKJGIPPQHE-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000274444558 274196454 /nfs/dbraw/zinc/19/64/54/274196454.db2.gz IAMCTULGQRJONE-ZDUSSCGKSA-N 0 3 334.420 2.263 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264647316 274203656 /nfs/dbraw/zinc/20/36/56/274203656.db2.gz WJLFBXGKMNNJNJ-YOEHRIQHSA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582893 275072488 /nfs/dbraw/zinc/07/24/88/275072488.db2.gz XOWRMMNVTBARAK-YPMHNXCESA-N 0 3 343.387 2.170 20 5 EEBDHN COc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449503503 277819698 /nfs/dbraw/zinc/81/96/98/277819698.db2.gz IEKOEFSHRKFBTF-DYVFJYSZSA-N 0 3 336.388 2.196 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000282157632 292815439 /nfs/dbraw/zinc/81/54/39/292815439.db2.gz TZRBFPFBSWWNSN-OAHLLOKOSA-N 0 3 333.388 2.133 20 5 EEBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640225 312039039 /nfs/dbraw/zinc/03/90/39/312039039.db2.gz QUGIQVJZUNDCAJ-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414582522 313043560 /nfs/dbraw/zinc/04/35/60/313043560.db2.gz LCOFNQVBRYBUDR-CHWSQXEVSA-N 0 3 346.339 2.385 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000120574411 463013839 /nfs/dbraw/zinc/01/38/39/463013839.db2.gz QZYKWNFTUYJLRQ-KBPBESRZSA-N 0 3 335.404 2.162 20 5 EEBDHN CS[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296042547 465061129 /nfs/dbraw/zinc/06/11/29/465061129.db2.gz AOLNORPMPGAMNT-LLVKDONJSA-N 0 3 327.381 2.500 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000358390927 465096760 /nfs/dbraw/zinc/09/67/60/465096760.db2.gz IJJVFNDONCBDSO-HNNXBMFYSA-N 0 3 335.379 2.363 20 5 EEBDHN CCCCNC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000085906933 462564961 /nfs/dbraw/zinc/56/49/61/462564961.db2.gz INVBXSRPTDFYMY-UHFFFAOYSA-N 0 3 337.424 2.000 20 5 EEBDHN CN(C)CCn1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000061635397 462594178 /nfs/dbraw/zinc/59/41/78/462594178.db2.gz FGXQPXRJHPSQOT-UHFFFAOYSA-N 0 3 349.416 2.084 20 5 EEBDHN Cc1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1C ZINC000075766193 462757677 /nfs/dbraw/zinc/75/76/77/462757677.db2.gz OPNSADPWQSSNDA-GOSISDBHSA-N 0 3 344.415 2.434 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394071 462788325 /nfs/dbraw/zinc/78/83/25/462788325.db2.gz YVFKOXLQEQNKML-GXTWGEPZSA-N 0 3 345.403 2.307 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091482794 462883718 /nfs/dbraw/zinc/88/37/18/462883718.db2.gz YQABAKNRRRTOJD-LLVKDONJSA-N 0 3 338.364 2.057 20 5 EEBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000050573898 463001639 /nfs/dbraw/zinc/00/16/39/463001639.db2.gz KHEQARGNNYUDBV-SNVBAGLBSA-N 0 3 334.401 2.398 20 5 EEBDHN CSc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000521793130 468331455 /nfs/dbraw/zinc/33/14/55/468331455.db2.gz YIUKQCCWCYHJCS-CYBMUJFWSA-N 0 3 349.416 2.073 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134882840 463089941 /nfs/dbraw/zinc/08/99/41/463089941.db2.gz NBVVKYVJNPQQCP-CYBMUJFWSA-N 0 3 344.415 2.419 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000590776533 468336675 /nfs/dbraw/zinc/33/66/75/468336675.db2.gz VALFVUCCLKLPLQ-RNCFNFMXSA-N 0 3 343.305 2.390 20 5 EEBDHN Cc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105905132 463496076 /nfs/dbraw/zinc/49/60/76/463496076.db2.gz MTODUMUILGLBKA-OAHLLOKOSA-N 0 3 327.388 2.452 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@H]1C ZINC000351891653 465422448 /nfs/dbraw/zinc/42/24/48/465422448.db2.gz YHXUCSXJSCSBHT-NEPJUHHUSA-N 0 3 349.387 2.316 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846990 463723619 /nfs/dbraw/zinc/72/36/19/463723619.db2.gz BDJRSKYCFZUOJW-XJKSGUPXSA-N 0 3 346.431 2.261 20 5 EEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000193924116 463760068 /nfs/dbraw/zinc/76/00/68/463760068.db2.gz FUJDRPOKFUVHAM-GJZGRUSLSA-N 0 3 346.431 2.116 20 5 EEBDHN COc1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000268513193 463774469 /nfs/dbraw/zinc/77/44/69/463774469.db2.gz VCLWCMIOIRSEMQ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000268513193 463774472 /nfs/dbraw/zinc/77/44/72/463774472.db2.gz VCLWCMIOIRSEMQ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000268513193 463774475 /nfs/dbraw/zinc/77/44/75/463774475.db2.gz VCLWCMIOIRSEMQ-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN CCN1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000269100325 463874399 /nfs/dbraw/zinc/87/43/99/463874399.db2.gz AHKUELMRNVHWJT-UHFFFAOYSA-N 0 3 340.811 2.485 20 5 EEBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000186059820 463929711 /nfs/dbraw/zinc/92/97/11/463929711.db2.gz YNHIERBPBKIAMK-UHFFFAOYSA-N 0 3 349.435 2.132 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000270271758 464242276 /nfs/dbraw/zinc/24/22/76/464242276.db2.gz GSQMYGMBOJFLDW-QGZVFWFLSA-N 0 3 346.431 2.407 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292651016 464299801 /nfs/dbraw/zinc/29/98/01/464299801.db2.gz XSJJSNAZDHDPDQ-SFHVURJKSA-N 0 3 331.416 2.427 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)cc1 ZINC000180816144 464401148 /nfs/dbraw/zinc/40/11/48/464401148.db2.gz TYNRVVOVGVIEMV-ZDUSSCGKSA-N 0 3 326.360 2.328 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[NH2+]C2CCCCCC2)s1 ZINC000237970098 464413270 /nfs/dbraw/zinc/41/32/70/464413270.db2.gz HPTUJCSWUBHJLD-UHFFFAOYSA-N 0 3 347.462 2.247 20 5 EEBDHN CC(C)(O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000272078250 464471116 /nfs/dbraw/zinc/47/11/16/464471116.db2.gz LCCMEIOWCPCXCR-UHFFFAOYSA-N 0 3 345.399 2.030 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175553764 464573859 /nfs/dbraw/zinc/57/38/59/464573859.db2.gz OVYBCFLFPLVTBY-GXTWGEPZSA-N 0 3 332.404 2.361 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000285569897 464613492 /nfs/dbraw/zinc/61/34/92/464613492.db2.gz SIXTYYRYIZPQJU-OAHLLOKOSA-N 0 3 332.404 2.365 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593893 464672093 /nfs/dbraw/zinc/67/20/93/464672093.db2.gz OJQUXSMLGLXOKA-CVEARBPZSA-N 0 3 346.431 2.263 20 5 EEBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000285934456 464748097 /nfs/dbraw/zinc/74/80/97/464748097.db2.gz DAAIEGMOXRQSPQ-GFCCVEGCSA-N 0 3 334.376 2.468 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000295513648 464865891 /nfs/dbraw/zinc/86/58/91/464865891.db2.gz QBMWLOUSGBKOOT-LBPRGKRZSA-N 0 3 337.424 2.121 20 5 EEBDHN CCOC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000286358495 464889618 /nfs/dbraw/zinc/88/96/18/464889618.db2.gz YCYSSENRTQCTAI-HNNXBMFYSA-N 0 3 335.404 2.135 20 5 EEBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000267034813 464911194 /nfs/dbraw/zinc/91/11/94/464911194.db2.gz LLBCPBQPXLHNAT-UHFFFAOYSA-N 0 3 349.391 2.432 20 5 EEBDHN CCN1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276538166 464970933 /nfs/dbraw/zinc/97/09/33/464970933.db2.gz CREUWSYZGBRTNQ-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921409 465390381 /nfs/dbraw/zinc/39/03/81/465390381.db2.gz OTQBROICVFSOQH-UHFFFAOYSA-N 0 3 330.388 2.490 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000356855790 465580363 /nfs/dbraw/zinc/58/03/63/465580363.db2.gz KQMLXJFHQFPOFI-LBPRGKRZSA-N 0 3 345.346 2.353 20 5 EEBDHN C[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000361064257 465740925 /nfs/dbraw/zinc/74/09/25/465740925.db2.gz BQSLFIOXFLGCBW-FZMZJTMJSA-N 0 3 332.404 2.382 20 5 EEBDHN CCCN(CCN(C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340169487 465839487 /nfs/dbraw/zinc/83/94/87/465839487.db2.gz RDUCUYRQJSLABJ-UHFFFAOYSA-N 0 3 332.404 2.419 20 5 EEBDHN CCCCN(C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357192096 465844018 /nfs/dbraw/zinc/84/40/18/465844018.db2.gz VFTOPROLPABGQA-UHFFFAOYSA-N 0 3 339.392 2.074 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340298135 465966440 /nfs/dbraw/zinc/96/64/40/465966440.db2.gz NRBFPCANCDWZDE-UHFFFAOYSA-N 0 3 336.436 2.367 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181860 465968550 /nfs/dbraw/zinc/96/85/50/465968550.db2.gz BWZGCKUQZFFGSZ-OUCADQQQSA-N 0 3 349.435 2.073 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181860 465968553 /nfs/dbraw/zinc/96/85/53/465968553.db2.gz BWZGCKUQZFFGSZ-OUCADQQQSA-N 0 3 349.435 2.073 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346244057 466023152 /nfs/dbraw/zinc/02/31/52/466023152.db2.gz ULTBTOXDPACRSE-DVOMOZLQSA-N 0 3 347.415 2.406 20 5 EEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000302468948 466142214 /nfs/dbraw/zinc/14/22/14/466142214.db2.gz TWFYNDSTHIFBPH-SFHVURJKSA-N 0 3 342.399 2.063 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331768758 466238379 /nfs/dbraw/zinc/23/83/79/466238379.db2.gz JHXZIHKTYMSCFV-LBPRGKRZSA-N 0 3 344.371 2.015 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c1 ZINC000349786223 466240591 /nfs/dbraw/zinc/24/05/91/466240591.db2.gz XFYRTHUDRRABQK-GFCCVEGCSA-N 0 3 343.449 2.219 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C ZINC000357857826 466267579 /nfs/dbraw/zinc/26/75/79/466267579.db2.gz GNEJKVOUQIHGHE-ABAIWWIYSA-N 0 3 331.376 2.048 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332123402 466399808 /nfs/dbraw/zinc/39/98/08/466399808.db2.gz ZNMYXJRZBITAIQ-UHFFFAOYSA-N 0 3 349.387 2.175 20 5 EEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362080235 466539769 /nfs/dbraw/zinc/53/97/69/466539769.db2.gz RJXKBXDMBGOKQG-QAPCUYQASA-N 0 3 332.448 2.053 20 5 EEBDHN N[C@@H](CC1CCCCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829363 466864391 /nfs/dbraw/zinc/86/43/91/466864391.db2.gz RVWAGZRTZJVTQN-HNNXBMFYSA-N 0 3 349.435 2.253 20 5 EEBDHN CCN(CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000448893172 467604238 /nfs/dbraw/zinc/60/42/38/467604238.db2.gz BRDBHJZKRHHQPE-UHFFFAOYSA-N 0 3 343.387 2.199 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000449243296 467625273 /nfs/dbraw/zinc/62/52/73/467625273.db2.gz JSCAKWCCGJILJN-SJKOYZFVSA-N 0 3 338.404 2.208 20 5 EEBDHN CCN1CCN(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450244167 467806994 /nfs/dbraw/zinc/80/69/94/467806994.db2.gz UGRHZOBITGCQPU-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000516139215 468014649 /nfs/dbraw/zinc/01/46/49/468014649.db2.gz YMIGORWWVDBAED-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517366767 468083006 /nfs/dbraw/zinc/08/30/06/468083006.db2.gz ARSCLNONQBHOLC-CYBMUJFWSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591749452 468513982 /nfs/dbraw/zinc/51/39/82/468513982.db2.gz QNIOGTMSJBGMPW-CYBMUJFWSA-N 0 3 349.412 2.157 20 5 EEBDHN C[C@@H](C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000582521235 468550910 /nfs/dbraw/zinc/55/09/10/468550910.db2.gz RASPEBYWHNOGAS-PBHICJAKSA-N 0 3 349.431 2.268 20 5 EEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000570228520 468608403 /nfs/dbraw/zinc/60/84/03/468608403.db2.gz NSEWKXGFMVBTJF-OAHLLOKOSA-N 0 3 345.403 2.204 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCN1CCCO ZINC000595041354 468747801 /nfs/dbraw/zinc/74/78/01/468747801.db2.gz KLFFUSKTASNWMX-ZFWWWQNUSA-N 0 3 337.420 2.101 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(CCCO)C1 ZINC000595043256 468747851 /nfs/dbraw/zinc/74/78/51/468747851.db2.gz VOQZWXVPPLSEDJ-ZIAGYGMSSA-N 0 3 337.420 2.101 20 5 EEBDHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000601151256 468762677 /nfs/dbraw/zinc/76/26/77/468762677.db2.gz UUNHYMFILLMOLX-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598343874 468838061 /nfs/dbraw/zinc/83/80/61/468838061.db2.gz XDVPUYRBLFYLNA-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN COc1ccc(NC(=O)CCN(C)CC2=CCCOC2)c([N+](=O)[O-])c1 ZINC000595751876 468987862 /nfs/dbraw/zinc/98/78/62/468987862.db2.gz JOUADZKXYPHBJU-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000599072993 469107994 /nfs/dbraw/zinc/10/79/94/469107994.db2.gz NMTRTCZFMYZKOB-NILFDRSVSA-N 0 3 341.433 2.106 20 5 EEBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000611197508 469190021 /nfs/dbraw/zinc/19/00/21/469190021.db2.gz JHENTNUVYIQZBX-UHFFFAOYSA-N 0 3 345.355 2.397 20 5 EEBDHN CSc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1 ZINC000596247657 469220496 /nfs/dbraw/zinc/22/04/96/469220496.db2.gz KNRBSJAYVDJBHF-CQSZACIVSA-N 0 3 347.444 3.009 20 5 EEBDHN NC(=O)c1cc(NC[C@@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558208 469300556 /nfs/dbraw/zinc/30/05/56/469300556.db2.gz OZQKWGMSXOKSKX-HNNXBMFYSA-N 0 3 340.383 2.380 20 5 EEBDHN Cc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626206 469315407 /nfs/dbraw/zinc/31/54/07/469315407.db2.gz HWNCLOINLJHCAV-OAHLLOKOSA-N 0 3 348.403 2.278 20 5 EEBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879465 469333419 /nfs/dbraw/zinc/33/34/19/469333419.db2.gz GVJNPJIDYPEBNP-QGZVFWFLSA-N 0 3 345.399 2.059 20 5 EEBDHN Cc1ccncc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939749 469348299 /nfs/dbraw/zinc/34/82/99/469348299.db2.gz NORAGUHWHUCOKT-DZGCQCFKSA-N 0 3 331.372 2.389 20 5 EEBDHN COc1ccc(C)cc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603557387 469411736 /nfs/dbraw/zinc/41/17/36/469411736.db2.gz KAGMWVRIICQDBX-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185878763 533918653 /nfs/dbraw/zinc/91/86/53/533918653.db2.gz FCTOCERBXDDLOQ-CYBMUJFWSA-N 0 3 340.855 2.364 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCOCC3(CCOCC3)C2)c1 ZINC000184120582 534886256 /nfs/dbraw/zinc/88/62/56/534886256.db2.gz LJWLOIYYWFSTGF-UHFFFAOYSA-N 0 3 336.388 2.103 20 5 EEBDHN CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940569 535809108 /nfs/dbraw/zinc/80/91/08/535809108.db2.gz IDDMRMSVKKJZTR-SJORKVTESA-N 0 3 347.415 2.199 20 5 EEBDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279107 577456627 /nfs/dbraw/zinc/45/66/27/577456627.db2.gz XHSMUGWAECVNDF-PBHICJAKSA-N 0 3 330.388 2.241 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000736101951 578179833 /nfs/dbraw/zinc/17/98/33/578179833.db2.gz OBMQEENOADDYLS-GFCCVEGCSA-N 0 3 339.367 2.103 20 5 EEBDHN CC(COC(=O)c1cc(Br)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813103366 675679558 /nfs/dbraw/zinc/67/95/58/675679558.db2.gz PJZHTQJRKUKYPY-ZETCQYMHSA-N 0 3 346.133 2.042 20 5 EEBDHN COc1c([O-])ccc(C[NH2+]CCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000892553135 681758595 /nfs/dbraw/zinc/75/85/95/681758595.db2.gz ISXHNRDOGYUZIF-UHFFFAOYSA-N 0 3 338.282 2.368 20 5 EEBDHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894430320 682892650 /nfs/dbraw/zinc/89/26/50/682892650.db2.gz UKGVCFFTTQOBIS-NWDGAFQWSA-N 0 3 348.790 2.052 20 5 EEBDHN CC1(C)CCN(CC(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001059819604 689932320 /nfs/dbraw/zinc/93/23/20/689932320.db2.gz KWEULMXVLGJLLS-GASCZTMLSA-N 0 3 346.431 2.386 20 5 EEBDHN Cc1nc(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cs1 ZINC001134702972 1199760396 /nfs/dbraw/zinc/76/03/96/1199760396.db2.gz DHNSPGNKBVIQAQ-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877345762 1199909656 /nfs/dbraw/zinc/90/96/56/1199909656.db2.gz BITRMOOXBDTCEC-MRXNPFEDSA-N 0 3 325.368 2.348 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)c2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000900964883 1235053988 /nfs/dbraw/zinc/05/39/88/1235053988.db2.gz BDSQRQXGYIPMLJ-CYBMUJFWSA-N 0 3 345.403 2.152 20 5 EEBDHN CC(C)(F)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048641387 1238165921 /nfs/dbraw/zinc/16/59/21/1238165921.db2.gz ZVEVOIIFKJJTTO-OKILXGFUSA-N 0 3 335.379 2.233 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097184586 1243797295 /nfs/dbraw/zinc/79/72/95/1243797295.db2.gz HIQSATHIFBNSCL-OKILXGFUSA-N 0 3 334.420 2.304 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097203470 1243818518 /nfs/dbraw/zinc/81/85/18/1243818518.db2.gz LOQZFUVKXZICFS-BETUJISGSA-N 0 3 338.383 2.135 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000827497068 1248228998 /nfs/dbraw/zinc/22/89/98/1248228998.db2.gz SFQGZKNTNHVBBA-QWHCGFSZSA-N 0 3 328.372 2.418 20 5 EEBDHN COc1cc(CNC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000114508351 1293591153 /nfs/dbraw/zinc/59/11/53/1293591153.db2.gz DOJABHNOSKHIRC-QGZVFWFLSA-N 0 3 332.356 2.306 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264811 1310249307 /nfs/dbraw/zinc/24/93/07/1310249307.db2.gz WWWRSYFUPFURJS-WOPDTQHZSA-N 0 3 332.404 2.380 20 5 EEBDHN CN1CCN(CCC(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001143232703 1315896840 /nfs/dbraw/zinc/89/68/40/1315896840.db2.gz MCRYXOABETWMJB-UHFFFAOYSA-N 0 3 349.438 2.359 20 5 EEBDHN O=C(CCOc1ccccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150923321 1316410521 /nfs/dbraw/zinc/41/05/21/1316410521.db2.gz UCJNVPXIVHWQBA-UHFFFAOYSA-N 0 3 343.383 2.270 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCC4(C3)OCCO4)CC2)cc1 ZINC001254478381 1318083764 /nfs/dbraw/zinc/08/37/64/1318083764.db2.gz ASFZFTIVEHVFOK-UHFFFAOYSA-N 0 3 333.388 2.012 20 5 EEBDHN Cc1cnc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254611775 1318143164 /nfs/dbraw/zinc/14/31/64/1318143164.db2.gz SYNNBRQPBCROPI-DLBZAZTESA-N 0 3 340.383 2.314 20 5 EEBDHN O=C(/C=C\c1ccc[nH]1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157073851 1318383885 /nfs/dbraw/zinc/38/38/85/1318383885.db2.gz GWWFQKWDAFPVMR-PLNGDYQASA-N 0 3 334.401 2.294 20 5 EEBDHN CN1CCN(C(=N)Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001157916457 1318928801 /nfs/dbraw/zinc/92/88/01/1318928801.db2.gz ZVGXCAKSNOYJPE-UHFFFAOYSA-N 0 3 348.794 2.390 20 5 EEBDHN COc1cc(C)nc(NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC001163272790 1321084026 /nfs/dbraw/zinc/08/40/26/1321084026.db2.gz UFBWBLWXHJUTJE-AWEZNQCLSA-N 0 3 328.372 2.433 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2ncc3c2CCNC3)c1 ZINC001165218615 1321475838 /nfs/dbraw/zinc/47/58/38/1321475838.db2.gz GHBVZDKIVFKQOF-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC001321720626 1333148598 /nfs/dbraw/zinc/14/85/98/1333148598.db2.gz NIXZDFDMNWPJPO-KGLIPLIRSA-N 0 3 341.433 2.054 20 5 EEBDHN Nc1cc(N2CCCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001339517816 1337019550 /nfs/dbraw/zinc/01/95/50/1337019550.db2.gz GSJZFYIJSODIPE-UHFFFAOYSA-N 0 3 327.388 2.284 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100576891 1338523342 /nfs/dbraw/zinc/52/33/42/1338523342.db2.gz ZBCFNDHSXFLNNQ-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@H]2CCCN2)n1 ZINC001580493592 1344525802 /nfs/dbraw/zinc/52/58/02/1344525802.db2.gz IOTASPGRVIQPJT-LHRNQBEKSA-N 0 3 339.355 2.461 20 5 EEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2CN1 ZINC001580493955 1344526574 /nfs/dbraw/zinc/52/65/74/1344526574.db2.gz ONMLLAQHIFCUHS-CGQZWFTASA-N 0 3 337.379 2.439 20 5 EEBDHN O=[N+]([O-])c1cc(NC2CC([NH+]3CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC001593474569 1349807782 /nfs/dbraw/zinc/80/77/82/1349807782.db2.gz TWCPCTHKZPSDCZ-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001604038057 1350835520 /nfs/dbraw/zinc/83/55/20/1350835520.db2.gz URPYOYKQYXDQEZ-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001604038057 1350835525 /nfs/dbraw/zinc/83/55/25/1350835525.db2.gz URPYOYKQYXDQEZ-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001607083804 1351410890 /nfs/dbraw/zinc/41/08/90/1351410890.db2.gz NOKUQTTVLYDMSC-NSHDSACASA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC001607083804 1351410893 /nfs/dbraw/zinc/41/08/93/1351410893.db2.gz NOKUQTTVLYDMSC-NSHDSACASA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001607083804 1351410894 /nfs/dbraw/zinc/41/08/94/1351410894.db2.gz NOKUQTTVLYDMSC-NSHDSACASA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC001607083804 1351410895 /nfs/dbraw/zinc/41/08/95/1351410895.db2.gz NOKUQTTVLYDMSC-NSHDSACASA-N 0 3 340.343 2.357 20 5 EEBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000573713911 1367389901 /nfs/dbraw/zinc/38/99/01/1367389901.db2.gz QPKWEQRWUOABLJ-CQSZACIVSA-N 0 3 342.399 2.457 20 5 EEBDHN CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121720007 1371918417 /nfs/dbraw/zinc/91/84/17/1371918417.db2.gz LECVGLQLQHLCLC-RYUDHWBXSA-N 0 3 347.423 2.120 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1coc(C2CC2)n1 ZINC001167737792 765615067 /nfs/dbraw/zinc/61/50/67/765615067.db2.gz CAGDRHCCRIUNJS-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CCN(CC)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127654146 777636718 /nfs/dbraw/zinc/63/67/18/777636718.db2.gz GTUKAPXVJWMOLV-UHFFFAOYSA-N 0 3 346.431 2.189 20 5 EEBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954335 790774558 /nfs/dbraw/zinc/77/45/58/790774558.db2.gz FGIBZKXROSXYFM-HJIKLVIJSA-N 0 3 341.795 2.324 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107280924 786701157 /nfs/dbraw/zinc/70/11/57/786701157.db2.gz YBOUYHWFTLTIRI-WAYWQWQTSA-N 0 3 334.420 2.329 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107280840 786701207 /nfs/dbraw/zinc/70/12/07/786701207.db2.gz WDUMOALEJCQUJY-SNAWJCMRSA-N 0 3 338.383 2.160 20 5 EEBDHN CCNC(=O)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881437 789973785 /nfs/dbraw/zinc/97/37/85/789973785.db2.gz ZRDKUEWUFCUXTA-BDJLRTHQSA-N 0 3 340.351 2.382 20 5 EEBDHN Cc1nn(C(C)C)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147580141 791875597 /nfs/dbraw/zinc/87/55/97/791875597.db2.gz VNOZENLCAORJFP-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CN1CCCC1 ZINC001106777497 796516003 /nfs/dbraw/zinc/51/60/03/796516003.db2.gz XRWNEYBEUIHRAX-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](C(N)=O)C(C)(C)C)c1F ZINC001173191937 797281865 /nfs/dbraw/zinc/28/18/65/797281865.db2.gz NWYOINMEEOENLI-LKFCYVNXSA-N 0 3 341.383 2.163 20 5 EEBDHN CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194336 797283051 /nfs/dbraw/zinc/28/30/51/797283051.db2.gz SQWVSNRVLDEKIP-AVGNSLFASA-N 0 3 337.395 2.452 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001086430248 802955695 /nfs/dbraw/zinc/95/56/95/802955695.db2.gz HYQVMBRFQNKKJG-YEORSEQZSA-N 0 3 346.362 2.360 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006571 803568027 /nfs/dbraw/zinc/56/80/27/803568027.db2.gz IKXBXKAPSVPENY-KBPBESRZSA-N 0 3 330.388 2.395 20 5 EEBDHN COCCC(C)(C)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001169857148 804132781 /nfs/dbraw/zinc/13/27/81/804132781.db2.gz ZIZUXHDJKPAKGG-UHFFFAOYSA-N 0 3 343.449 2.315 20 5 EEBDHN COCc1ccccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130771112 812016139 /nfs/dbraw/zinc/01/61/39/812016139.db2.gz FNSVBSDXZFHDJW-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807987779 812403999 /nfs/dbraw/zinc/40/39/99/812403999.db2.gz NNOGHVPYDDHARO-NSHDSACASA-N 0 3 349.416 2.156 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178503422 232208303 /nfs/dbraw/zinc/20/83/03/232208303.db2.gz QXYMPVKVRQOZNR-INIZCTEOSA-N 0 3 349.431 2.018 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180908800 234026687 /nfs/dbraw/zinc/02/66/87/234026687.db2.gz KPDYWFIGWFDFCG-NWDGAFQWSA-N 0 3 349.387 2.174 20 5 EEBDHN COCCN(C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000061379442 201145618 /nfs/dbraw/zinc/14/56/18/201145618.db2.gz ZFPRZEMTLIMQHD-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN COc1cc(CNC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O ZINC000077460405 203388997 /nfs/dbraw/zinc/38/89/97/203388997.db2.gz LNYWNPWGZWZZJE-HNNXBMFYSA-N 0 3 338.385 2.368 20 5 EEBDHN Cc1cc(C(=O)NCc2ccccc2CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000104825099 204121506 /nfs/dbraw/zinc/12/15/06/204121506.db2.gz XHXUQHAGOCTXMV-UHFFFAOYSA-N 0 3 342.399 2.477 20 5 EEBDHN CC(COC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000496217251 247387152 /nfs/dbraw/zinc/38/71/52/247387152.db2.gz PDIODIPKDQDPDM-SNVBAGLBSA-N 0 3 339.348 2.180 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174952298 207075834 /nfs/dbraw/zinc/07/58/34/207075834.db2.gz IUJQTFJSLWGLLT-QGZVFWFLSA-N 0 3 343.431 2.388 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000267448502 256060133 /nfs/dbraw/zinc/06/01/33/256060133.db2.gz LMTBGRKWCJMDAB-GXTWGEPZSA-N 0 3 336.417 2.441 20 5 EEBDHN Cc1cnc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000270722638 256164462 /nfs/dbraw/zinc/16/44/62/256164462.db2.gz ONCRJFUQXYMGRN-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272876999 256245443 /nfs/dbraw/zinc/24/54/43/256245443.db2.gz XMSKHSSIXHGKAG-ZDUSSCGKSA-N 0 3 332.404 2.087 20 5 EEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000273565931 256307220 /nfs/dbraw/zinc/30/72/20/256307220.db2.gz CNERUGZQECEHTG-CQSZACIVSA-N 0 3 327.388 2.486 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cn1 ZINC000274004417 256344880 /nfs/dbraw/zinc/34/48/80/256344880.db2.gz UDDLEYNSXIKMHL-UHFFFAOYSA-N 0 3 337.330 2.231 20 5 EEBDHN CN(C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000276025297 256396603 /nfs/dbraw/zinc/39/66/03/256396603.db2.gz QZODUMOZMTYEIK-UHFFFAOYSA-N 0 3 330.388 2.219 20 5 EEBDHN Cc1ccc(NCCCNC(=O)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000081435666 159153039 /nfs/dbraw/zinc/15/30/39/159153039.db2.gz NXMJBGHQTFQBAQ-UHFFFAOYSA-N 0 3 334.420 2.163 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000237724694 160224502 /nfs/dbraw/zinc/22/45/02/160224502.db2.gz NNUUEJJDAKJOOH-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341862998 161019693 /nfs/dbraw/zinc/01/96/93/161019693.db2.gz ULMAQYBVVRFSRW-UHFFFAOYSA-N 0 3 343.449 2.385 20 5 EEBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000343066964 161099609 /nfs/dbraw/zinc/09/96/09/161099609.db2.gz JKWQOSOFXMDOPH-UONOGXRCSA-N 0 3 335.404 2.353 20 5 EEBDHN Cn1c(C(=O)NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000345605276 161315462 /nfs/dbraw/zinc/31/54/62/161315462.db2.gz WQPGBZKRFWVMBW-UHFFFAOYSA-N 0 3 342.399 2.112 20 5 EEBDHN CCOc1cccc(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000359709543 164157768 /nfs/dbraw/zinc/15/77/68/164157768.db2.gz VAUBDYIMZHZXBL-AWEZNQCLSA-N 0 3 337.420 2.498 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832216 164387777 /nfs/dbraw/zinc/38/77/77/164387777.db2.gz DGFXKWGCJLHJMO-DOMZBBRYSA-N 0 3 338.404 2.432 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000369667625 166309445 /nfs/dbraw/zinc/30/94/45/166309445.db2.gz ZZXPXMVPLKKLKF-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000274952670 269078926 /nfs/dbraw/zinc/07/89/26/269078926.db2.gz CHGPBACLHYIKBX-JTQLQIEISA-N 0 3 346.391 2.485 20 5 EEBDHN CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000274952670 269078928 /nfs/dbraw/zinc/07/89/28/269078928.db2.gz CHGPBACLHYIKBX-JTQLQIEISA-N 0 3 346.391 2.485 20 5 EEBDHN CN1CCN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278365411 269226676 /nfs/dbraw/zinc/22/66/76/269226676.db2.gz KQEKYYVMQZZCHV-UHFFFAOYSA-N 0 3 347.341 2.058 20 5 EEBDHN Cc1c(C(=O)NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000278642518 269238829 /nfs/dbraw/zinc/23/88/29/269238829.db2.gz SITKWIBEPHHPCZ-CYBMUJFWSA-N 0 3 335.404 2.134 20 5 EEBDHN CO[C@H]1C[C@@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])N(C)C1 ZINC000345129593 274083085 /nfs/dbraw/zinc/08/30/85/274083085.db2.gz GRTBXYAJKIRVIV-RYUDHWBXSA-N 0 3 327.812 2.399 20 5 EEBDHN COc1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608194 274144850 /nfs/dbraw/zinc/14/48/50/274144850.db2.gz JOKYADRICMCGNK-JSGCOSHPSA-N 0 3 329.397 2.224 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271787481 274152110 /nfs/dbraw/zinc/15/21/10/274152110.db2.gz KXKJEYMNKUBFFM-RYUDHWBXSA-N 0 3 343.836 2.366 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000277411180 274291080 /nfs/dbraw/zinc/29/10/80/274291080.db2.gz HWXNEAOSYGPTDC-WFASDCNBSA-N 0 3 333.388 2.160 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000277933430 274325071 /nfs/dbraw/zinc/32/50/71/274325071.db2.gz KAWCIGWIMLMLEJ-IAQYHMDHSA-N 0 3 345.403 2.302 20 5 EEBDHN C[C@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099032 274678097 /nfs/dbraw/zinc/67/80/97/274678097.db2.gz KFUAHHDFXMNVER-GXTWGEPZSA-N 0 3 344.419 2.230 20 5 EEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287988096 275012603 /nfs/dbraw/zinc/01/26/03/275012603.db2.gz RPMAAXNHVKCDRP-CQSZACIVSA-N 0 3 338.383 2.089 20 5 EEBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000311094642 275041201 /nfs/dbraw/zinc/04/12/01/275041201.db2.gz ZNKIXGZZHMLBER-HZPDHXFCSA-N 0 3 339.399 2.343 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290277611 275194391 /nfs/dbraw/zinc/19/43/91/275194391.db2.gz LZKXYIZQHXNZLH-ZDUSSCGKSA-N 0 3 328.434 2.329 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477217 280799025 /nfs/dbraw/zinc/79/90/25/280799025.db2.gz ZOOBTCNADNXENN-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN CN(C)C1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000353668435 282044424 /nfs/dbraw/zinc/04/44/24/282044424.db2.gz FYXUHBYSEIILBI-MRXNPFEDSA-N 0 3 343.431 2.492 20 5 EEBDHN C[NH+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000026854313 289225453 /nfs/dbraw/zinc/22/54/53/289225453.db2.gz MVZZKSPXZAPMHZ-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000493829517 289340336 /nfs/dbraw/zinc/34/03/36/289340336.db2.gz WYVVQKVLDOUFHQ-KQQSKNTNSA-N 0 3 335.429 2.162 20 5 EEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000297267608 294196996 /nfs/dbraw/zinc/19/69/96/294196996.db2.gz ZFNVMAMGMHKNDG-OAHLLOKOSA-N 0 3 337.420 2.250 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425276470 314370755 /nfs/dbraw/zinc/37/07/55/314370755.db2.gz PLJCUXZAGGHIPT-LSDHHAIUSA-N 0 3 327.388 2.039 20 5 EEBDHN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444612740 315311119 /nfs/dbraw/zinc/31/11/19/315311119.db2.gz IYMXFZQKRBZHIJ-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000452085217 315492360 /nfs/dbraw/zinc/49/23/60/315492360.db2.gz NRAWASMWLBMLAP-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC(COC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000496841358 316291644 /nfs/dbraw/zinc/29/16/44/316291644.db2.gz VPANHGNRBCVQGY-VXGBXAGGSA-N 0 3 342.392 2.232 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548413227 318386917 /nfs/dbraw/zinc/38/69/17/318386917.db2.gz OIKVBZNWLCATBM-AWEZNQCLSA-N 0 3 331.376 2.131 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000562402307 318878187 /nfs/dbraw/zinc/87/81/87/318878187.db2.gz VFEGUCFGVFMSQZ-BYCMXARLSA-N 0 3 337.445 2.202 20 5 EEBDHN CN(C)CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000563362213 319000524 /nfs/dbraw/zinc/00/05/24/319000524.db2.gz BSUYIOZTDVUOJI-UHFFFAOYSA-N 0 3 344.415 2.432 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209136 465116058 /nfs/dbraw/zinc/11/60/58/465116058.db2.gz FYVLKAQINXTQFV-GDBMZVCRSA-N 0 3 333.432 2.459 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000088718023 462642878 /nfs/dbraw/zinc/64/28/78/462642878.db2.gz VRPYPIVVEWNGHC-MRXNPFEDSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1cnc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643965 462702996 /nfs/dbraw/zinc/70/29/96/462702996.db2.gz MRLXZWXGTSTNHQ-CVEARBPZSA-N 0 3 342.399 2.346 20 5 EEBDHN Nc1nc(NC[C@H]2CCCN(Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000064550824 462709499 /nfs/dbraw/zinc/70/94/99/462709499.db2.gz CAICENHRGCLQRJ-LLVKDONJSA-N 0 3 348.432 2.353 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC(C)CC1 ZINC000075942916 462777352 /nfs/dbraw/zinc/77/73/52/462777352.db2.gz QIGMZIULCFYETA-UHFFFAOYSA-N 0 3 336.392 2.457 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CCCCC1 ZINC000076190340 462820404 /nfs/dbraw/zinc/82/04/04/462820404.db2.gz BHBBCYMGYPOYIF-UHFFFAOYSA-N 0 3 341.433 2.058 20 5 EEBDHN CCCNC(=O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000050993938 463015069 /nfs/dbraw/zinc/01/50/69/463015069.db2.gz XQMDUVYHQFWCNM-CQSZACIVSA-N 0 3 335.404 2.212 20 5 EEBDHN CN1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000023242121 463063242 /nfs/dbraw/zinc/06/32/42/463063242.db2.gz FBRAXIFLJQLFOQ-UHFFFAOYSA-N 0 3 346.431 2.022 20 5 EEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000491290595 468342867 /nfs/dbraw/zinc/34/28/67/468342867.db2.gz GDAAWIYHNKJUBO-KXFIGUGUSA-N 0 3 333.363 2.490 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159715627 463301190 /nfs/dbraw/zinc/30/11/90/463301190.db2.gz RYMQFUOBALCDAI-UHFFFAOYSA-N 0 3 329.360 2.474 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000033084164 463412417 /nfs/dbraw/zinc/41/24/17/463412417.db2.gz UPNJDYALIJLMTC-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150875490 463443920 /nfs/dbraw/zinc/44/39/20/463443920.db2.gz VESWVKFWMOKJQO-ZDUSSCGKSA-N 0 3 325.384 2.369 20 5 EEBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000041630770 463499000 /nfs/dbraw/zinc/49/90/00/463499000.db2.gz IOMXQJBULGWMEE-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083444102 463547612 /nfs/dbraw/zinc/54/76/12/463547612.db2.gz AQXWWYPLAUDQMB-UHFFFAOYSA-N 0 3 331.376 2.361 20 5 EEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000522256639 468366119 /nfs/dbraw/zinc/36/61/19/468366119.db2.gz HQGIAZAJDXNHQC-GOSISDBHSA-N 0 3 341.367 2.170 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)C1CC1 ZINC000152043919 463635907 /nfs/dbraw/zinc/63/59/07/463635907.db2.gz MHIIPBLMNNLNLN-LLVKDONJSA-N 0 3 328.372 2.356 20 5 EEBDHN CC[C@H](C)[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380105 463700607 /nfs/dbraw/zinc/70/06/07/463700607.db2.gz QUTFMAJMVYOSRK-ZBEGNZNMSA-N 0 3 326.393 2.499 20 5 EEBDHN C[C@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112547862 463703468 /nfs/dbraw/zinc/70/34/68/463703468.db2.gz CFVUSSMMLJWSFD-JTQLQIEISA-N 0 3 337.767 2.062 20 5 EEBDHN CCc1ccc([C@@H]2CNCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000261675864 463823970 /nfs/dbraw/zinc/82/39/70/463823970.db2.gz HZQJUAMUFQYQRR-KRWDZBQOSA-N 0 3 329.404 2.000 20 5 EEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N(C)C(C)C)cccc1[N+](=O)[O-] ZINC000178160925 463854956 /nfs/dbraw/zinc/85/49/56/463854956.db2.gz WANGBBMCWFWXGE-LBPRGKRZSA-N 0 3 342.417 2.073 20 5 EEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194773036 463926399 /nfs/dbraw/zinc/92/63/99/463926399.db2.gz NJTCFJRCXLBSFT-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN O=C1NCCC[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590971674 468387651 /nfs/dbraw/zinc/38/76/51/468387651.db2.gz FFZYWCYOFKAMRG-LBPRGKRZSA-N 0 3 329.356 2.471 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000172328400 464054634 /nfs/dbraw/zinc/05/46/34/464054634.db2.gz QAVBHVUYCIHXSW-GFCCVEGCSA-N 0 3 336.392 2.409 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000172417611 464076003 /nfs/dbraw/zinc/07/60/03/464076003.db2.gz DNZBLCQPDJTZDF-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280770949 464250701 /nfs/dbraw/zinc/25/07/01/464250701.db2.gz YYSPNWQEINKYDJ-LLVKDONJSA-N 0 3 343.786 2.482 20 5 EEBDHN COc1cc(CNC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000237270686 464294348 /nfs/dbraw/zinc/29/43/48/464294348.db2.gz WNFLDUIUIFNIRB-INIZCTEOSA-N 0 3 332.356 2.441 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000272504202 464636312 /nfs/dbraw/zinc/63/63/12/464636312.db2.gz ODXFQBZELXOFTM-CXAGYDPISA-N 0 3 342.399 2.102 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265903913 464726308 /nfs/dbraw/zinc/72/63/08/464726308.db2.gz DSLYAJLJHJDHJM-UHFFFAOYSA-N 0 3 339.395 2.424 20 5 EEBDHN CCN(CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282184167 464727181 /nfs/dbraw/zinc/72/71/81/464727181.db2.gz WBRGZPHZVVEOTE-UHFFFAOYSA-N 0 3 349.387 2.123 20 5 EEBDHN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457355 464774451 /nfs/dbraw/zinc/77/44/51/464774451.db2.gz PLGVXMAJHKWPQE-TZMCWYRMSA-N 0 3 336.417 2.223 20 5 EEBDHN CCCN(CCN1CCCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000286122795 464811881 /nfs/dbraw/zinc/81/18/81/464811881.db2.gz GUBSZXQXIAIXID-UHFFFAOYSA-N 0 3 337.424 2.218 20 5 EEBDHN CCCN(CCN1CCCCC1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000286122795 464811886 /nfs/dbraw/zinc/81/18/86/464811886.db2.gz GUBSZXQXIAIXID-UHFFFAOYSA-N 0 3 337.424 2.218 20 5 EEBDHN CCOC(=O)c1ccnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286509099 464942726 /nfs/dbraw/zinc/94/27/26/464942726.db2.gz YVWCFVYTPZODTQ-STQMWFEESA-N 0 3 348.403 2.230 20 5 EEBDHN CO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875939 464993546 /nfs/dbraw/zinc/99/35/46/464993546.db2.gz FXYNOJNKURMVBW-BBRMVZONSA-N 0 3 338.404 2.081 20 5 EEBDHN CCNC(=O)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022298 465023055 /nfs/dbraw/zinc/02/30/55/465023055.db2.gz PDXZLSYGJIDVGA-CJNGLKHVSA-N 0 3 332.404 2.366 20 5 EEBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C ZINC000298353625 465371851 /nfs/dbraw/zinc/37/18/51/465371851.db2.gz NUDCBBQYWICUHO-AWEZNQCLSA-N 0 3 337.423 2.221 20 5 EEBDHN CN(C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000356880727 465596115 /nfs/dbraw/zinc/59/61/15/465596115.db2.gz LAHWDHUUGBNQCV-UHFFFAOYSA-N 0 3 344.371 2.015 20 5 EEBDHN CCOC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000348441275 465608608 /nfs/dbraw/zinc/60/86/08/465608608.db2.gz KMKBOVLVYVREDS-AWEZNQCLSA-N 0 3 339.392 2.193 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@@H]1C ZINC000299325580 465697603 /nfs/dbraw/zinc/69/76/03/465697603.db2.gz PNLFYVDNQSDVPL-NSHDSACASA-N 0 3 339.417 2.369 20 5 EEBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000299463993 465758431 /nfs/dbraw/zinc/75/84/31/465758431.db2.gz YMQOFMSMMVNYHI-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CNc1c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179107 465819585 /nfs/dbraw/zinc/81/95/85/465819585.db2.gz OVBJKPHKOLXNSS-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166681 465953998 /nfs/dbraw/zinc/95/39/98/465953998.db2.gz SAOANSKCSPKOHI-JJRVBVJISA-N 0 3 331.416 2.326 20 5 EEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118018 465980262 /nfs/dbraw/zinc/98/02/62/465980262.db2.gz AYQSMNDCVAMPGY-BBRMVZONSA-N 0 3 343.387 2.083 20 5 EEBDHN C[C@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274169 466049766 /nfs/dbraw/zinc/04/97/66/466049766.db2.gz SBOPVTPHKSNZCG-SJCJKPOMSA-N 0 3 335.379 2.392 20 5 EEBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000349379618 466090150 /nfs/dbraw/zinc/09/01/50/466090150.db2.gz CGTHMHKHLROFTH-WBMJQRKESA-N 0 3 330.388 2.198 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCc2ccccc2F)c1 ZINC000324483090 466647587 /nfs/dbraw/zinc/64/75/87/466647587.db2.gz JKBHYLDPHTXYKM-INIZCTEOSA-N 0 3 334.347 2.401 20 5 EEBDHN CO[C@@](C)([C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972120 466953537 /nfs/dbraw/zinc/95/35/37/466953537.db2.gz PLFGNOCSNKKPHH-SGTLLEGYSA-N 0 3 347.415 2.277 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412017589 466967971 /nfs/dbraw/zinc/96/79/71/466967971.db2.gz ADUNOOFDKDNEOX-NSHDSACASA-N 0 3 337.376 2.089 20 5 EEBDHN COc1ccc(OCCN2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377642064 467104182 /nfs/dbraw/zinc/10/41/82/467104182.db2.gz APXYNXBVGIJAGZ-QGZVFWFLSA-N 0 3 338.404 2.323 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378304617 467257183 /nfs/dbraw/zinc/25/71/83/467257183.db2.gz HOHPANWRPGEEIX-IRXDYDNUSA-N 0 3 339.395 2.351 20 5 EEBDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305126 467323585 /nfs/dbraw/zinc/32/35/85/467323585.db2.gz ZOISHQSQNSISOB-RISCZKNCSA-N 0 3 341.367 2.384 20 5 EEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)c(F)c1 ZINC000413898376 467338400 /nfs/dbraw/zinc/33/84/00/467338400.db2.gz GHVWAVVWDZEDFA-UHFFFAOYSA-N 0 3 336.323 2.255 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(F)c1 ZINC000413898376 467338404 /nfs/dbraw/zinc/33/84/04/467338404.db2.gz GHVWAVVWDZEDFA-UHFFFAOYSA-N 0 3 336.323 2.255 20 5 EEBDHN COCCN1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429892104 467378655 /nfs/dbraw/zinc/37/86/55/467378655.db2.gz NMZXYRKRXHNMIF-UHFFFAOYSA-N 0 3 349.431 2.099 20 5 EEBDHN COc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000400630934 467458370 /nfs/dbraw/zinc/45/83/70/467458370.db2.gz BUXJQDUIMKGENM-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN CC/C=C/CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971422 467522965 /nfs/dbraw/zinc/52/29/65/467522965.db2.gz ICGADPVZTJJCQX-SNAWJCMRSA-N 0 3 341.433 2.161 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CN(C)C ZINC000457203882 467776643 /nfs/dbraw/zinc/77/66/43/467776643.db2.gz IZVBQLSJNUCZKQ-JTQLQIEISA-N 0 3 343.811 2.472 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458751697 467891588 /nfs/dbraw/zinc/89/15/88/467891588.db2.gz GQWLHMMNNODYPP-ZFWWWQNUSA-N 0 3 334.420 2.434 20 5 EEBDHN Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)c2cc([N+](=O)[O-])ccc2n1 ZINC000450785639 467907793 /nfs/dbraw/zinc/90/77/93/467907793.db2.gz BJOHSWODPJZTHX-GASCZTMLSA-N 0 3 342.399 2.148 20 5 EEBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143988 467998645 /nfs/dbraw/zinc/99/86/45/467998645.db2.gz YVPVSJIOQHAPTM-DGCLKSJQSA-N 0 3 347.375 2.256 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488689622 468097404 /nfs/dbraw/zinc/09/74/04/468097404.db2.gz RFFIFUVNQCXLIW-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594199293 468510214 /nfs/dbraw/zinc/51/02/14/468510214.db2.gz JJWUDGSQWXHAPG-JKSUJKDBSA-N 0 3 333.388 2.107 20 5 EEBDHN CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592831801 468799173 /nfs/dbraw/zinc/79/91/73/468799173.db2.gz OYCLYUUWXKWAHX-AWEZNQCLSA-N 0 3 335.404 2.306 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000598265484 468811933 /nfs/dbraw/zinc/81/19/33/468811933.db2.gz TXMGLEXPAHZACP-LBPRGKRZSA-N 0 3 349.387 2.174 20 5 EEBDHN CN(CCN1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593113056 468875627 /nfs/dbraw/zinc/87/56/27/468875627.db2.gz WGWCAWHDHAYXQT-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791916 469012167 /nfs/dbraw/zinc/01/21/67/469012167.db2.gz YCZQMWSRFJDYJQ-DOTOQJQBSA-N 0 3 347.415 2.475 20 5 EEBDHN CCOC(=O)Cc1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596092422 469152422 /nfs/dbraw/zinc/15/24/22/469152422.db2.gz VNTKUSDKBDZJLS-ZDUSSCGKSA-N 0 3 333.388 2.349 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000589198259 469211047 /nfs/dbraw/zinc/21/10/47/469211047.db2.gz XKUUBECTZSYHQQ-MRXNPFEDSA-N 0 3 330.388 2.198 20 5 EEBDHN CCOc1ccc([C@H](C)NCCc2nncn2CC)cc1[N+](=O)[O-] ZINC000611335999 469230710 /nfs/dbraw/zinc/23/07/10/469230710.db2.gz HYPJFUICOTYSGT-LBPRGKRZSA-N 0 3 333.392 2.498 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602803573 490687231 /nfs/dbraw/zinc/68/72/31/490687231.db2.gz CTRDRHKFEWVYGF-BSNNYGBQSA-N 0 3 336.417 2.188 20 5 EEBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185594517 490693632 /nfs/dbraw/zinc/69/36/32/490693632.db2.gz TYVQHZNOWUIURI-XHDPSFHLSA-N 0 3 341.367 2.348 20 5 EEBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063651 535648889 /nfs/dbraw/zinc/64/88/89/535648889.db2.gz WJHNSPNSHIIXFG-SJORKVTESA-N 0 3 334.416 2.389 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc3c(c2)OCCO3)cc1 ZINC000731678772 577116043 /nfs/dbraw/zinc/11/60/43/577116043.db2.gz PIFXRJCJUBPPEA-OAHLLOKOSA-N 0 3 330.340 2.189 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000776590480 577463631 /nfs/dbraw/zinc/46/36/31/577463631.db2.gz GPNSQXNJSASFLF-ROUUACIJSA-N 0 3 328.368 2.052 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821599001 599061858 /nfs/dbraw/zinc/06/18/58/599061858.db2.gz BMSQCZNLHBOFNL-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821599001 599061861 /nfs/dbraw/zinc/06/18/61/599061861.db2.gz BMSQCZNLHBOFNL-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821599001 599061863 /nfs/dbraw/zinc/06/18/63/599061863.db2.gz BMSQCZNLHBOFNL-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821599001 599061866 /nfs/dbraw/zinc/06/18/66/599061866.db2.gz BMSQCZNLHBOFNL-CYBMUJFWSA-N 0 3 345.407 2.086 20 5 EEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC000983735402 683218401 /nfs/dbraw/zinc/21/84/01/683218401.db2.gz FOKPGGSVSDSDEB-MJHDQNEOSA-N 0 3 334.401 2.283 20 5 EEBDHN COCCN(CCN(C)C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000843791718 1188221389 /nfs/dbraw/zinc/22/13/89/1188221389.db2.gz SZZQHOLJBBRVJV-UHFFFAOYSA-N 0 3 343.811 2.207 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000810315568 1199448905 /nfs/dbraw/zinc/44/89/05/1199448905.db2.gz BVAGSSSEVOTAQF-CABCVRRESA-N 0 3 348.403 2.142 20 5 EEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000878147785 1200284914 /nfs/dbraw/zinc/28/49/14/1200284914.db2.gz BBINOSXSDQSZGJ-MRXNPFEDSA-N 0 3 332.404 2.464 20 5 EEBDHN O=C(Cc1c(F)cccc1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133054105 1200362764 /nfs/dbraw/zinc/36/27/64/1200362764.db2.gz BAGKIIXXNBRLOD-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801971536 1236566878 /nfs/dbraw/zinc/56/68/78/1236566878.db2.gz LENURUOLCQDBHR-CQSZACIVSA-N 0 3 338.383 2.166 20 5 EEBDHN CN(C)C1(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001057378864 1243514889 /nfs/dbraw/zinc/51/48/89/1243514889.db2.gz UGVVDTTZEGTMPU-UHFFFAOYSA-N 0 3 346.431 2.482 20 5 EEBDHN CCN(CC)CC(=O)NCCN(c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC001101350411 1245699227 /nfs/dbraw/zinc/69/92/27/1245699227.db2.gz LLMNPGWSPDVTDN-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CC(COC(=O)[C@]1(C)CC1(Br)Br)[N+](=O)[O-] ZINC000851036228 1277447847 /nfs/dbraw/zinc/44/78/47/1277447847.db2.gz GOMLOVOAFFJMOP-VDTYLAMSSA-N 0 3 344.987 2.091 20 5 EEBDHN COCCN1CC[C@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856729684 1293608372 /nfs/dbraw/zinc/60/83/72/1293608372.db2.gz PRTODAAHJOLANA-JTQLQIEISA-N 0 3 344.209 2.490 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001215773213 1296988416 /nfs/dbraw/zinc/98/84/16/1296988416.db2.gz CYLLPZLTPMFVTK-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC001111811063 1303924720 /nfs/dbraw/zinc/92/47/20/1303924720.db2.gz FKWJPKKTCQMYQX-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CN(CCCNC(=O)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001235044021 1305095759 /nfs/dbraw/zinc/09/57/59/1305095759.db2.gz QETVVEAXCOGROU-UHFFFAOYSA-N 0 3 333.310 2.485 20 5 EEBDHN O=C(COCc1ccccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150746700 1316361027 /nfs/dbraw/zinc/36/10/27/1316361027.db2.gz BTXRTGACXCMJRH-UHFFFAOYSA-N 0 3 343.383 2.017 20 5 EEBDHN Cc1cccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001154723408 1317281489 /nfs/dbraw/zinc/28/14/89/1317281489.db2.gz JKSXQXVDQSZIRA-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001254611323 1318144802 /nfs/dbraw/zinc/14/48/02/1318144802.db2.gz PNRHOCUYABTKQK-IRXDYDNUSA-N 0 3 340.383 2.395 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001157987114 1318960123 /nfs/dbraw/zinc/96/01/23/1318960123.db2.gz ONUHVEGTIOHZMZ-UHFFFAOYSA-N 0 3 333.360 2.298 20 5 EEBDHN Cc1cc(N2CC[C@@H]3NCCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165269853 1321487738 /nfs/dbraw/zinc/48/77/38/1321487738.db2.gz SRMFXTKUIQXZMJ-HOTGVXAUSA-N 0 3 328.372 2.019 20 5 EEBDHN O=[N+]([O-])c1c(N2CC(N[C@@H]3CCOC3)C2)cccc1C(F)(F)F ZINC001307217814 1331519243 /nfs/dbraw/zinc/51/92/43/1331519243.db2.gz UHKGBNCWBRJCOH-SECBINFHSA-N 0 3 331.294 2.181 20 5 EEBDHN CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+](C)C ZINC001609093097 1351840150 /nfs/dbraw/zinc/84/01/50/1351840150.db2.gz OZZYESOEHJUXQI-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+](C)C ZINC001609093097 1351840152 /nfs/dbraw/zinc/84/01/52/1351840152.db2.gz OZZYESOEHJUXQI-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CS[C@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609370229 1351949167 /nfs/dbraw/zinc/94/91/67/1351949167.db2.gz YOEOIQGZCJXWIR-ZDUSSCGKSA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609370229 1351949169 /nfs/dbraw/zinc/94/91/69/1351949169.db2.gz YOEOIQGZCJXWIR-ZDUSSCGKSA-N 0 3 348.432 2.492 20 5 EEBDHN COc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001345073903 1337423841 /nfs/dbraw/zinc/42/38/41/1337423841.db2.gz DENBDPPZISFMCJ-LLVKDONJSA-N 0 3 334.376 2.375 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897182 1350798202 /nfs/dbraw/zinc/79/82/02/1350798202.db2.gz CXNYTTGRYYUUCF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897182 1350798205 /nfs/dbraw/zinc/79/82/05/1350798205.db2.gz CXNYTTGRYYUUCF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897182 1350798207 /nfs/dbraw/zinc/79/82/07/1350798207.db2.gz CXNYTTGRYYUUCF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897182 1350798211 /nfs/dbraw/zinc/79/82/11/1350798211.db2.gz CXNYTTGRYYUUCF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722850 1351218000 /nfs/dbraw/zinc/21/80/00/1351218000.db2.gz COVCLEXSBKLKOC-TZMCWYRMSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722850 1351218003 /nfs/dbraw/zinc/21/80/03/1351218003.db2.gz COVCLEXSBKLKOC-TZMCWYRMSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722850 1351218008 /nfs/dbraw/zinc/21/80/08/1351218008.db2.gz COVCLEXSBKLKOC-TZMCWYRMSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722850 1351218012 /nfs/dbraw/zinc/21/80/12/1351218012.db2.gz COVCLEXSBKLKOC-TZMCWYRMSA-N 0 3 343.391 2.122 20 5 EEBDHN CCN(CC)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095357242 1369699351 /nfs/dbraw/zinc/69/93/51/1369699351.db2.gz HAULZJGHEPWXSL-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN CCc1oncc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167462404 759675832 /nfs/dbraw/zinc/67/58/32/759675832.db2.gz SBTPPPYGTDSHOL-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN O=C(NCC1CN(C/C=C/c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662751 770736108 /nfs/dbraw/zinc/73/61/08/770736108.db2.gz LAULWWLDQQUBLT-PKUCDIRRSA-N 0 3 349.818 2.066 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107203707 786393576 /nfs/dbraw/zinc/39/35/76/786393576.db2.gz ABOKYGFJSPXTSS-WAYWQWQTSA-N 0 3 338.383 2.160 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163863486 789037502 /nfs/dbraw/zinc/03/75/02/789037502.db2.gz FJQSUMCEXAJYLZ-LLVKDONJSA-N 0 3 347.412 2.051 20 5 EEBDHN CCN(CC)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089944231 795113792 /nfs/dbraw/zinc/11/37/92/795113792.db2.gz TVMNDMIEMJNKDN-UHFFFAOYSA-N 0 3 349.435 2.030 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110148761 795631356 /nfs/dbraw/zinc/63/13/56/795631356.db2.gz UVURLRPQMIAUGN-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN CCOCCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001127379581 796277716 /nfs/dbraw/zinc/27/77/16/796277716.db2.gz MVBYUBYUZSZFMW-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN CCN(CC)CC(=O)N(CC)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001106776176 796511097 /nfs/dbraw/zinc/51/10/97/796511097.db2.gz VMKRNQZBSMDIPC-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)/C=C\C1CC1 ZINC001178110401 799271577 /nfs/dbraw/zinc/27/15/77/799271577.db2.gz ZJXWXBJITDKEHK-HJWRWDBZSA-N 0 3 349.435 2.061 20 5 EEBDHN CCOC(CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OCC ZINC000786830393 806895039 /nfs/dbraw/zinc/89/50/39/806895039.db2.gz BNULCUYNOWOWNS-UHFFFAOYSA-N 0 3 340.376 2.245 20 5 EEBDHN CC[C@H](CN1CCOCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922589047 801416112 /nfs/dbraw/zinc/41/61/12/801416112.db2.gz GIKBXWQDWWYLQR-CQSZACIVSA-N 0 3 327.812 2.449 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001086289702 802680490 /nfs/dbraw/zinc/68/04/90/802680490.db2.gz FOTFQOLZCOUFEH-CTYIDZIISA-N 0 3 340.383 2.288 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC000791296018 809159456 /nfs/dbraw/zinc/15/94/56/809159456.db2.gz CDZSCVQBYDPNGG-MRXNPFEDSA-N 0 3 346.362 2.349 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccn2c1CCCC2 ZINC001129697111 810959747 /nfs/dbraw/zinc/95/97/47/810959747.db2.gz HKCKRDCLQDXNBJ-UHFFFAOYSA-N 0 3 342.399 2.252 20 5 EEBDHN Cn1cc(Cl)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131075647 812374050 /nfs/dbraw/zinc/37/40/50/812374050.db2.gz QLUIYSYEFRXRLU-UHFFFAOYSA-N 0 3 336.779 2.106 20 5 EEBDHN CC[C@@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993045 1120253115 /nfs/dbraw/zinc/25/31/15/1120253115.db2.gz GGRFRIKOZLVQBC-ZIAGYGMSSA-N 0 3 338.456 2.192 20 5 EEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780332 290580173 /nfs/dbraw/zinc/58/01/73/290580173.db2.gz CDUYXIZUTQCMHF-HUUCEWRRSA-N 0 3 335.404 2.386 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000189565923 237030349 /nfs/dbraw/zinc/03/03/49/237030349.db2.gz JNLBCPVNNKUWAS-DZGCQCFKSA-N 0 3 347.415 2.468 20 5 EEBDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000249097898 201180414 /nfs/dbraw/zinc/18/04/14/201180414.db2.gz IUZXVABBJSGHQK-JDSLSITLSA-N 0 3 335.404 2.305 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1N(C)C ZINC000421790008 240024452 /nfs/dbraw/zinc/02/44/52/240024452.db2.gz CFQIPGJVJFMSFY-GJZGRUSLSA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592682 243170066 /nfs/dbraw/zinc/17/00/66/243170066.db2.gz AFHMDVKOPCNKPG-KBXCAEBGSA-N 0 3 347.415 2.228 20 5 EEBDHN CNc1c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000452174626 243361679 /nfs/dbraw/zinc/36/16/79/243361679.db2.gz QOTBBFVVQNSCDB-LBPRGKRZSA-N 0 3 332.404 2.193 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCc2cnc(N3CCOCC3)s2)cc1 ZINC000105448144 204148024 /nfs/dbraw/zinc/14/80/24/204148024.db2.gz QQIQIUNBAJIWKZ-UHFFFAOYSA-N 0 3 348.428 2.220 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000133350551 205364876 /nfs/dbraw/zinc/36/48/76/205364876.db2.gz UCTYALKKZVGMRE-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN O=C(Nc1ccccc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157577378 206144828 /nfs/dbraw/zinc/14/48/28/206144828.db2.gz BVLNWHVYOIEBRJ-UHFFFAOYSA-N 0 3 343.387 2.142 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1Cc1ccccc1 ZINC000159708390 206259564 /nfs/dbraw/zinc/25/95/64/206259564.db2.gz HZJFBXFIPAKWOB-MRXNPFEDSA-N 0 3 327.384 2.464 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000266000231 248015952 /nfs/dbraw/zinc/01/59/52/248015952.db2.gz KVLDEXLNWWWMKQ-QGZVFWFLSA-N 0 3 330.388 2.237 20 5 EEBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273558336 256306957 /nfs/dbraw/zinc/30/69/57/256306957.db2.gz BFZBGMKTZGCTJU-HNNXBMFYSA-N 0 3 327.388 2.343 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000356577914 141020191 /nfs/dbraw/zinc/02/01/91/141020191.db2.gz LQQSIZWWJHOJCK-UHFFFAOYSA-N 0 3 348.447 2.085 20 5 EEBDHN Cc1c(NC(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000186525255 160073554 /nfs/dbraw/zinc/07/35/54/160073554.db2.gz CYNGFXYBPTXALP-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920301 161024189 /nfs/dbraw/zinc/02/41/89/161024189.db2.gz JDGSVBZQMSTILH-STQMWFEESA-N 0 3 326.418 2.379 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000343759007 161165192 /nfs/dbraw/zinc/16/51/92/161165192.db2.gz PWLFEABJPSAJAE-RISCZKNCSA-N 0 3 335.335 2.219 20 5 EEBDHN C[C@@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000346645055 161388359 /nfs/dbraw/zinc/38/83/59/161388359.db2.gz NTXZRTUGWDJIGP-LBPRGKRZSA-N 0 3 327.812 2.137 20 5 EEBDHN CN1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000352089991 162064903 /nfs/dbraw/zinc/06/49/03/162064903.db2.gz TXVIHPVDVWKJPC-BXUZGUMPSA-N 0 3 329.360 2.175 20 5 EEBDHN COc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000355306386 163138293 /nfs/dbraw/zinc/13/82/93/163138293.db2.gz FWMGBBLWQWLJRY-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000355306385 163139125 /nfs/dbraw/zinc/13/91/25/163139125.db2.gz FWMGBBLWQWLJRY-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1cccnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000355712615 163278459 /nfs/dbraw/zinc/27/84/59/163278459.db2.gz CTMJLZHPBWJMLJ-QGZVFWFLSA-N 0 3 328.372 2.039 20 5 EEBDHN COC(=O)COc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000355728690 163283353 /nfs/dbraw/zinc/28/33/53/163283353.db2.gz DSVMWGSXVOETLO-ZIAGYGMSSA-N 0 3 334.372 2.379 20 5 EEBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000355791521 163302669 /nfs/dbraw/zinc/30/26/69/163302669.db2.gz UENUUEAIQFAJFB-UHFFFAOYSA-N 0 3 343.449 2.334 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359996530 164211900 /nfs/dbraw/zinc/21/19/00/164211900.db2.gz XBRNXDGGCGBBBU-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN Cn1cc(C[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000370002616 166374001 /nfs/dbraw/zinc/37/40/01/166374001.db2.gz QWGHGGNXSABLTM-AWEZNQCLSA-N 0 3 330.388 2.272 20 5 EEBDHN CN1CCN(CC2(C)CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000375233552 167093640 /nfs/dbraw/zinc/09/36/40/167093640.db2.gz KRVVJKAPKPZCQU-UHFFFAOYSA-N 0 3 346.475 2.444 20 5 EEBDHN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000272643904 269002966 /nfs/dbraw/zinc/00/29/66/269002966.db2.gz CYKPRFZWVNBKNW-LBPRGKRZSA-N 0 3 342.399 2.385 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000281674403 269439774 /nfs/dbraw/zinc/43/97/74/269439774.db2.gz UEOBEAWRZDURRS-UKRRQHHQSA-N 0 3 347.415 2.271 20 5 EEBDHN COc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449503500 274094659 /nfs/dbraw/zinc/09/46/59/274094659.db2.gz IEKOEFSHRKFBTF-CXAGYDPISA-N 0 3 336.388 2.196 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000278086700 274330570 /nfs/dbraw/zinc/33/05/70/274330570.db2.gz XPSBRXYCGJFNPG-UHFFFAOYSA-N 0 3 347.415 2.278 20 5 EEBDHN Cc1c([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969921 274922824 /nfs/dbraw/zinc/92/28/24/274922824.db2.gz IJISQSBFAPIQRK-CHWSQXEVSA-N 0 3 326.418 2.379 20 5 EEBDHN CN1CC[C@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000292189479 275390789 /nfs/dbraw/zinc/39/07/89/275390789.db2.gz GANFGQVHWRDLAA-ZDUSSCGKSA-N 0 3 341.209 2.284 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293808027 293300204 /nfs/dbraw/zinc/30/02/04/293300204.db2.gz AMYCGIUQEUFKBY-KRWDZBQOSA-N 0 3 343.387 2.029 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C2)C1 ZINC000293982425 293343260 /nfs/dbraw/zinc/34/32/60/293343260.db2.gz VRLOYKYIJMKYLI-HNNXBMFYSA-N 0 3 325.315 2.041 20 5 EEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237934242 303402369 /nfs/dbraw/zinc/40/23/69/303402369.db2.gz KJXBOCUWYJQNKL-GXSJLCMTSA-N 0 3 347.824 2.044 20 5 EEBDHN CCCN1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332408876 312002835 /nfs/dbraw/zinc/00/28/35/312002835.db2.gz DZHFPOHYDXHJGO-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@@H]1OC ZINC000414177312 312979111 /nfs/dbraw/zinc/97/91/11/312979111.db2.gz FZXOLFWCEAAEQD-SCRDCRAPSA-N 0 3 326.418 2.469 20 5 EEBDHN CCS(=O)(=O)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414349823 313001886 /nfs/dbraw/zinc/00/18/86/313001886.db2.gz ZLDCUOOYYSNETB-OAHLLOKOSA-N 0 3 326.418 2.387 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420993363 314017736 /nfs/dbraw/zinc/01/77/36/314017736.db2.gz MAYZZZNWERNPLQ-KGLIPLIRSA-N 0 3 340.330 2.138 20 5 EEBDHN COC(=O)COc1ccc(CNCC2(SC)CC2)cc1[N+](=O)[O-] ZINC000433193425 314753008 /nfs/dbraw/zinc/75/30/08/314753008.db2.gz JXPXNJNMFJVTGY-UHFFFAOYSA-N 0 3 340.401 2.132 20 5 EEBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520985588 316887416 /nfs/dbraw/zinc/88/74/16/316887416.db2.gz QSFMJJUQMIIVDO-UHFFFAOYSA-N 0 3 348.378 2.276 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000541019771 318090851 /nfs/dbraw/zinc/09/08/51/318090851.db2.gz JYCZWTFRYBQINT-LBPRGKRZSA-N 0 3 344.293 2.133 20 5 EEBDHN CN(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC000541855234 318112111 /nfs/dbraw/zinc/11/21/11/318112111.db2.gz JOCPDIIEBRIGBT-UHFFFAOYSA-N 0 3 340.383 2.401 20 5 EEBDHN COc1cc(C)ccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575862165 320120137 /nfs/dbraw/zinc/12/01/37/320120137.db2.gz VVPRAVNSHKIOHQ-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N(C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000181094869 323339393 /nfs/dbraw/zinc/33/93/93/323339393.db2.gz SNDXMXQIGHRNJP-AWEZNQCLSA-N 0 3 345.403 2.449 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000581981720 324352946 /nfs/dbraw/zinc/35/29/46/324352946.db2.gz JQARKXPNZVNTPZ-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296231977 465123926 /nfs/dbraw/zinc/12/39/26/465123926.db2.gz WPSMFNGJZQVNHH-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN CCOCC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521228123 468298080 /nfs/dbraw/zinc/29/80/80/468298080.db2.gz LGMTXKJGHYWWIS-CYBMUJFWSA-N 0 3 336.310 2.491 20 5 EEBDHN CCOc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000061647022 462594776 /nfs/dbraw/zinc/59/47/76/462594776.db2.gz LPDIXUDXKJJAQN-UHFFFAOYSA-N 0 3 347.375 2.004 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000115433818 462713378 /nfs/dbraw/zinc/71/33/78/462713378.db2.gz VQWSUKNSOCBIQE-GFCCVEGCSA-N 0 3 330.388 2.490 20 5 EEBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000089924684 462743620 /nfs/dbraw/zinc/74/36/20/462743620.db2.gz PXOORJRZDOPEIZ-UHFFFAOYSA-N 0 3 335.404 2.041 20 5 EEBDHN CN(C)CCNC(=O)c1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000066816536 462933266 /nfs/dbraw/zinc/93/32/66/462933266.db2.gz RDBPZVSDNTZQOL-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CCCNC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050994017 463015250 /nfs/dbraw/zinc/01/52/50/463015250.db2.gz NPSRRYFOPJSTGK-CQSZACIVSA-N 0 3 335.404 2.212 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1C1CC1 ZINC000157731712 463163454 /nfs/dbraw/zinc/16/34/54/463163454.db2.gz ZUGYKMMTAJZOMB-NWDGAFQWSA-N 0 3 340.383 2.498 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000053514462 463170959 /nfs/dbraw/zinc/17/09/59/463170959.db2.gz QXBFLWUKSNCWLV-UHFFFAOYSA-N 0 3 334.420 2.389 20 5 EEBDHN CC(C)(CNc1ncc([N+](=O)[O-])c(N)n1)N1CCc2ccccc2C1 ZINC000079871871 463256853 /nfs/dbraw/zinc/25/68/53/463256853.db2.gz QUPAZDANTIWRJC-UHFFFAOYSA-N 0 3 342.403 2.216 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055405517 463316540 /nfs/dbraw/zinc/31/65/40/463316540.db2.gz VWHMCGQEHKWCBA-UONOGXRCSA-N 0 3 335.404 2.210 20 5 EEBDHN CCc1ccc([C@H]2CNCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000261611943 463800277 /nfs/dbraw/zinc/80/02/77/463800277.db2.gz CAUJAAZTMSQCET-MRXNPFEDSA-N 0 3 329.404 2.000 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277055251 463858015 /nfs/dbraw/zinc/85/80/15/463858015.db2.gz HJAXIRIOZHDIKF-GFCCVEGCSA-N 0 3 339.415 2.002 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(O)CCOCC3)o2)cc1 ZINC000171416710 463858720 /nfs/dbraw/zinc/85/87/20/463858720.db2.gz NANDNYKAIMBDER-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN C[C@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414403 463858896 /nfs/dbraw/zinc/85/88/96/463858896.db2.gz PAEGFSAQKTZRRW-WDEREUQCSA-N 0 3 335.360 2.430 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2c2ccccc2Cl)n1 ZINC000261881869 463887154 /nfs/dbraw/zinc/88/71/54/463887154.db2.gz YQRWQNUXZCMQLM-AWEZNQCLSA-N 0 3 335.795 2.091 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269319013 463951322 /nfs/dbraw/zinc/95/13/22/463951322.db2.gz AQZOLAWDHFOIAL-GFCCVEGCSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@@H]1CCSCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347142 464090900 /nfs/dbraw/zinc/09/09/00/464090900.db2.gz VFRRTVCWBHNIFE-CHWSQXEVSA-N 0 3 326.418 2.162 20 5 EEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000263677520 464149282 /nfs/dbraw/zinc/14/92/82/464149282.db2.gz HMRPPWDSFIJLOJ-HNNXBMFYSA-N 0 3 338.383 2.089 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292429707 464230843 /nfs/dbraw/zinc/23/08/43/464230843.db2.gz XDBINBNIKWFCKX-CYBMUJFWSA-N 0 3 346.431 2.265 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180591911 464343473 /nfs/dbraw/zinc/34/34/73/464343473.db2.gz ICLRQFBMNBSRIX-HNNXBMFYSA-N 0 3 328.372 2.210 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@H]12 ZINC000294359863 464477386 /nfs/dbraw/zinc/47/73/86/464477386.db2.gz GHKPSRADICQQTK-JKSUJKDBSA-N 0 3 345.399 2.301 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000294359840 464477618 /nfs/dbraw/zinc/47/76/18/464477618.db2.gz GHKPSRADICQQTK-CVEARBPZSA-N 0 3 345.399 2.301 20 5 EEBDHN CN(C(=O)CN[C@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181498902 464497197 /nfs/dbraw/zinc/49/71/97/464497197.db2.gz YJNKDPSOMNPIJF-QGZVFWFLSA-N 0 3 349.431 2.479 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189948904 464569746 /nfs/dbraw/zinc/56/97/46/464569746.db2.gz UGBYYCWVAREJDT-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN CCN1CCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499951 464634405 /nfs/dbraw/zinc/63/44/05/464634405.db2.gz GREISIWGNBMNAH-IAGOWNOFSA-N 0 3 343.431 2.492 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000591144267 468414955 /nfs/dbraw/zinc/41/49/55/468414955.db2.gz DPRMRHNQWCOHOP-IAGOWNOFSA-N 0 3 342.399 2.178 20 5 EEBDHN CCN(CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585590 464668910 /nfs/dbraw/zinc/66/89/10/464668910.db2.gz YXODWYZYGDDDNC-KRWDZBQOSA-N 0 3 343.431 2.492 20 5 EEBDHN CN(C)C(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000295152643 464723946 /nfs/dbraw/zinc/72/39/46/464723946.db2.gz NRTQDPOSGVRXOQ-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000286607379 464975209 /nfs/dbraw/zinc/97/52/09/464975209.db2.gz BRXAXLBOLZKBAP-UHFFFAOYSA-N 0 3 349.387 2.272 20 5 EEBDHN C[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095610 468437109 /nfs/dbraw/zinc/43/71/09/468437109.db2.gz FYNHFUQWCBUKTR-QWHCGFSZSA-N 0 3 326.418 2.394 20 5 EEBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298961556 465550956 /nfs/dbraw/zinc/55/09/56/465550956.db2.gz XLHIJSBIZNPHMG-UHFFFAOYSA-N 0 3 342.399 2.360 20 5 EEBDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CCN1C ZINC000337928596 465686947 /nfs/dbraw/zinc/68/69/47/465686947.db2.gz RBNFKMSUQNLKCU-HNNXBMFYSA-N 0 3 344.419 2.167 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000353194530 465707397 /nfs/dbraw/zinc/70/73/97/465707397.db2.gz PLTJAQDGJWPYFO-CQSZACIVSA-N 0 3 335.404 2.484 20 5 EEBDHN C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000338063024 465792538 /nfs/dbraw/zinc/79/25/38/465792538.db2.gz XBHXHCNGHPOKCN-AWEZNQCLSA-N 0 3 346.431 2.429 20 5 EEBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353560184 465978450 /nfs/dbraw/zinc/97/84/50/465978450.db2.gz NEUREOGINNVMKW-OAHLLOKOSA-N 0 3 329.404 2.035 20 5 EEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287603 465986439 /nfs/dbraw/zinc/98/64/39/465986439.db2.gz BRXGYOFJXQEQOX-RYUDHWBXSA-N 0 3 337.376 2.019 20 5 EEBDHN COC[C@@H](CC(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661913 466181012 /nfs/dbraw/zinc/18/10/12/466181012.db2.gz HASQRLAJGCVMDR-CYBMUJFWSA-N 0 3 344.433 2.019 20 5 EEBDHN Cc1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049627 466195095 /nfs/dbraw/zinc/19/50/95/466195095.db2.gz OCWZDUDPFRXXPW-IAGOWNOFSA-N 0 3 330.388 2.298 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000555538597 468481734 /nfs/dbraw/zinc/48/17/34/468481734.db2.gz YCTUZRMIWCSXSY-UHFFFAOYSA-N 0 3 331.416 2.472 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000353994189 466309044 /nfs/dbraw/zinc/30/90/44/466309044.db2.gz DWTCQYQORRFXLZ-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@H]1CN2CCCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054212 466364830 /nfs/dbraw/zinc/36/48/30/466364830.db2.gz VDWQUEVSBLSTPE-YOEHRIQHSA-N 0 3 346.431 2.482 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332336412 466513905 /nfs/dbraw/zinc/51/39/05/466513905.db2.gz MEQGTUUUIVHLBS-MNOVXSKESA-N 0 3 344.371 2.061 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347420818 466624934 /nfs/dbraw/zinc/62/49/34/466624934.db2.gz DCOREOLSGAQIOC-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN CS(=O)(=O)c1ccc(N[C@@H]2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000322638535 466634557 /nfs/dbraw/zinc/63/45/57/466634557.db2.gz XGQMTOOVGOHBGA-VXGBXAGGSA-N 0 3 339.417 2.037 20 5 EEBDHN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)CN1CCCC1 ZINC000416111484 466722975 /nfs/dbraw/zinc/72/29/75/466722975.db2.gz VRDXXOTXAFLUGB-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN Cc1c([C@H]2OCC[C@@H]2NCCOc2ccccc2[N+](=O)[O-])cnn1C ZINC000431973234 467206853 /nfs/dbraw/zinc/20/68/53/467206853.db2.gz PFEQGBUKWGJPLL-WMLDXEAASA-N 0 3 346.387 2.135 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433064104 467287713 /nfs/dbraw/zinc/28/77/13/467287713.db2.gz VUPYVDZRGCSUPW-WBVHZDCISA-N 0 3 330.388 2.032 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436405229 467534762 /nfs/dbraw/zinc/53/47/62/467534762.db2.gz PCTOCLLVVSZKGN-SNVBAGLBSA-N 0 3 348.325 2.166 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000449320011 467630523 /nfs/dbraw/zinc/63/05/23/467630523.db2.gz HUIFZXQKAFDMOG-VXGBXAGGSA-N 0 3 326.418 2.081 20 5 EEBDHN COC(=O)COc1ccc(CNC2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000449375495 467634309 /nfs/dbraw/zinc/63/43/09/467634309.db2.gz HNMYNMNATSTOHE-UHFFFAOYSA-N 0 3 326.324 2.127 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966261 468060756 /nfs/dbraw/zinc/06/07/56/468060756.db2.gz LSBNASPOHIQXQR-VEVIJQCQSA-N 0 3 344.367 2.446 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000590456375 468261269 /nfs/dbraw/zinc/26/12/69/468261269.db2.gz ARHIMNAOQVLYJG-QGZVFWFLSA-N 0 3 328.372 2.244 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594199291 468510526 /nfs/dbraw/zinc/51/05/26/468510526.db2.gz JJWUDGSQWXHAPG-HZPDHXFCSA-N 0 3 333.388 2.107 20 5 EEBDHN CNC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594596942 468630779 /nfs/dbraw/zinc/63/07/79/468630779.db2.gz BJSOGHUFGDXHPP-DZGCQCFKSA-N 0 3 332.404 2.383 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000602767904 469060205 /nfs/dbraw/zinc/06/02/05/469060205.db2.gz LEQOISAJLGXNLK-IYBDPMFKSA-N 0 3 341.415 2.168 20 5 EEBDHN CCCN1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783754 469066664 /nfs/dbraw/zinc/06/66/64/469066664.db2.gz BXQNLDBULGVFFD-AWEZNQCLSA-N 0 3 335.404 2.330 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCC(C)CC2)CC1 ZINC000602780834 469069951 /nfs/dbraw/zinc/06/99/51/469069951.db2.gz LTSWOMHFXMKVHY-UHFFFAOYSA-N 0 3 335.452 2.296 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000599085326 469111553 /nfs/dbraw/zinc/11/15/53/469111553.db2.gz POYRLVXEZBOXGG-RTBURBONSA-N 0 3 341.411 2.340 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611092017 469160809 /nfs/dbraw/zinc/16/08/09/469160809.db2.gz GQJGIJIUZRPLFS-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN COc1cc(CNCC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520809 469271543 /nfs/dbraw/zinc/27/15/43/469271543.db2.gz HVLVGQVPEBYSDV-UHFFFAOYSA-N 0 3 346.330 2.109 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424466 469391051 /nfs/dbraw/zinc/39/10/51/469391051.db2.gz XHXWQKCHMXBPJJ-INIZCTEOSA-N 0 3 348.447 2.112 20 5 EEBDHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388427 469700946 /nfs/dbraw/zinc/70/09/46/469700946.db2.gz ABVDEMWEDBKVNH-CZUORRHYSA-N 0 3 343.383 2.288 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCCC2)C1 ZINC000609347926 469921700 /nfs/dbraw/zinc/92/17/00/469921700.db2.gz GMDZCGKAXMDZBS-ZDUSSCGKSA-N 0 3 343.387 2.172 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000610209670 469988409 /nfs/dbraw/zinc/98/84/09/469988409.db2.gz WNXASGLVSAMPCX-FZMZJTMJSA-N 0 3 332.404 2.382 20 5 EEBDHN NCc1cccc2c1N(C(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000602540361 485643178 /nfs/dbraw/zinc/64/31/78/485643178.db2.gz MMSSVHRUHNONQO-UHFFFAOYSA-N 0 3 341.367 2.412 20 5 EEBDHN CNc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560759892 517979418 /nfs/dbraw/zinc/97/94/18/517979418.db2.gz ICSSSTSPLSJDIO-JSGCOSHPSA-N 0 3 332.404 2.335 20 5 EEBDHN CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000183754356 529295602 /nfs/dbraw/zinc/29/56/02/529295602.db2.gz LRIJTTRNBDBDEM-KRWDZBQOSA-N 0 3 343.431 2.388 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccco1 ZINC000764772881 577488233 /nfs/dbraw/zinc/48/82/33/577488233.db2.gz LTWBGHHCDZSUIN-RISCZKNCSA-N 0 3 333.344 2.228 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccco1 ZINC000764772880 577488246 /nfs/dbraw/zinc/48/82/46/577488246.db2.gz LTWBGHHCDZSUIN-FZMZJTMJSA-N 0 3 333.344 2.228 20 5 EEBDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000754381069 577805333 /nfs/dbraw/zinc/80/53/33/577805333.db2.gz HZNAXXVIRIWGOK-LBPRGKRZSA-N 0 3 329.784 2.447 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1COC(C)(C)OC1 ZINC000757698400 577862693 /nfs/dbraw/zinc/86/26/93/577862693.db2.gz QRBKNBNSAPIQMW-LLVKDONJSA-N 0 3 337.376 2.053 20 5 EEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCN1C ZINC000742413111 577872642 /nfs/dbraw/zinc/87/26/42/577872642.db2.gz ZWCHZQZIYAXUEH-WCQYABFASA-N 0 3 332.404 2.382 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568857 578211978 /nfs/dbraw/zinc/21/19/78/578211978.db2.gz DCIWFDSKGAJLBS-WCQYABFASA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568857 578211979 /nfs/dbraw/zinc/21/19/79/578211979.db2.gz DCIWFDSKGAJLBS-WCQYABFASA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568857 578211980 /nfs/dbraw/zinc/21/19/80/578211980.db2.gz DCIWFDSKGAJLBS-WCQYABFASA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568857 578211981 /nfs/dbraw/zinc/21/19/81/578211981.db2.gz DCIWFDSKGAJLBS-WCQYABFASA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000736568402 578212126 /nfs/dbraw/zinc/21/21/26/578212126.db2.gz BJUASWCYINPYKE-RYUDHWBXSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000736568402 578212127 /nfs/dbraw/zinc/21/21/27/578212127.db2.gz BJUASWCYINPYKE-RYUDHWBXSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000736568402 578212128 /nfs/dbraw/zinc/21/21/28/578212128.db2.gz BJUASWCYINPYKE-RYUDHWBXSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000736568402 578212129 /nfs/dbraw/zinc/21/21/29/578212129.db2.gz BJUASWCYINPYKE-RYUDHWBXSA-N 0 3 345.407 2.084 20 5 EEBDHN C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C1CC1 ZINC000892302857 678660866 /nfs/dbraw/zinc/66/08/66/678660866.db2.gz CQXPSOKZOAONPH-NSHDSACASA-N 0 3 330.388 2.341 20 5 EEBDHN CN(CCN1CCCCC1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894356165 682616786 /nfs/dbraw/zinc/61/67/86/682616786.db2.gz DNJIYFHULGXIGK-UHFFFAOYSA-N 0 3 344.415 2.369 20 5 EEBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1cccc(C)c1 ZINC000893047253 683644774 /nfs/dbraw/zinc/64/47/74/683644774.db2.gz LAZJEURYNYPJKG-IVMMDQJWSA-N 0 3 334.372 2.113 20 5 EEBDHN CC(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000893047874 683645490 /nfs/dbraw/zinc/64/54/90/683645490.db2.gz RGZBNDIUOVMSPF-NEPJUHHUSA-N 0 3 332.397 2.476 20 5 EEBDHN CN(C)Cc1ccc(-c2noc(-c3cnc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000904624278 694432872 /nfs/dbraw/zinc/43/28/72/694432872.db2.gz LPGSOIHALVZQAG-UHFFFAOYSA-N 0 3 340.343 2.351 20 5 EEBDHN CN(CCCNC(=O)CN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001095738469 1208450549 /nfs/dbraw/zinc/45/05/49/1208450549.db2.gz OANTVARPAQVKBQ-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000246013733 1212009571 /nfs/dbraw/zinc/00/95/71/1212009571.db2.gz ZWTYODDPOMMNMF-KRWDZBQOSA-N 0 3 331.420 2.482 20 5 EEBDHN C/C=C(\C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048754756 1238527623 /nfs/dbraw/zinc/52/76/23/1238527623.db2.gz UCFFUHFBPUYVPX-NVAVRXRDSA-N 0 3 329.400 2.451 20 5 EEBDHN Cc1ccc(F)c(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001000673457 1240706412 /nfs/dbraw/zinc/70/64/12/1240706412.db2.gz FONVLMBTKLOUEG-NVXWUHKLSA-N 0 3 347.390 2.048 20 5 EEBDHN CC(C)N(C)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101352491 1245701506 /nfs/dbraw/zinc/70/15/06/1245701506.db2.gz CXJGUQIXMGAEKT-UHFFFAOYSA-N 0 3 334.420 2.020 20 5 EEBDHN CCCN(C)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101370367 1245727714 /nfs/dbraw/zinc/72/77/14/1245727714.db2.gz VQWKOEYVDUKYCX-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000861037595 1295227982 /nfs/dbraw/zinc/22/79/82/1295227982.db2.gz BPARUNISLIHNDW-AWEZNQCLSA-N 0 3 336.388 2.479 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CN4C[C@H]3NCC4)c2)c1 ZINC001218110510 1297577444 /nfs/dbraw/zinc/57/74/44/1297577444.db2.gz HSXMYXXPXRJBGW-QZTJIDSGSA-N 0 3 325.368 2.297 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])cc3)C[C@H]1N2C ZINC001222791381 1299862915 /nfs/dbraw/zinc/86/29/15/1299862915.db2.gz PVBYFKYZUUETHQ-MWDXBVQZSA-N 0 3 334.372 2.278 20 5 EEBDHN CN(CCCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001234560823 1304967896 /nfs/dbraw/zinc/96/78/96/1304967896.db2.gz RYHFENWXCNFXPM-UHFFFAOYSA-N 0 3 334.401 2.303 20 5 EEBDHN CCc1nc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001152296354 1316654877 /nfs/dbraw/zinc/65/48/77/1316654877.db2.gz GWKSBXSHVHIYKM-UHFFFAOYSA-N 0 3 348.428 2.062 20 5 EEBDHN COc1ccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)nc1 ZINC001249342550 1317056516 /nfs/dbraw/zinc/05/65/16/1317056516.db2.gz OBLRQGQKLAPTBA-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN Cc1nc(C)c(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)o1 ZINC001156125148 1317887887 /nfs/dbraw/zinc/88/78/87/1317887887.db2.gz IUYFXPJGEOKEMP-UHFFFAOYSA-N 0 3 338.389 2.171 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001156419272 1318002191 /nfs/dbraw/zinc/00/21/91/1318002191.db2.gz UUXDDNFDOQNMCQ-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccnc(OCC3CC3)n1)C2 ZINC001254587642 1318135261 /nfs/dbraw/zinc/13/52/61/1318135261.db2.gz RVDHIRFLQCLYGE-MRXNPFEDSA-N 0 3 340.383 2.431 20 5 EEBDHN COc1cc(C)nc(-n2nc(-c3ccncc3)cc2CN)c1[N+](=O)[O-] ZINC001160338984 1320138603 /nfs/dbraw/zinc/13/86/03/1320138603.db2.gz QUMLFNLURYHMTC-UHFFFAOYSA-N 0 3 340.343 2.013 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162760316 1320952417 /nfs/dbraw/zinc/95/24/17/1320952417.db2.gz YQTKULYPXSEOCM-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN COCCCN1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165097164 1321454628 /nfs/dbraw/zinc/45/46/28/1321454628.db2.gz GLJMAPVOZSTOLI-UHFFFAOYSA-N 0 3 330.388 2.302 20 5 EEBDHN Cc1nn(CCO)c(C)c1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC001325697649 1333942388 /nfs/dbraw/zinc/94/23/88/1333942388.db2.gz QAIYIFLPCYLVAD-UHFFFAOYSA-N 0 3 332.404 2.075 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000088138879 1356757097 /nfs/dbraw/zinc/75/70/97/1356757097.db2.gz MLMXAXJNNKFFGK-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876081 1349053374 /nfs/dbraw/zinc/05/33/74/1349053374.db2.gz NRFTWPXCDZINRY-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876081 1349053379 /nfs/dbraw/zinc/05/33/79/1349053379.db2.gz NRFTWPXCDZINRY-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258911 1349234743 /nfs/dbraw/zinc/23/47/43/1349234743.db2.gz FOYNSIOUNSAPLF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590258911 1349234748 /nfs/dbraw/zinc/23/47/48/1349234748.db2.gz FOYNSIOUNSAPLF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258911 1349234753 /nfs/dbraw/zinc/23/47/53/1349234753.db2.gz FOYNSIOUNSAPLF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590258911 1349234755 /nfs/dbraw/zinc/23/47/55/1349234755.db2.gz FOYNSIOUNSAPLF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591065369 1349437108 /nfs/dbraw/zinc/43/71/08/1349437108.db2.gz MJJSBDRAYFAANX-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591065369 1349437111 /nfs/dbraw/zinc/43/71/11/1349437111.db2.gz MJJSBDRAYFAANX-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591065369 1349437113 /nfs/dbraw/zinc/43/71/13/1349437113.db2.gz MJJSBDRAYFAANX-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591065369 1349437114 /nfs/dbraw/zinc/43/71/14/1349437114.db2.gz MJJSBDRAYFAANX-LBPRGKRZSA-N 0 3 345.407 2.086 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC001593478579 1349811489 /nfs/dbraw/zinc/81/14/89/1349811489.db2.gz WENHOTBNSBJJCC-CABCVRRESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC001593478579 1349811493 /nfs/dbraw/zinc/81/14/93/1349811493.db2.gz WENHOTBNSBJJCC-CABCVRRESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC001593478579 1349811495 /nfs/dbraw/zinc/81/14/95/1349811495.db2.gz WENHOTBNSBJJCC-CABCVRRESA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC001593478579 1349811501 /nfs/dbraw/zinc/81/15/01/1349811501.db2.gz WENHOTBNSBJJCC-CABCVRRESA-N 0 3 343.391 2.204 20 5 EEBDHN Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733090 1351219577 /nfs/dbraw/zinc/21/95/77/1351219577.db2.gz ZVFMYJCJZNQILD-LBPRGKRZSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733090 1351219579 /nfs/dbraw/zinc/21/95/79/1351219579.db2.gz ZVFMYJCJZNQILD-LBPRGKRZSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733090 1351219582 /nfs/dbraw/zinc/21/95/82/1351219582.db2.gz ZVFMYJCJZNQILD-LBPRGKRZSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733090 1351219585 /nfs/dbraw/zinc/21/95/85/1351219585.db2.gz ZVFMYJCJZNQILD-LBPRGKRZSA-N 0 3 345.407 2.226 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001115144962 1371529798 /nfs/dbraw/zinc/52/97/98/1371529798.db2.gz VYHJBSIVCRTYJG-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351979 1373140446 /nfs/dbraw/zinc/14/04/46/1373140446.db2.gz IWGAJQOSAYFBMG-KBPBESRZSA-N 0 3 332.404 2.232 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104395736 760127245 /nfs/dbraw/zinc/12/72/45/760127245.db2.gz AQHAJUOTIMEFKE-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100646103 761129840 /nfs/dbraw/zinc/12/98/40/761129840.db2.gz JSVIEUWVSCHETG-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877384 780267071 /nfs/dbraw/zinc/26/70/71/780267071.db2.gz VZDHBLJZGHRMKO-HZPDHXFCSA-N 0 3 332.404 2.015 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(N3CCCC3)nc2)c1 ZINC000818947918 785337569 /nfs/dbraw/zinc/33/75/69/785337569.db2.gz UMZSWVDRFUDQAS-QGZVFWFLSA-N 0 3 342.399 2.413 20 5 EEBDHN CC([C@H](OC(=O)CCc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845876618 789971960 /nfs/dbraw/zinc/97/19/60/789971960.db2.gz PQCZVAAOTBIREF-BZNIZROVSA-N 0 3 335.335 2.442 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C(C)(C)N1CCCCC1 ZINC001093889304 795767871 /nfs/dbraw/zinc/76/78/71/795767871.db2.gz YSFHCZAZFXHHFY-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N[C@@H]3COC[C@@H]3F)CC2)c(F)c1 ZINC001173014134 797196954 /nfs/dbraw/zinc/19/69/54/797196954.db2.gz LPALOHNTDMLLKS-UONOGXRCSA-N 0 3 345.321 2.168 20 5 EEBDHN COCCC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177692077 799084301 /nfs/dbraw/zinc/08/43/01/799084301.db2.gz SDBZTQNGSWEDKM-UHFFFAOYSA-N 0 3 343.449 2.459 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170335656 809899176 /nfs/dbraw/zinc/89/91/76/809899176.db2.gz PYCSCNVVYZRCPP-CYBMUJFWSA-N 0 3 336.388 2.373 20 5 EEBDHN CCc1cnccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130608186 811839290 /nfs/dbraw/zinc/83/92/90/811839290.db2.gz WVYSLIHPWCCCFP-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cn1nccc1N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000447091236 242245589 /nfs/dbraw/zinc/24/55/89/242245589.db2.gz PQHLFLFBIWTIGN-CYBMUJFWSA-N 0 3 333.367 2.226 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451498302 243134410 /nfs/dbraw/zinc/13/44/10/243134410.db2.gz XFOHPLKPLDCWNZ-XKQJLSEDSA-N 0 3 345.399 2.389 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129629264 205205046 /nfs/dbraw/zinc/20/50/46/205205046.db2.gz UUODPLMJUMRIJI-VIFPVBQESA-N 0 3 331.294 2.295 20 5 EEBDHN Cc1[nH+]ccn1CCCCNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000129857675 205213037 /nfs/dbraw/zinc/21/30/37/205213037.db2.gz IJXZHGDFQBVTLI-UHFFFAOYSA-N 0 3 342.359 2.186 20 5 EEBDHN CCCCNC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000132800936 205343069 /nfs/dbraw/zinc/34/30/69/205343069.db2.gz KWQBQACYPYDYHW-UHFFFAOYSA-N 0 3 337.424 2.000 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157031179 206112887 /nfs/dbraw/zinc/11/28/87/206112887.db2.gz YQSUSAQGHMBYIF-IAQYHMDHSA-N 0 3 343.387 2.027 20 5 EEBDHN Cc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450729 246955002 /nfs/dbraw/zinc/95/50/02/246955002.db2.gz KVYDIGPNBWOLBQ-GJZGRUSLSA-N 0 3 345.403 2.072 20 5 EEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C)C1 ZINC000153748146 224151756 /nfs/dbraw/zinc/15/17/56/224151756.db2.gz IPPPFSSAHWCULO-ZDUSSCGKSA-N 0 3 325.796 2.343 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1Cc1ccccc1 ZINC000268126610 256115970 /nfs/dbraw/zinc/11/59/70/256115970.db2.gz DABPIYCOYSCYAO-GXTWGEPZSA-N 0 3 328.372 2.316 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270532416 256145299 /nfs/dbraw/zinc/14/52/99/256145299.db2.gz OOFJZUACTQIVCG-HNNXBMFYSA-N 0 3 334.420 2.121 20 5 EEBDHN C[C@@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@@H]1C1CC1 ZINC000273071101 256262906 /nfs/dbraw/zinc/26/29/06/256262906.db2.gz OJLDAUVQKXUVNN-QZTJIDSGSA-N 0 3 345.399 2.031 20 5 EEBDHN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000273161023 256271356 /nfs/dbraw/zinc/27/13/56/256271356.db2.gz ZFLHYSCAHGLTOO-SECBINFHSA-N 0 3 331.825 2.407 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000089899058 292213795 /nfs/dbraw/zinc/21/37/95/292213795.db2.gz BNQQXJRSLUPWEL-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374322447 154050396 /nfs/dbraw/zinc/05/03/96/154050396.db2.gz DARUNCYQFVLKEX-NVXWUHKLSA-N 0 3 332.448 2.053 20 5 EEBDHN O=[N+]([O-])c1ccccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000071887009 159037468 /nfs/dbraw/zinc/03/74/68/159037468.db2.gz RGDJGXKPUBEDQP-MRXNPFEDSA-N 0 3 327.384 2.426 20 5 EEBDHN Cn1c2ccc(CNCCc3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000352634226 162221759 /nfs/dbraw/zinc/22/17/59/162221759.db2.gz XTHJOUZIJHCLCH-UHFFFAOYSA-N 0 3 327.340 2.372 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354371324 162845671 /nfs/dbraw/zinc/84/56/71/162845671.db2.gz HAVSOWRUJPSKAW-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272674315 269006457 /nfs/dbraw/zinc/00/64/57/269006457.db2.gz UKDWBHQHQZZZDM-IAQYHMDHSA-N 0 3 337.807 2.343 20 5 EEBDHN COCCOCCOCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000274421260 269033003 /nfs/dbraw/zinc/03/30/03/269033003.db2.gz QLZVCEXYDMARTP-UHFFFAOYSA-N 0 3 346.811 2.408 20 5 EEBDHN C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1[C@H](C)CC[C@H]1C ZINC000277551100 269161407 /nfs/dbraw/zinc/16/14/07/269161407.db2.gz CFIDYBOERULLKJ-UTUOFQBUSA-N 0 3 345.403 2.349 20 5 EEBDHN CC(C)c1ccc([C@H](N)CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000415381755 273563779 /nfs/dbraw/zinc/56/37/79/273563779.db2.gz JCMBCVJTDGRSRQ-CQSZACIVSA-N 0 3 343.387 2.357 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246174432 274118949 /nfs/dbraw/zinc/11/89/49/274118949.db2.gz BLVCZGCBHZUDFQ-SWLSCSKDSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000274508226 274201564 /nfs/dbraw/zinc/20/15/64/274201564.db2.gz UAJTYYGMPZCMDP-LLVKDONJSA-N 0 3 327.816 2.081 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275101923 274222903 /nfs/dbraw/zinc/22/29/03/274222903.db2.gz KDCHDDFJYKLNAP-NWDGAFQWSA-N 0 3 341.458 2.308 20 5 EEBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262708434 274420783 /nfs/dbraw/zinc/42/07/83/274420783.db2.gz CACGHDKVSPBCMD-IUCAKERBSA-N 0 3 342.193 2.180 20 5 EEBDHN CCOC(=O)c1ccnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286509096 274879192 /nfs/dbraw/zinc/87/91/92/274879192.db2.gz YVWCFVYTPZODTQ-QWHCGFSZSA-N 0 3 348.403 2.230 20 5 EEBDHN C[C@@H]1CCCN(C(C)(C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290532909 275215830 /nfs/dbraw/zinc/21/58/30/275215830.db2.gz HOAXVULSQNWICO-LLVKDONJSA-N 0 3 335.408 2.011 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291383083 275300016 /nfs/dbraw/zinc/30/00/16/275300016.db2.gz AWJUJKKXNBSWET-SFHVURJKSA-N 0 3 344.415 2.109 20 5 EEBDHN C[C@@H](c1ccccc1)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214384 275395061 /nfs/dbraw/zinc/39/50/61/275395061.db2.gz ONYYLDOTLRPGRD-GUYCJALGSA-N 0 3 343.383 2.221 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292223333 275396774 /nfs/dbraw/zinc/39/67/74/275396774.db2.gz BXDPYXXEJIXKNN-AWEZNQCLSA-N 0 3 331.416 2.470 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000352805655 277175121 /nfs/dbraw/zinc/17/51/21/277175121.db2.gz PVXSFIKBNCZBFW-NHYWBVRUSA-N 0 3 328.372 2.242 20 5 EEBDHN CCc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270606221 281399199 /nfs/dbraw/zinc/39/91/99/281399199.db2.gz DSCUSRRNDDDALE-HUUCEWRRSA-N 0 3 337.445 2.275 20 5 EEBDHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293221575 293155029 /nfs/dbraw/zinc/15/50/29/293155029.db2.gz XYJBBRZODVIQBB-INIZCTEOSA-N 0 3 335.404 2.310 20 5 EEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000293234089 293157969 /nfs/dbraw/zinc/15/79/69/293157969.db2.gz HIRKKMSLKNNDDP-ROUUACIJSA-N 0 3 330.384 2.164 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296859365 294085710 /nfs/dbraw/zinc/08/57/10/294085710.db2.gz YTFVPIQNCWFKEO-KBPBESRZSA-N 0 3 346.431 2.338 20 5 EEBDHN COC(=O)Cc1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448671 294247005 /nfs/dbraw/zinc/24/70/05/294247005.db2.gz JFPQONIUENUFNQ-AAEUAGOBSA-N 0 3 333.388 2.347 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CCC(O)CC1)CCCC2 ZINC000417326972 313486315 /nfs/dbraw/zinc/48/63/15/313486315.db2.gz DIFPEFSMDOMFTJ-SFHVURJKSA-N 0 3 333.432 2.409 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CSC[C@@H]1C ZINC000507272162 316376736 /nfs/dbraw/zinc/37/67/36/316376736.db2.gz KEMZERREXPUCKE-OUJBWJOFSA-N 0 3 339.417 2.272 20 5 EEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417288 318187449 /nfs/dbraw/zinc/18/74/49/318187449.db2.gz SCBSHYVVKBQTJU-FZMZJTMJSA-N 0 3 339.392 2.191 20 5 EEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccccc1)N(C)C ZINC000546024362 318241314 /nfs/dbraw/zinc/24/13/14/318241314.db2.gz RTSOKCFHEGODAU-BLLLJJGKSA-N 0 3 330.388 2.355 20 5 EEBDHN Cc1cc(NC(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000546035960 318242294 /nfs/dbraw/zinc/24/22/94/318242294.db2.gz BGAQVNHIGTVQPV-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN Cc1cccc(OC[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562993867 318954654 /nfs/dbraw/zinc/95/46/54/318954654.db2.gz QGGBLAYEBYHKPW-MRXNPFEDSA-N 0 3 346.383 2.312 20 5 EEBDHN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)CN1CCCC1 ZINC000574296600 320013965 /nfs/dbraw/zinc/01/39/65/320013965.db2.gz NIMHRWRRLGHRFW-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000575186010 320094454 /nfs/dbraw/zinc/09/44/54/320094454.db2.gz QXEJEXVJDDOKMS-SFHVURJKSA-N 0 3 342.399 2.328 20 5 EEBDHN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182250817 323370125 /nfs/dbraw/zinc/37/01/25/323370125.db2.gz YXSBJBGXJPHSAV-DOMZBBRYSA-N 0 3 337.376 2.089 20 5 EEBDHN CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000182355886 323373454 /nfs/dbraw/zinc/37/34/54/323373454.db2.gz ZXJFEUCVONEMRS-ARFHVFGLSA-N 0 3 333.388 2.247 20 5 EEBDHN CCO[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247647 465128225 /nfs/dbraw/zinc/12/82/25/465128225.db2.gz NRQHPHCRBNPLAP-LSDHHAIUSA-N 0 3 333.388 2.131 20 5 EEBDHN CCC[C@@H](N[C@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315059 465153421 /nfs/dbraw/zinc/15/34/21/465153421.db2.gz GOTMFTHMXBLGHX-UKRRQHHQSA-N 0 3 343.449 2.353 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337326126 465306381 /nfs/dbraw/zinc/30/63/81/465306381.db2.gz VWAZSGOJAXGXDI-KGLIPLIRSA-N 0 3 334.420 2.338 20 5 EEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000060793421 462565603 /nfs/dbraw/zinc/56/56/03/462565603.db2.gz WQRWMECHBWDBFM-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089603039 462697511 /nfs/dbraw/zinc/69/75/11/462697511.db2.gz YKYHOOLJQZEUEP-MRXNPFEDSA-N 0 3 335.404 2.406 20 5 EEBDHN Cc1cnc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643967 462703445 /nfs/dbraw/zinc/70/34/45/462703445.db2.gz MRLXZWXGTSTNHQ-JKSUJKDBSA-N 0 3 342.399 2.346 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000089644899 462703466 /nfs/dbraw/zinc/70/34/66/462703466.db2.gz FBHKGVVKJBOIKA-HZPDHXFCSA-N 0 3 328.372 2.037 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@]2(CCOC2)C1 ZINC000154066386 462725847 /nfs/dbraw/zinc/72/58/47/462725847.db2.gz JNTDQPWFLXGMKR-KRWDZBQOSA-N 0 3 347.371 2.005 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000066923785 462947271 /nfs/dbraw/zinc/94/72/71/462947271.db2.gz NZHXJXSQNFDWAD-SNVBAGLBSA-N 0 3 341.795 2.226 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120713401 463030406 /nfs/dbraw/zinc/03/04/06/463030406.db2.gz QOOBWNXEYXAVEB-SECBINFHSA-N 0 3 342.193 2.039 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121013621 463066580 /nfs/dbraw/zinc/06/65/80/463066580.db2.gz UQDIYSVGAHLAQB-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000053348805 463153495 /nfs/dbraw/zinc/15/34/95/463153495.db2.gz QQHITPGUXXQNSA-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN Nc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000079799103 463249725 /nfs/dbraw/zinc/24/97/25/463249725.db2.gz CSQULKBDEWCNTM-UHFFFAOYSA-N 0 3 328.376 2.044 20 5 EEBDHN CCCN(CC)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000122840764 463295501 /nfs/dbraw/zinc/29/55/01/463295501.db2.gz KFJHKWFKIUWIKU-UHFFFAOYSA-N 0 3 329.422 2.142 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@@H]1C ZINC000351891655 465422293 /nfs/dbraw/zinc/42/22/93/465422293.db2.gz YHXUCSXJSCSBHT-RYUDHWBXSA-N 0 3 349.387 2.316 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125309810 463529366 /nfs/dbraw/zinc/52/93/66/463529366.db2.gz WKFLXHAQISXLLM-SNVBAGLBSA-N 0 3 349.478 2.219 20 5 EEBDHN Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(CN(C)C)c1 ZINC000072840695 463553309 /nfs/dbraw/zinc/55/33/09/463553309.db2.gz MLSQBGZHNDGSAP-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC[C@@H]1C ZINC000058231438 463557689 /nfs/dbraw/zinc/55/76/89/463557689.db2.gz CBAUJZLYYJOQPV-QWRGUYRKSA-N 0 3 338.383 2.309 20 5 EEBDHN CC[C@@H](C)[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380099 463700676 /nfs/dbraw/zinc/70/06/76/463700676.db2.gz QUTFMAJMVYOSRK-BDJLRTHQSA-N 0 3 326.393 2.499 20 5 EEBDHN CN(CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000269275860 463937641 /nfs/dbraw/zinc/93/76/41/463937641.db2.gz OXAKFUWCNVDCRT-UHFFFAOYSA-N 0 3 332.404 2.363 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591020017 468395041 /nfs/dbraw/zinc/39/50/41/468395041.db2.gz YEFLILAZGBBUAW-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN CCC[C@@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224311 464268360 /nfs/dbraw/zinc/26/83/60/464268360.db2.gz VTWNFXUIWKCSSR-CQSZACIVSA-N 0 3 331.376 2.179 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000281754854 464573204 /nfs/dbraw/zinc/57/32/04/464573204.db2.gz RFOPWZRRSSIOOI-MOPGFXCFSA-N 0 3 342.395 2.442 20 5 EEBDHN CC[C@@H](C)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000295250560 464760279 /nfs/dbraw/zinc/76/02/79/464760279.db2.gz QHHBMNXHNCJYAL-CYBMUJFWSA-N 0 3 335.404 2.377 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191940531 464834217 /nfs/dbraw/zinc/83/42/17/464834217.db2.gz LZCVRDOJUYXIJT-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000362259331 465613187 /nfs/dbraw/zinc/61/31/87/465613187.db2.gz DIAJBFIFYDLWLQ-CQSZACIVSA-N 0 3 347.415 2.498 20 5 EEBDHN CN1CCC2(CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362388297 465698229 /nfs/dbraw/zinc/69/82/29/465698229.db2.gz DBBHMXMJXAZUHU-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330560106 465707250 /nfs/dbraw/zinc/70/72/50/465707250.db2.gz IOUCMZWVPSJDFA-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330588526 465718315 /nfs/dbraw/zinc/71/83/15/465718315.db2.gz UJIAVYUGCGFBEY-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000344655001 465752745 /nfs/dbraw/zinc/75/27/45/465752745.db2.gz DBPYPTYWHQENEG-OAHLLOKOSA-N 0 3 335.404 2.210 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccn(CCN(C)C)n1 ZINC000345043320 465818024 /nfs/dbraw/zinc/81/80/24/465818024.db2.gz HDMDFOJXMJPTOL-SDNWHVSQSA-N 0 3 329.404 2.868 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301279691 465935527 /nfs/dbraw/zinc/93/55/27/465935527.db2.gz NMCZZLLTLAPYGP-NSHDSACASA-N 0 3 327.816 2.081 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000361404820 465964993 /nfs/dbraw/zinc/96/49/93/465964993.db2.gz OBIRABJIYAFERI-IRXDYDNUSA-N 0 3 330.388 2.379 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000346181172 465967746 /nfs/dbraw/zinc/96/77/46/465967746.db2.gz HWKFJEBLHJHXMT-IIYDPXPESA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357384487 465993684 /nfs/dbraw/zinc/99/36/84/465993684.db2.gz FGJVGVGVRBKZGJ-UKRRQHHQSA-N 0 3 334.420 2.386 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000361438058 465997106 /nfs/dbraw/zinc/99/71/06/465997106.db2.gz UAIYVZHGRWVPSV-KRWDZBQOSA-N 0 3 336.388 2.244 20 5 EEBDHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346258670 466036042 /nfs/dbraw/zinc/03/60/42/466036042.db2.gz IQOHHUKRDYWKMP-GZBFAFLISA-N 0 3 347.415 2.406 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CC[C@H](CO)O3)o2)c1 ZINC000353707324 466084508 /nfs/dbraw/zinc/08/45/08/466084508.db2.gz QGFVKFSMATWIIM-GOEBONIOSA-N 0 3 332.356 2.484 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cn1 ZINC000340575767 466181123 /nfs/dbraw/zinc/18/11/23/466181123.db2.gz NJRAWSMATSMFEZ-HOTGVXAUSA-N 0 3 328.372 2.037 20 5 EEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](COC)Cc1ccccc1 ZINC000357928956 466327673 /nfs/dbraw/zinc/32/76/73/466327673.db2.gz MRKSCURVMPIJMS-INIZCTEOSA-N 0 3 332.404 2.371 20 5 EEBDHN CN1CC[C@](O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152503 466498448 /nfs/dbraw/zinc/49/84/48/466498448.db2.gz CIBVSLDCLRSLKS-KRWDZBQOSA-N 0 3 331.372 2.011 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C[S@@](C)=O ZINC000362073490 466532104 /nfs/dbraw/zinc/53/21/04/466532104.db2.gz XBGFILVXYLJPNG-YCDSQXFLSA-N 0 3 341.433 2.011 20 5 EEBDHN CC[C@@H](C)N(C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318591359 466589248 /nfs/dbraw/zinc/58/92/48/466589248.db2.gz DZXVRRYMYPOKLY-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN COCCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347428665 466627814 /nfs/dbraw/zinc/62/78/14/466627814.db2.gz LZVYPVDMZYYSDG-UHFFFAOYSA-N 0 3 331.376 2.061 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCN1c1cccnn1 ZINC000363891685 466647372 /nfs/dbraw/zinc/64/73/72/466647372.db2.gz UOMUNTBUHUVXIJ-INIZCTEOSA-N 0 3 327.388 2.452 20 5 EEBDHN COCC(C)(C)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425502089 467100848 /nfs/dbraw/zinc/10/08/48/467100848.db2.gz GNKXIWVTRBJTLT-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413259576 467199278 /nfs/dbraw/zinc/19/92/78/467199278.db2.gz QGZVKCNBLHODPS-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(C)Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000413938717 467345626 /nfs/dbraw/zinc/34/56/26/467345626.db2.gz MGZLATYOZCERDG-UHFFFAOYSA-N 0 3 349.366 2.366 20 5 EEBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414495524 467414868 /nfs/dbraw/zinc/41/48/68/467414868.db2.gz XENZSHZHNHHQOD-GJZGRUSLSA-N 0 3 332.356 2.436 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000449340313 467632274 /nfs/dbraw/zinc/63/22/74/467632274.db2.gz NWJZKDSLJYPGPP-XNRPHZJLSA-N 0 3 340.445 2.471 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450338722 467830697 /nfs/dbraw/zinc/83/06/97/467830697.db2.gz YWQFUUAWCVOANA-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN2CCCO)ccc2ncccc21 ZINC000450596210 467876167 /nfs/dbraw/zinc/87/61/67/467876167.db2.gz NGMNRIFUTREPHZ-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265640 468040804 /nfs/dbraw/zinc/04/08/04/468040804.db2.gz QSQYTHSKWQUKRD-LKFCYVNXSA-N 0 3 327.768 2.344 20 5 EEBDHN CCc1[nH]nc(C(=O)Nc2cc(CN(C)C)ccc2OC)c1[N+](=O)[O-] ZINC000517214727 468075376 /nfs/dbraw/zinc/07/53/76/468075376.db2.gz KARFDIUENGMVSW-UHFFFAOYSA-N 0 3 347.375 2.203 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648884 468092288 /nfs/dbraw/zinc/09/22/88/468092288.db2.gz MFSFWVRIWXMTOP-ZFWWWQNUSA-N 0 3 342.399 2.499 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556690637 468547118 /nfs/dbraw/zinc/54/71/18/468547118.db2.gz XFHHVZOHJWTZFK-NSHDSACASA-N 0 3 337.767 2.004 20 5 EEBDHN Nc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418560 468579787 /nfs/dbraw/zinc/57/97/87/468579787.db2.gz KDNJFASVYGAOGC-QWHCGFSZSA-N 0 3 336.367 2.063 20 5 EEBDHN CC1(C)CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000601150937 468762331 /nfs/dbraw/zinc/76/23/31/468762331.db2.gz JCFSJZPVICPJBI-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688591 468824176 /nfs/dbraw/zinc/82/41/76/468824176.db2.gz XESSEBNXMFPXPG-FZMZJTMJSA-N 0 3 339.392 2.191 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595473020 468866695 /nfs/dbraw/zinc/86/66/95/468866695.db2.gz SLSGEGJHNIUTOZ-MRXNPFEDSA-N 0 3 337.395 2.421 20 5 EEBDHN CN(CCc1nnn(C(C)(C)C)n1)CCc1ccccc1[N+](=O)[O-] ZINC000595482988 468871993 /nfs/dbraw/zinc/87/19/93/468871993.db2.gz DKYSNTSYWBTPJF-UHFFFAOYSA-N 0 3 332.408 2.053 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112156 468875042 /nfs/dbraw/zinc/87/50/42/468875042.db2.gz LVAQOVSUTWGVJO-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000598573830 468919542 /nfs/dbraw/zinc/91/95/42/468919542.db2.gz PPILJSBQGQXFOF-HNNXBMFYSA-N 0 3 330.388 2.006 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000598622166 468936563 /nfs/dbraw/zinc/93/65/63/468936563.db2.gz MAIGCVBKFZDSQD-GFCCVEGCSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679057 468951505 /nfs/dbraw/zinc/95/15/05/468951505.db2.gz UQZUIOUYHQJMBZ-UKRRQHHQSA-N 0 3 338.404 2.465 20 5 EEBDHN CN(CCOC(C)(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610859874 469093780 /nfs/dbraw/zinc/09/37/80/469093780.db2.gz RYMUGQBKTMWNPT-CQSZACIVSA-N 0 3 326.393 2.081 20 5 EEBDHN CN(C)CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000602249334 469257263 /nfs/dbraw/zinc/25/72/63/469257263.db2.gz IOFPNMJVVBRGIL-UHFFFAOYSA-N 0 3 348.334 2.322 20 5 EEBDHN CC(=O)NC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599704239 469344005 /nfs/dbraw/zinc/34/40/05/469344005.db2.gz RXXBTUJTANZRTI-INIZCTEOSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748774 469791227 /nfs/dbraw/zinc/79/12/27/469791227.db2.gz CTXLYROMEAXPPE-DYVFJYSZSA-N 0 3 347.415 2.068 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000609449051 469928557 /nfs/dbraw/zinc/92/85/57/469928557.db2.gz NEWJKAHVQBCMCV-UHFFFAOYSA-N 0 3 326.422 2.011 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780569 536799448 /nfs/dbraw/zinc/79/94/48/536799448.db2.gz XYLRGTAIXKFSKT-NILFDRSVSA-N 0 3 333.388 2.469 20 5 EEBDHN CC(C)(C)OCC(=N)NOCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000768933530 577566002 /nfs/dbraw/zinc/56/60/02/577566002.db2.gz ULXYAXVSAHTQDE-UHFFFAOYSA-N 0 3 339.348 2.275 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757786353 577864095 /nfs/dbraw/zinc/86/40/95/577864095.db2.gz DGNZVMVBZGXMGD-YGRLFVJLSA-N 0 3 334.376 2.208 20 5 EEBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749646787 577979390 /nfs/dbraw/zinc/97/93/90/577979390.db2.gz LQTCQMPZGQOHKY-OAHLLOKOSA-N 0 3 332.356 2.435 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735472092 578154929 /nfs/dbraw/zinc/15/49/29/578154929.db2.gz HJLHYHLMQJDYFO-AWEZNQCLSA-N 0 3 327.812 2.493 20 5 EEBDHN CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001023092916 679122872 /nfs/dbraw/zinc/12/28/72/679122872.db2.gz LAXOWHZQLIOPBZ-GASCZTMLSA-N 0 3 342.399 2.467 20 5 EEBDHN CC[C@@H](CN1CCOCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896617816 685127321 /nfs/dbraw/zinc/12/73/21/685127321.db2.gz KITFSABQGKMNHF-AWEZNQCLSA-N 0 3 327.812 2.449 20 5 EEBDHN CCc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000873193282 1198525917 /nfs/dbraw/zinc/52/59/17/1198525917.db2.gz KWVFFVFWBSAMAX-HZPDHXFCSA-N 0 3 336.413 2.403 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870950835 1200974016 /nfs/dbraw/zinc/97/40/16/1200974016.db2.gz NWKJTSSWKTZPRM-GOSISDBHSA-N 0 3 348.447 2.102 20 5 EEBDHN CN(C)C1(C(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001057379017 1243514465 /nfs/dbraw/zinc/51/44/65/1243514465.db2.gz WTFOAZJAEBRXFQ-UHFFFAOYSA-N 0 3 346.431 2.482 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000856490028 1293546052 /nfs/dbraw/zinc/54/60/52/1293546052.db2.gz UEASUUBYWBBFNA-CYBMUJFWSA-N 0 3 327.331 2.143 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CNc1cccc(C)n1 ZINC001119309321 1309043578 /nfs/dbraw/zinc/04/35/78/1309043578.db2.gz VJZKVAAKBIFPSE-HNNXBMFYSA-N 0 3 344.419 2.380 20 5 EEBDHN Cc1cc(Cc2noc(C[C@H]3CSCCN3)n2)ccc1[N+](=O)[O-] ZINC000843191780 1315863138 /nfs/dbraw/zinc/86/31/38/1315863138.db2.gz MRCQJAISFDURCG-LBPRGKRZSA-N 0 3 334.401 2.125 20 5 EEBDHN Cc1cc(Cl)nc(N2CCO[C@@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158303760 1319159800 /nfs/dbraw/zinc/15/98/00/1319159800.db2.gz CKUCIKXMYIFOCX-LBPRGKRZSA-N 0 3 340.811 2.253 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CNCCO1 ZINC001159501437 1319843393 /nfs/dbraw/zinc/84/33/93/1319843393.db2.gz IXYWNBGQCGXTOV-IUODEOHRSA-N 0 3 328.372 2.446 20 5 EEBDHN O=C(CCc1ccncc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161623250 1320562518 /nfs/dbraw/zinc/56/25/18/1320562518.db2.gz VHIYNTXEGBAXTG-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN CCOCCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307416443 1331537153 /nfs/dbraw/zinc/53/71/53/1331537153.db2.gz XCSWAXFXAWLAKW-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319253468 1332671578 /nfs/dbraw/zinc/67/15/78/1332671578.db2.gz IGXDEKQNCVLJTF-ZBEGNZNMSA-N 0 3 330.388 2.103 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001322654009 1333301500 /nfs/dbraw/zinc/30/15/00/1333301500.db2.gz NYACACWUZKZTEP-YRGRVCCFSA-N 0 3 349.387 2.162 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC([NH+]2CCCCC2)C1 ZINC001609602870 1352031672 /nfs/dbraw/zinc/03/16/72/1352031672.db2.gz MEVSKAVJXQMAOJ-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC([NH+]2CCCCC2)C1 ZINC001609602870 1352031674 /nfs/dbraw/zinc/03/16/74/1352031674.db2.gz MEVSKAVJXQMAOJ-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)cc1C ZINC001334261984 1336229979 /nfs/dbraw/zinc/22/99/79/1336229979.db2.gz BNWFRMGEVQIWAS-BLLLJJGKSA-N 0 3 333.388 2.220 20 5 EEBDHN O=C(c1ccc2c(c1)OCCNC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340107587 1337123403 /nfs/dbraw/zinc/12/34/03/1337123403.db2.gz OUXGFQIKGFIGSH-UHFFFAOYSA-N 0 3 339.351 2.233 20 5 EEBDHN CN(CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001100346733 1338289566 /nfs/dbraw/zinc/28/95/66/1338289566.db2.gz CXFMYZANDXXBCI-UHFFFAOYSA-N 0 3 336.436 2.125 20 5 EEBDHN Cc1cc(NC2CC[NH+](C3CC3)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722830 1351218061 /nfs/dbraw/zinc/21/80/61/1351218061.db2.gz BWTNMZRTUCQUKO-UHFFFAOYSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(NC2CC[NH+](C3CC3)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722830 1351218063 /nfs/dbraw/zinc/21/80/63/1351218063.db2.gz BWTNMZRTUCQUKO-UHFFFAOYSA-N 0 3 343.391 2.122 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC001607079480 1351408434 /nfs/dbraw/zinc/40/84/34/1351408434.db2.gz LPMQSDVZISAAKH-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC001607079480 1351408436 /nfs/dbraw/zinc/40/84/36/1351408436.db2.gz LPMQSDVZISAAKH-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN CC(C)(CCC(=O)NCC1CCN(Cc2ccncc2)CC1)[N+](=O)[O-] ZINC000855529437 1369393990 /nfs/dbraw/zinc/39/39/90/1369393990.db2.gz PBLNAURPJONGPF-UHFFFAOYSA-N 0 3 348.447 2.245 20 5 EEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc([N+](=O)[O-])c(F)c2)c[nH]1 ZINC000859880867 1369450069 /nfs/dbraw/zinc/45/00/69/1369450069.db2.gz XJPYUDRPJHNTTB-CJNGLKHVSA-N 0 3 333.319 2.454 20 5 EEBDHN CC(C)(C[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562881 1372336132 /nfs/dbraw/zinc/33/61/32/1372336132.db2.gz ATPZBUGDOBAOTR-CJNGLKHVSA-N 0 3 349.431 2.242 20 5 EEBDHN CCOCC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001161215523 1372914551 /nfs/dbraw/zinc/91/45/51/1372914551.db2.gz VNVQHABBZCHJGK-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1F ZINC001100543283 759986381 /nfs/dbraw/zinc/98/63/81/759986381.db2.gz ZIELVPXTIMBLNB-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809860042 783427766 /nfs/dbraw/zinc/42/77/66/783427766.db2.gz GXFMTKCXMKAOOF-SNVBAGLBSA-N 0 3 335.451 2.055 20 5 EEBDHN CCNC(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818959784 785344311 /nfs/dbraw/zinc/34/43/11/785344311.db2.gz SZSSVLSEWHBVJK-KRWDZBQOSA-N 0 3 343.383 2.168 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000923262832 789256924 /nfs/dbraw/zinc/25/69/24/789256924.db2.gz YAUHQVMKTWYRIU-PQEBFOHHSA-N 0 3 329.400 2.393 20 5 EEBDHN COc1cccc(F)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127934452 789564135 /nfs/dbraw/zinc/56/41/35/789564135.db2.gz MVKORMTUSAUCRL-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN COC(=O)C[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875908 789972049 /nfs/dbraw/zinc/97/20/49/789972049.db2.gz LTPBBABWWVLPDC-IMSIIYSGSA-N 0 3 327.308 2.274 20 5 EEBDHN CC([C@@H](OC(=O)c1cnn2c1OCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884574 789975024 /nfs/dbraw/zinc/97/50/24/789975024.db2.gz ZXIBOVGALNUYCF-IINYFYTJSA-N 0 3 349.318 2.368 20 5 EEBDHN CN(CCCN(C)C(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccncc1 ZINC000846175714 790078680 /nfs/dbraw/zinc/07/86/80/790078680.db2.gz AUYIPIRWSOTBTL-UHFFFAOYSA-N 0 3 336.436 2.197 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnn(CC3CCC3)c2)cc1 ZINC000921705898 795550982 /nfs/dbraw/zinc/55/09/82/795550982.db2.gz ZMARBZBHXVMSLX-KRWDZBQOSA-N 0 3 330.388 2.415 20 5 EEBDHN CN(CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-])CC(C)(C)C ZINC001094141305 795992069 /nfs/dbraw/zinc/99/20/69/795992069.db2.gz OVPCHEFQFXWQFI-UHFFFAOYSA-N 0 3 340.399 2.240 20 5 EEBDHN CCN(CC)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC001106776203 796510775 /nfs/dbraw/zinc/51/07/75/796510775.db2.gz WVUYZIBAYZGFGX-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC4(COC4)C3)CC2)c(F)c1 ZINC001173013716 797196532 /nfs/dbraw/zinc/19/65/32/797196532.db2.gz DCPNZGXKQSBZCP-UHFFFAOYSA-N 0 3 339.342 2.174 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ncccn2)C1 ZINC001173236687 797321853 /nfs/dbraw/zinc/32/18/53/797321853.db2.gz FBHXURRDULLSIM-CJNGLKHVSA-N 0 3 328.372 2.469 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1scnc1Cl ZINC001151213418 801183946 /nfs/dbraw/zinc/18/39/46/801183946.db2.gz LBSODSBFDPMWFM-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN COc1ccccc1CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030277 803577295 /nfs/dbraw/zinc/57/72/95/803577295.db2.gz XUEHQYLRRSALCJ-RDJZCZTQSA-N 0 3 333.432 2.258 20 5 EEBDHN Cc1cccnc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156356011 803932375 /nfs/dbraw/zinc/93/23/75/803932375.db2.gz SKRPWLADIAIBFS-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN COC(=O)[C@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330103 809895006 /nfs/dbraw/zinc/89/50/06/809895006.db2.gz YTAZASARYLFJAN-JSGCOSHPSA-N 0 3 336.388 2.419 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@@H]2CNCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572782 813015331 /nfs/dbraw/zinc/01/53/31/813015331.db2.gz SBWKAQJCJPSCPN-WFASDCNBSA-N 0 3 343.387 2.149 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491530424 282093067 /nfs/dbraw/zinc/09/30/67/282093067.db2.gz BBGYTTRJCFFTBM-JJEJIETFSA-N 0 3 347.415 2.177 20 5 EEBDHN CC[C@@]1(CO)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187598023 529551800 /nfs/dbraw/zinc/55/18/00/529551800.db2.gz KIEHWNNQLDDTKO-QGZVFWFLSA-N 0 3 335.404 2.408 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000189565883 237029912 /nfs/dbraw/zinc/02/99/12/237029912.db2.gz JNLBCPVNNKUWAS-ZFWWWQNUSA-N 0 3 347.415 2.468 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488953 243130752 /nfs/dbraw/zinc/13/07/52/243130752.db2.gz JLIRWSGFVMAELA-USXIJHARSA-N 0 3 345.399 2.105 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499638 243135545 /nfs/dbraw/zinc/13/55/45/243135545.db2.gz MKBOMFLSJWVVNZ-HFBAOOFYSA-N 0 3 335.404 2.491 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104771768 204119312 /nfs/dbraw/zinc/11/93/12/204119312.db2.gz GSOHRXQPOBFPJO-UHFFFAOYSA-N 0 3 344.799 2.290 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491828062 246170862 /nfs/dbraw/zinc/17/08/62/246170862.db2.gz MOEWRDHNOICXFU-FPLPWBNLSA-N 0 3 347.415 2.177 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC2(CO)CCOCC2)o1 ZINC000265249314 247337308 /nfs/dbraw/zinc/33/73/08/247337308.db2.gz NWOOVZOKDSHKCD-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c2ccncc21 ZINC000095392612 218323857 /nfs/dbraw/zinc/32/38/57/218323857.db2.gz JTSOXKWZKAHADI-OLZOCXBDSA-N 0 3 328.372 2.418 20 5 EEBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174848395 207065507 /nfs/dbraw/zinc/06/55/07/207065507.db2.gz RSWRWXAIIQCLHG-UHFFFAOYSA-N 0 3 343.431 2.388 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(N)=O)CCCCC1 ZINC000177121922 207296015 /nfs/dbraw/zinc/29/60/15/207296015.db2.gz LSRQVUKLHBGFPF-UHFFFAOYSA-N 0 3 348.403 2.010 20 5 EEBDHN CC1(C)CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273353813 256289097 /nfs/dbraw/zinc/28/90/97/256289097.db2.gz NJKREZNNKMKJBY-LBPRGKRZSA-N 0 3 341.433 2.041 20 5 EEBDHN CCN1CCN([C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507411 285334209 /nfs/dbraw/zinc/33/42/09/285334209.db2.gz CKADCKUYZGBBDX-JKSUJKDBSA-N 0 3 332.448 2.368 20 5 EEBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000173500819 152172092 /nfs/dbraw/zinc/17/20/92/152172092.db2.gz DMMNEQLJZINYNA-CABCVRRESA-N 0 3 348.447 2.268 20 5 EEBDHN O=C(C1CCN(C2CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000194893067 160202515 /nfs/dbraw/zinc/20/25/15/160202515.db2.gz DSUXWSODUWDZQN-UHFFFAOYSA-N 0 3 345.399 2.059 20 5 EEBDHN Cc1cc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000342572611 161075298 /nfs/dbraw/zinc/07/52/98/161075298.db2.gz FXHAHOALGLOFDH-NSHDSACASA-N 0 3 331.376 2.144 20 5 EEBDHN CNc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342738416 161087042 /nfs/dbraw/zinc/08/70/42/161087042.db2.gz JGLPCWMFXSGDKQ-STQMWFEESA-N 0 3 332.404 2.335 20 5 EEBDHN C[C@@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCN1C ZINC000343607593 161150946 /nfs/dbraw/zinc/15/09/46/161150946.db2.gz VAJZXVZRNPZAHW-BXUZGUMPSA-N 0 3 332.404 2.382 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000344739577 161241833 /nfs/dbraw/zinc/24/18/33/161241833.db2.gz ZNUUTLLCLNICPJ-HNNXBMFYSA-N 0 3 335.404 2.210 20 5 EEBDHN O=C(CCN1CC[C@@H](COC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000353019330 162393505 /nfs/dbraw/zinc/39/35/05/162393505.db2.gz GGWQKHXEQNOASV-LLVKDONJSA-N 0 3 343.330 2.485 20 5 EEBDHN O=[N+]([O-])c1cccnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000355712614 163278498 /nfs/dbraw/zinc/27/84/98/163278498.db2.gz CTMJLZHPBWJMLJ-KRWDZBQOSA-N 0 3 328.372 2.039 20 5 EEBDHN C[C@H]1N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375245228 167095495 /nfs/dbraw/zinc/09/54/95/167095495.db2.gz LMSIEBRLWDSAMX-GFCCVEGCSA-N 0 3 333.388 2.085 20 5 EEBDHN CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000248643306 292634212 /nfs/dbraw/zinc/63/42/12/292634212.db2.gz ZXJFEUCVONEMRS-HRCADAONSA-N 0 3 333.388 2.247 20 5 EEBDHN Cc1c(C(=O)NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000278642522 269238628 /nfs/dbraw/zinc/23/86/28/269238628.db2.gz SITKWIBEPHHPCZ-ZDUSSCGKSA-N 0 3 335.404 2.134 20 5 EEBDHN O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824226 269392888 /nfs/dbraw/zinc/39/28/88/269392888.db2.gz KHCNTJCVNUIDJY-AAEUAGOBSA-N 0 3 341.358 2.277 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285487062 274740059 /nfs/dbraw/zinc/74/00/59/274740059.db2.gz IKQNKUYQIAYBNY-JKIFEVAISA-N 0 3 346.431 2.480 20 5 EEBDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808820 274854420 /nfs/dbraw/zinc/85/44/20/274854420.db2.gz CITNYVGJKOYIFP-CJNGLKHVSA-N 0 3 327.388 2.477 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108063 275037931 /nfs/dbraw/zinc/03/79/31/275037931.db2.gz VMODNAPMPOQPCL-RDJZCZTQSA-N 0 3 348.399 2.484 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057288169 276864154 /nfs/dbraw/zinc/86/41/54/276864154.db2.gz LWMXKTDLVNUPGS-HNNXBMFYSA-N 0 3 327.384 2.498 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354919206 279277428 /nfs/dbraw/zinc/27/74/28/279277428.db2.gz MGNLQOGPKYEZKI-SNVBAGLBSA-N 0 3 328.800 2.040 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343477472 280118833 /nfs/dbraw/zinc/11/88/33/280118833.db2.gz CRHLFZIMMVWNQW-DZGCQCFKSA-N 0 3 346.431 2.408 20 5 EEBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292924191 293079237 /nfs/dbraw/zinc/07/92/37/293079237.db2.gz ZPXHLZPVIIUIMW-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN COC(=O)Cc1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448687 294246912 /nfs/dbraw/zinc/24/69/12/294246912.db2.gz JFPQONIUENUFNQ-YPMHNXCESA-N 0 3 333.388 2.347 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1c1ccccc1Cl ZINC000261759437 294458022 /nfs/dbraw/zinc/45/80/22/294458022.db2.gz NWXRXRNBTBXTLP-ZDUSSCGKSA-N 0 3 335.795 2.128 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299060492 294649146 /nfs/dbraw/zinc/64/91/46/294649146.db2.gz IWCVYPXPEFEKNR-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000164918023 311390153 /nfs/dbraw/zinc/39/01/53/311390153.db2.gz JDBRAFLSNRMSBT-RHSMWYFYSA-N 0 3 349.431 2.437 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415489160 313130201 /nfs/dbraw/zinc/13/02/01/313130201.db2.gz WOGHQWOJDISWLG-YPMHNXCESA-N 0 3 336.392 2.446 20 5 EEBDHN COc1ccc(OCCN2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421008956 314022625 /nfs/dbraw/zinc/02/26/25/314022625.db2.gz DWRYXKBKULDWSB-CQSZACIVSA-N 0 3 338.404 2.467 20 5 EEBDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028352 314031579 /nfs/dbraw/zinc/03/15/79/314031579.db2.gz UGWVCLHJCRJQJQ-QWHCGFSZSA-N 0 3 338.408 2.091 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421760686 314157364 /nfs/dbraw/zinc/15/73/64/314157364.db2.gz GVDNFCSLWKBWDC-UHFFFAOYSA-N 0 3 349.431 2.442 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000430214068 314505604 /nfs/dbraw/zinc/50/56/04/314505604.db2.gz WQBJLGAAXCSRJT-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000430216497 314505649 /nfs/dbraw/zinc/50/56/49/314505649.db2.gz FFTBFNKLNRQMCI-HIFRSBDPSA-N 0 3 325.434 2.081 20 5 EEBDHN C[C@H]1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995053 316944772 /nfs/dbraw/zinc/94/47/72/316944772.db2.gz CVTBWKJTZYPGOJ-STQMWFEESA-N 0 3 326.418 2.394 20 5 EEBDHN CN(C)Cc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000525490397 317060898 /nfs/dbraw/zinc/06/08/98/317060898.db2.gz USVWHIGFZRARIX-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC1 ZINC000536568362 318001468 /nfs/dbraw/zinc/00/14/68/318001468.db2.gz LCRGTXXMIJHODI-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000541348542 318097540 /nfs/dbraw/zinc/09/75/40/318097540.db2.gz BYMSDKYCMXSHDT-UPJWGTAASA-N 0 3 326.418 2.160 20 5 EEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000546180252 318246176 /nfs/dbraw/zinc/24/61/76/318246176.db2.gz UBDZCVYDXJHDME-MRXNPFEDSA-N 0 3 347.802 2.477 20 5 EEBDHN CN1CCC(Nc2ccccc2NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548085725 318353258 /nfs/dbraw/zinc/35/32/58/318353258.db2.gz PKSKNXQPXCMPMJ-UHFFFAOYSA-N 0 3 344.375 2.076 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)c2ccccc2)cc1 ZINC000559072246 318738724 /nfs/dbraw/zinc/73/87/24/318738724.db2.gz ZMKFGGGMGYXBNF-UHFFFAOYSA-N 0 3 334.397 2.201 20 5 EEBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116062 319247497 /nfs/dbraw/zinc/24/74/97/319247497.db2.gz HLHBATUOHUNDAR-ZBFHGGJFSA-N 0 3 346.383 2.392 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2csc3ccccc23)c1 ZINC000578210936 320301052 /nfs/dbraw/zinc/30/10/52/320301052.db2.gz XBBQXQWXUZOEIG-CYBMUJFWSA-N 0 3 332.385 2.157 20 5 EEBDHN COCCOC1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000296308913 465152363 /nfs/dbraw/zinc/15/23/63/465152363.db2.gz GFRHLRURAZKNNM-AWEZNQCLSA-N 0 3 338.404 2.458 20 5 EEBDHN CC(C)N1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000347927491 465314522 /nfs/dbraw/zinc/31/45/22/465314522.db2.gz HZFGXNQKBVXWNI-LLVKDONJSA-N 0 3 331.376 2.074 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000085455788 462547788 /nfs/dbraw/zinc/54/77/88/462547788.db2.gz AEAXLMQJKUWNQU-RYUDHWBXSA-N 0 3 341.433 2.276 20 5 EEBDHN Cc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000060949438 462571513 /nfs/dbraw/zinc/57/15/13/462571513.db2.gz ZTMLKVGNGNONRM-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN CC1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000153525248 462660595 /nfs/dbraw/zinc/66/05/95/462660595.db2.gz WATPLPRTBIFCSD-UHFFFAOYSA-N 0 3 344.415 2.467 20 5 EEBDHN CNC(=O)c1ccc(N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586842 462802324 /nfs/dbraw/zinc/80/23/24/462802324.db2.gz RYLPUHVSRNHMDA-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN Cn1cc([C@H](CO)N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000090884764 462814265 /nfs/dbraw/zinc/81/42/65/462814265.db2.gz QVBNBBYHPZJFAS-XYPHTWIQSA-N 0 3 344.415 2.363 20 5 EEBDHN C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C ZINC000047856740 462828919 /nfs/dbraw/zinc/82/89/19/462828919.db2.gz OOAAGQASSAHCQR-SECBINFHSA-N 0 3 349.309 2.216 20 5 EEBDHN CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000076461049 462864139 /nfs/dbraw/zinc/86/41/39/462864139.db2.gz ZXSHSDIFJWTTNV-CYBMUJFWSA-N 0 3 330.392 2.244 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171034 462946323 /nfs/dbraw/zinc/94/63/23/462946323.db2.gz OLTXTUZYMYJHDW-WMLDXEAASA-N 0 3 331.372 2.500 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067906543 463065885 /nfs/dbraw/zinc/06/58/85/463065885.db2.gz JCGCPPARNKDPNU-KGLIPLIRSA-N 0 3 349.431 2.383 20 5 EEBDHN O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000055902821 463359440 /nfs/dbraw/zinc/35/94/40/463359440.db2.gz HCSFJCIWRBFRKN-UHFFFAOYSA-N 0 3 347.415 2.354 20 5 EEBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000151127179 463480553 /nfs/dbraw/zinc/48/05/53/463480553.db2.gz RPOUDDJPWCEMOZ-INIZCTEOSA-N 0 3 334.420 2.340 20 5 EEBDHN CCC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072724188 463540581 /nfs/dbraw/zinc/54/05/81/463540581.db2.gz VVMJXAXQIXMRNT-UHFFFAOYSA-N 0 3 335.404 2.469 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162847151 463543288 /nfs/dbraw/zinc/54/32/88/463543288.db2.gz JOCIUORGTXIRTG-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CN(C)CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000085363955 463646945 /nfs/dbraw/zinc/64/69/45/463646945.db2.gz VBRHPAKNNYXDLW-UHFFFAOYSA-N 0 3 329.784 2.037 20 5 EEBDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000177669167 463761774 /nfs/dbraw/zinc/76/17/74/463761774.db2.gz RTJCPZFWHWGUPD-BMIGLBTASA-N 0 3 329.312 2.465 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261628760 463806864 /nfs/dbraw/zinc/80/68/64/463806864.db2.gz CTBSBMOLRLNRRN-ZDUSSCGKSA-N 0 3 335.795 2.128 20 5 EEBDHN COCCCN1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194555864 463884238 /nfs/dbraw/zinc/88/42/38/463884238.db2.gz KQYHUBPVNNFKCU-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)N(CC)CC)c1[N+](=O)[O-] ZINC000171679336 463905109 /nfs/dbraw/zinc/90/51/09/463905109.db2.gz GDGSGYYJKFLREY-LBPRGKRZSA-N 0 3 349.391 2.286 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1(N(C)C)CCC1 ZINC000186981759 464087706 /nfs/dbraw/zinc/08/77/06/464087706.db2.gz OMZKINQUAFKJSX-CYBMUJFWSA-N 0 3 334.420 2.338 20 5 EEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000263677522 464149171 /nfs/dbraw/zinc/14/91/71/464149171.db2.gz HMRPPWDSFIJLOJ-OAHLLOKOSA-N 0 3 338.383 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292752186 464329753 /nfs/dbraw/zinc/32/97/53/464329753.db2.gz JVZFNFBNJGSWJQ-INIZCTEOSA-N 0 3 334.376 2.163 20 5 EEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000271664811 464357974 /nfs/dbraw/zinc/35/79/74/464357974.db2.gz HSAWLHQGANPRBN-LBPRGKRZSA-N 0 3 349.412 2.136 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246248124 464562529 /nfs/dbraw/zinc/56/25/29/464562529.db2.gz VZCVHPMKPHMTJS-CABCVRRESA-N 0 3 348.447 2.268 20 5 EEBDHN CCO[C@H]1C[C@](CO)(NCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981332 464578472 /nfs/dbraw/zinc/57/84/72/464578472.db2.gz LRJWMGFCEDWCFY-DOTOQJQBSA-N 0 3 338.404 2.129 20 5 EEBDHN O=C(CCNCc1cccc2c1OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000554527542 468415836 /nfs/dbraw/zinc/41/58/36/468415836.db2.gz IZQSXNJGWPTZDX-UHFFFAOYSA-N 0 3 343.339 2.442 20 5 EEBDHN Cc1cc(OCC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285977077 464762447 /nfs/dbraw/zinc/76/24/47/464762447.db2.gz WXFWFVHZAKFOEH-LSDHHAIUSA-N 0 3 347.415 2.367 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000286053374 464788487 /nfs/dbraw/zinc/78/84/87/464788487.db2.gz HXUKNFDJUFLWES-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900514 464864387 /nfs/dbraw/zinc/86/43/87/464864387.db2.gz UBFNXMLQVGSEHZ-YOEHRIQHSA-N 0 3 348.447 2.188 20 5 EEBDHN C[C@@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900508 464864556 /nfs/dbraw/zinc/86/45/56/464864556.db2.gz UBFNXMLQVGSEHZ-PBHICJAKSA-N 0 3 348.447 2.188 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330552016 465702916 /nfs/dbraw/zinc/70/29/16/465702916.db2.gz FFCFMJJECBICPA-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344611271 465721226 /nfs/dbraw/zinc/72/12/26/465721226.db2.gz MPZTYVPWCOBFIB-LBPRGKRZSA-N 0 3 337.424 2.121 20 5 EEBDHN COc1cc(CNCCc2ncc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000340109000 465773669 /nfs/dbraw/zinc/77/36/69/465773669.db2.gz MZQSLVUHDNXQLP-UHFFFAOYSA-N 0 3 332.360 2.043 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000346289681 466063826 /nfs/dbraw/zinc/06/38/26/466063826.db2.gz GDPHIGVVPNGMPF-GOSISDBHSA-N 0 3 346.431 2.341 20 5 EEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1CCO ZINC000302565846 466154806 /nfs/dbraw/zinc/15/48/06/466154806.db2.gz WHPLEXVGKBYKIL-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC000349721539 466205553 /nfs/dbraw/zinc/20/55/53/466205553.db2.gz LDHRBSBMSGLLHM-STQMWFEESA-N 0 3 344.419 2.309 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000357859182 466268550 /nfs/dbraw/zinc/26/85/50/466268550.db2.gz HKQSOFRQJGQCFH-BLLLJJGKSA-N 0 3 345.403 2.058 20 5 EEBDHN Cc1sc(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000350313028 466458311 /nfs/dbraw/zinc/45/83/11/466458311.db2.gz DUMCRXRWNONBSC-UHFFFAOYSA-N 0 3 347.462 2.071 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000325234721 466655987 /nfs/dbraw/zinc/65/59/87/466655987.db2.gz BYZTYHCGQCWWSC-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000411974450 466954319 /nfs/dbraw/zinc/95/43/19/466954319.db2.gz YQLXNKJWPMINAU-GOSISDBHSA-N 0 3 343.358 2.363 20 5 EEBDHN CN(C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2F)ccn1 ZINC000413207064 467190179 /nfs/dbraw/zinc/19/01/79/467190179.db2.gz CLZCFLGWZYDCGI-UHFFFAOYSA-N 0 3 335.339 2.076 20 5 EEBDHN Cc1cc(NCC2(N3CCOCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000413485316 467252397 /nfs/dbraw/zinc/25/23/97/467252397.db2.gz VUTWJKBMCLYYAZ-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC[C@H]2C2CC2)c1 ZINC000451650524 467265362 /nfs/dbraw/zinc/26/53/62/467265362.db2.gz UTBDCOIDUULUNA-HOCLYGCPSA-N 0 3 338.429 2.162 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433064102 467287755 /nfs/dbraw/zinc/28/77/55/467287755.db2.gz VUPYVDZRGCSUPW-NVXWUHKLSA-N 0 3 330.388 2.032 20 5 EEBDHN CCc1cc(N2CCNC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420181274 467317551 /nfs/dbraw/zinc/31/75/51/467317551.db2.gz XRQFRGMORHSNAF-LBPRGKRZSA-N 0 3 327.388 2.412 20 5 EEBDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305124 467323411 /nfs/dbraw/zinc/32/34/11/467323411.db2.gz ZOISHQSQNSISOB-BXUZGUMPSA-N 0 3 341.367 2.384 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433836340 467357690 /nfs/dbraw/zinc/35/76/90/467357690.db2.gz NXWFKGWFVUTLST-RYUDHWBXSA-N 0 3 337.424 2.434 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420456193 467413687 /nfs/dbraw/zinc/41/36/87/467413687.db2.gz GSJZPNGSJITFMD-INIZCTEOSA-N 0 3 349.412 2.136 20 5 EEBDHN CC(C)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000453434003 467488934 /nfs/dbraw/zinc/48/89/34/467488934.db2.gz XAVQICROPHUWBE-UHFFFAOYSA-N 0 3 344.419 2.311 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000431038950 467490025 /nfs/dbraw/zinc/49/00/25/467490025.db2.gz VBHKVFFGVKESBL-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454539937 467599684 /nfs/dbraw/zinc/59/96/84/467599684.db2.gz ASUXKUZMNOMJNG-WBVHZDCISA-N 0 3 346.431 2.263 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000449243297 467625290 /nfs/dbraw/zinc/62/52/90/467625290.db2.gz JSCAKWCCGJILJN-YVEFUNNKSA-N 0 3 338.404 2.208 20 5 EEBDHN Cc1nc(N2CCCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450228207 467803787 /nfs/dbraw/zinc/80/37/87/467803787.db2.gz AVBCMKNKYGOFKR-UHFFFAOYSA-N 0 3 327.388 2.406 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143993 467998615 /nfs/dbraw/zinc/99/86/15/467998615.db2.gz YVPVSJIOQHAPTM-YPMHNXCESA-N 0 3 347.375 2.256 20 5 EEBDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487956546 468062879 /nfs/dbraw/zinc/06/28/79/468062879.db2.gz LTPLRJJNDNSSPB-BBRMVZONSA-N 0 3 334.420 2.194 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488036517 468068831 /nfs/dbraw/zinc/06/88/31/468068831.db2.gz RPBNPIIPGMOKHK-IUODEOHRSA-N 0 3 335.404 2.331 20 5 EEBDHN CC(C)(C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590033663 468206425 /nfs/dbraw/zinc/20/64/25/468206425.db2.gz WNFWWURXKGTZME-AWEZNQCLSA-N 0 3 331.416 2.473 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594212102 468514541 /nfs/dbraw/zinc/51/45/41/468514541.db2.gz SLPRQSBTQPRKHW-HZPDHXFCSA-N 0 3 332.404 2.411 20 5 EEBDHN Nc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418557 468579136 /nfs/dbraw/zinc/57/91/36/468579136.db2.gz KDNJFASVYGAOGC-CHWSQXEVSA-N 0 3 336.367 2.063 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(N2CCOCC2)CC1 ZINC000595053128 468750182 /nfs/dbraw/zinc/75/01/82/468750182.db2.gz ZVOZFCXQNVXROY-CYBMUJFWSA-N 0 3 335.404 2.119 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598589789 468924917 /nfs/dbraw/zinc/92/49/17/468924917.db2.gz JNIWZUKAJSJIQH-VXGBXAGGSA-N 0 3 336.392 2.451 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000602669569 469001697 /nfs/dbraw/zinc/00/16/97/469001697.db2.gz JTGXYZVHXWPQTO-NEPJUHHUSA-N 0 3 334.294 2.243 20 5 EEBDHN CN(CCN1CCCCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000593516614 469012447 /nfs/dbraw/zinc/01/24/47/469012447.db2.gz PHGYVBVLUAAYKJ-UHFFFAOYSA-N 0 3 331.376 2.166 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN(CCN2CCOCC2)CC2CC2)c1 ZINC000595806778 469020134 /nfs/dbraw/zinc/02/01/34/469020134.db2.gz GFWZOMRGVRXVDT-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCNC2 ZINC000595916356 469082043 /nfs/dbraw/zinc/08/20/43/469082043.db2.gz QPUGNAZEWNKLTI-UHFFFAOYSA-N 0 3 346.412 2.144 20 5 EEBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800520 469084490 /nfs/dbraw/zinc/08/44/90/469084490.db2.gz XMZVJKLLPFNSJH-CYBMUJFWSA-N 0 3 338.408 2.011 20 5 EEBDHN COc1cccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000596055630 469130122 /nfs/dbraw/zinc/13/01/22/469130122.db2.gz TZWUPUSYSVXGQA-CQSZACIVSA-N 0 3 332.360 2.419 20 5 EEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000596073934 469141403 /nfs/dbraw/zinc/14/14/03/469141403.db2.gz ORSDFBLTPHAUIK-UHFFFAOYSA-N 0 3 344.362 2.246 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC(F)(F)CC1 ZINC000599552028 469290816 /nfs/dbraw/zinc/29/08/16/469290816.db2.gz CUBTURWUJZNGCT-LBPRGKRZSA-N 0 3 330.331 2.456 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCN(C)Cc1ccncc1 ZINC000603398537 469377163 /nfs/dbraw/zinc/37/71/63/469377163.db2.gz ASMRFHAWMMVUBM-UHFFFAOYSA-N 0 3 346.435 2.473 20 5 EEBDHN COc1cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])cc1[O-] ZINC000608781844 469877529 /nfs/dbraw/zinc/87/75/29/469877529.db2.gz AZIRIORYDLZAGY-ZDUSSCGKSA-N 0 3 344.371 2.055 20 5 EEBDHN O=C(CCN1CCC[C@H](n2ccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157460 469898831 /nfs/dbraw/zinc/89/88/31/469898831.db2.gz RUIBLBADMCYVER-AWEZNQCLSA-N 0 3 343.387 2.457 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000183622680 534424574 /nfs/dbraw/zinc/42/45/74/534424574.db2.gz FJKPKPXDILGBHD-GUTXKFCHSA-N 0 3 345.403 2.328 20 5 EEBDHN CC(C)C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C ZINC000181876146 528529176 /nfs/dbraw/zinc/52/91/76/528529176.db2.gz DUFWPNPFFDCIJF-GFCCVEGCSA-N 0 3 337.376 2.030 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000425059879 536488306 /nfs/dbraw/zinc/48/83/06/536488306.db2.gz SXWSWVBAWIWVBW-SWLSCSKDSA-N 0 3 328.372 2.242 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000733166163 577206099 /nfs/dbraw/zinc/20/60/99/577206099.db2.gz GAFVVZHFRDEPJD-CQSZACIVSA-N 0 3 345.403 2.097 20 5 EEBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772748851 577293747 /nfs/dbraw/zinc/29/37/47/577293747.db2.gz AZOBVULANTXEPQ-JTQLQIEISA-N 0 3 337.767 2.062 20 5 EEBDHN COC[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847357 577508199 /nfs/dbraw/zinc/50/81/99/577508199.db2.gz BDDWJBWZNULATH-AEFFLSMTSA-N 0 3 330.384 2.476 20 5 EEBDHN C[C@@H]1CN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CCCO1 ZINC000763053817 577713590 /nfs/dbraw/zinc/71/35/90/577713590.db2.gz GCAHTZXTUBBUNS-CYBMUJFWSA-N 0 3 333.392 2.155 20 5 EEBDHN CN(CCN1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757263995 577858824 /nfs/dbraw/zinc/85/88/24/577858824.db2.gz ULQSIYQLAUPRNB-UHFFFAOYSA-N 0 3 340.811 2.485 20 5 EEBDHN CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000820115903 606037182 /nfs/dbraw/zinc/03/71/82/606037182.db2.gz BKRYXHSBXZFALO-UHFFFAOYSA-N 0 3 348.411 2.091 20 5 EEBDHN CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000820115903 606037186 /nfs/dbraw/zinc/03/71/86/606037186.db2.gz BKRYXHSBXZFALO-UHFFFAOYSA-N 0 3 348.411 2.091 20 5 EEBDHN CCc1ncoc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020568639 675161096 /nfs/dbraw/zinc/16/10/96/675161096.db2.gz XFIFJYDZLCHGNA-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN CC(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000893047875 683645442 /nfs/dbraw/zinc/64/54/42/683645442.db2.gz RGZBNDIUOVMSPF-RYUDHWBXSA-N 0 3 332.397 2.476 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001105441686 1187158713 /nfs/dbraw/zinc/15/87/13/1187158713.db2.gz DUJMUGYWBHVFKL-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN CN(C)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825835471 1199464276 /nfs/dbraw/zinc/46/42/76/1199464276.db2.gz KKIMYXHEZQKNAD-QGZVFWFLSA-N 0 3 349.431 2.351 20 5 EEBDHN COc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001134387180 1199538916 /nfs/dbraw/zinc/53/89/16/1199538916.db2.gz GWGOGPUMZNLOGM-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN O=C(CCC1CCOCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134725847 1199773420 /nfs/dbraw/zinc/77/34/20/1199773420.db2.gz KYGUEYDHXJFDQZ-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN COc1cccc(C(=O)NC[C@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877339753 1199907361 /nfs/dbraw/zinc/90/73/61/1199907361.db2.gz ANGLIYHTXHBNBL-CQSZACIVSA-N 0 3 341.367 2.048 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC001133035882 1200337834 /nfs/dbraw/zinc/33/78/34/1200337834.db2.gz FJVJJNGWJKFHOP-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN COc1ccc(OCCN2CCC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000879962045 1201326259 /nfs/dbraw/zinc/32/62/59/1201326259.db2.gz LPZWTEFCSXHVGN-CYBMUJFWSA-N 0 3 338.404 2.465 20 5 EEBDHN Cc1cc(N(C)CCCNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001095657752 1205905164 /nfs/dbraw/zinc/90/51/64/1205905164.db2.gz FUNSSHHWUTXMGT-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932382248 1207594457 /nfs/dbraw/zinc/59/44/57/1207594457.db2.gz IAPJQPAEVQUZDQ-KSSFIOAISA-N 0 3 343.383 2.470 20 5 EEBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000796449087 1218196164 /nfs/dbraw/zinc/19/61/64/1218196164.db2.gz KIAJKOOOZHXWDB-GFCCVEGCSA-N 0 3 338.364 2.200 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001057335053 1243339046 /nfs/dbraw/zinc/33/90/46/1243339046.db2.gz QRYNCODTCHIKSG-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1F ZINC000852008027 1291950481 /nfs/dbraw/zinc/95/04/81/1291950481.db2.gz DJDYJBUNRQBTET-HNNXBMFYSA-N 0 3 337.395 2.421 20 5 EEBDHN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889443 1315428373 /nfs/dbraw/zinc/42/83/73/1315428373.db2.gz GJEPZIOXZQBAOK-NSHDSACASA-N 0 3 341.433 2.043 20 5 EEBDHN Cc1ccccc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150542114 1316293605 /nfs/dbraw/zinc/29/36/05/1316293605.db2.gz HJJYHCINFKFRQY-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589715497 1349023052 /nfs/dbraw/zinc/02/30/52/1349023052.db2.gz WCJLCDZBXKTKRF-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589715497 1349023056 /nfs/dbraw/zinc/02/30/56/1349023056.db2.gz WCJLCDZBXKTKRF-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259680 1349234784 /nfs/dbraw/zinc/23/47/84/1349234784.db2.gz LWXMNDAFVBQVST-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCC[C@H](C)C1 ZINC001590259680 1349234787 /nfs/dbraw/zinc/23/47/87/1349234787.db2.gz LWXMNDAFVBQVST-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259680 1349234792 /nfs/dbraw/zinc/23/47/92/1349234792.db2.gz LWXMNDAFVBQVST-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCC[C@H](C)C1 ZINC001590259680 1349234795 /nfs/dbraw/zinc/23/47/95/1349234795.db2.gz LWXMNDAFVBQVST-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001593475053 1349809291 /nfs/dbraw/zinc/80/92/91/1349809291.db2.gz GIRWLTXMJHINHY-UHFFFAOYSA-N 0 3 338.371 2.150 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001593475053 1349809294 /nfs/dbraw/zinc/80/92/94/1349809294.db2.gz GIRWLTXMJHINHY-UHFFFAOYSA-N 0 3 338.371 2.150 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078533 1350635626 /nfs/dbraw/zinc/63/56/26/1350635626.db2.gz ZNGYEDDDPMZCOA-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078533 1350635628 /nfs/dbraw/zinc/63/56/28/1350635628.db2.gz ZNGYEDDDPMZCOA-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078533 1350635630 /nfs/dbraw/zinc/63/56/30/1350635630.db2.gz ZNGYEDDDPMZCOA-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078533 1350635633 /nfs/dbraw/zinc/63/56/33/1350635633.db2.gz ZNGYEDDDPMZCOA-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[NH+]1CCCCCC1 ZINC001607084403 1351411134 /nfs/dbraw/zinc/41/11/34/1351411134.db2.gz DAVQOLMDDHQYKO-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[NH+]1CCCCCC1 ZINC001607084403 1351411135 /nfs/dbraw/zinc/41/11/35/1351411135.db2.gz DAVQOLMDDHQYKO-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112353065 1371408678 /nfs/dbraw/zinc/40/86/78/1371408678.db2.gz PKIIKQPUWIBALJ-UHFFFAOYSA-N 0 3 349.435 2.125 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001100546560 1373077016 /nfs/dbraw/zinc/07/70/16/1373077016.db2.gz DDJNDYFCLWZOJX-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1nc(CN)c2ccccc21 ZINC001167698270 761858568 /nfs/dbraw/zinc/85/85/68/761858568.db2.gz ROFGOXUSVRUQST-UHFFFAOYSA-N 0 3 326.312 2.179 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001105409039 782919471 /nfs/dbraw/zinc/91/94/71/782919471.db2.gz RPUIVVWMPYKSNF-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000923309372 789366548 /nfs/dbraw/zinc/36/65/48/789366548.db2.gz KPDKESQVWTYPPO-WCQYABFASA-N 0 3 328.372 2.385 20 5 EEBDHN CC([C@H](OC(=O)CCc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882605 789973891 /nfs/dbraw/zinc/97/38/91/789973891.db2.gz OXIHNEDANJARRQ-BZNIZROVSA-N 0 3 333.319 2.498 20 5 EEBDHN COc1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001148880779 792785815 /nfs/dbraw/zinc/78/58/15/792785815.db2.gz ADCVFJOFKGFSNL-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN CN(C)c1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001148949275 792805082 /nfs/dbraw/zinc/80/50/82/792805082.db2.gz YRTFMAUHYFCUPE-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cc(Cl)no1 ZINC001171787495 796746579 /nfs/dbraw/zinc/74/65/79/796746579.db2.gz QDPGBZBUJAIXCP-UHFFFAOYSA-N 0 3 344.780 2.207 20 5 EEBDHN Cc1nc(NC2CCN(C(=O)CN(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095228642 797551947 /nfs/dbraw/zinc/55/19/47/797551947.db2.gz OLBCGTFFYYIIFT-UHFFFAOYSA-N 0 3 349.435 2.041 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001095228713 797552823 /nfs/dbraw/zinc/55/28/23/797552823.db2.gz SBXWVIDGNOYBOK-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC(C)N(C)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095229640 797560666 /nfs/dbraw/zinc/56/06/66/797560666.db2.gz RLAJVVANRSAKLF-UHFFFAOYSA-N 0 3 334.420 2.338 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013966 803571196 /nfs/dbraw/zinc/57/11/96/803571196.db2.gz WZQIQYRGXPDCHN-RFQIPJPRSA-N 0 3 325.409 2.125 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025910 803591396 /nfs/dbraw/zinc/59/13/96/803591396.db2.gz JVHKDBWEUXCHQJ-IAGOWNOFSA-N 0 3 333.432 2.128 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001130861091 812122891 /nfs/dbraw/zinc/12/28/91/812122891.db2.gz ZXOGPXJDDNGYIS-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN CN(C)CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000807268923 812165982 /nfs/dbraw/zinc/16/59/82/812165982.db2.gz VYOWMSUNVNEBGH-UHFFFAOYSA-N 0 3 327.331 2.239 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807987778 812403964 /nfs/dbraw/zinc/40/39/64/812403964.db2.gz NNOGHVPYDDHARO-LLVKDONJSA-N 0 3 349.416 2.156 20 5 EEBDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000173937476 299192129 /nfs/dbraw/zinc/19/21/29/299192129.db2.gz SXEALDTVQONPRF-LBPRGKRZSA-N 0 3 346.391 2.236 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)Cc2ccccc2)n1 ZINC000286511238 201335341 /nfs/dbraw/zinc/33/53/41/201335341.db2.gz WRFAJMSYOICYPX-UHFFFAOYSA-N 0 3 344.371 2.320 20 5 EEBDHN O=C(C[C@@H]1CSCCN1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423722623 240584701 /nfs/dbraw/zinc/58/47/01/240584701.db2.gz KGWPYOWZBBRXOD-CYBMUJFWSA-N 0 3 335.429 2.181 20 5 EEBDHN C[C@H](N[C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611335 243176806 /nfs/dbraw/zinc/17/68/06/243176806.db2.gz PBEVJEMIQSUQRU-YMRXKLBXSA-N 0 3 347.415 2.309 20 5 EEBDHN C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000455673582 244056514 /nfs/dbraw/zinc/05/65/14/244056514.db2.gz YIHAQVPZUSVFIR-GFCCVEGCSA-N 0 3 346.391 2.236 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770431 205156777 /nfs/dbraw/zinc/15/67/77/205156777.db2.gz MHSRILMXVOGGOZ-KSYCFECVSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797453 205158219 /nfs/dbraw/zinc/15/82/19/205158219.db2.gz ZBCZBYIZQWNGRS-BCUIYNNISA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000492072063 246288522 /nfs/dbraw/zinc/28/85/22/246288522.db2.gz HZPPUFXCSKGLSX-RIEIZIRISA-N 0 3 333.363 2.489 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000492292758 246385788 /nfs/dbraw/zinc/38/57/88/246385788.db2.gz YVPQKMNZQZPADL-XDHNQJSPSA-N 0 3 335.429 2.112 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907985 247032477 /nfs/dbraw/zinc/03/24/77/247032477.db2.gz XZKYARMFTXLIDE-YPMHNXCESA-N 0 3 331.376 2.105 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000265094664 247198945 /nfs/dbraw/zinc/19/89/45/247198945.db2.gz VEWZUXVANUAQLX-LBPRGKRZSA-N 0 3 337.424 2.265 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000176201542 207200777 /nfs/dbraw/zinc/20/07/77/207200777.db2.gz XLGVFKMFCLVHHU-UHFFFAOYSA-N 0 3 347.394 2.138 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000267166806 256033998 /nfs/dbraw/zinc/03/39/98/256033998.db2.gz BDTRBWLNVUPRPT-KRWDZBQOSA-N 0 3 342.399 2.129 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270509351 256142661 /nfs/dbraw/zinc/14/26/61/256142661.db2.gz WHHFSYXIIDXUJW-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN O=[N+]([O-])c1cccnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273233435 256278727 /nfs/dbraw/zinc/27/87/27/256278727.db2.gz SAGKNBCRDZDLOL-OAHLLOKOSA-N 0 3 328.372 2.169 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106376 256354469 /nfs/dbraw/zinc/35/44/69/256354469.db2.gz VFXVNPBZHAEXAM-IJLUTSLNSA-N 0 3 337.376 2.099 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000359494072 153398694 /nfs/dbraw/zinc/39/86/94/153398694.db2.gz FHWNYJIAADLLOP-UHFFFAOYSA-N 0 3 349.416 2.084 20 5 EEBDHN O=C1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181169 159193001 /nfs/dbraw/zinc/19/30/01/159193001.db2.gz WPQOUXLCEHVVFB-ZBFHGGJFSA-N 0 3 329.400 2.269 20 5 EEBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185594504 160041881 /nfs/dbraw/zinc/04/18/81/160041881.db2.gz TYVQHZNOWUIURI-ABAIWWIYSA-N 0 3 341.367 2.348 20 5 EEBDHN COc1ccc(OCCN(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245556134 160241604 /nfs/dbraw/zinc/24/16/04/160241604.db2.gz UFKCVBIMXPIRJB-XJKSGUPXSA-N 0 3 338.404 2.465 20 5 EEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829093 160253163 /nfs/dbraw/zinc/25/31/63/160253163.db2.gz GBDUSUFFBYCNEE-RHSMWYFYSA-N 0 3 344.415 2.316 20 5 EEBDHN Cc1ccnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355723622 163281571 /nfs/dbraw/zinc/28/15/71/163281571.db2.gz UAQNSQJEUNYTIS-GOSISDBHSA-N 0 3 342.399 2.347 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(C)(CN3CCN(C)CC3)CC2)n1 ZINC000374933974 167071576 /nfs/dbraw/zinc/07/15/76/167071576.db2.gz YQRNZRRBCYRQHT-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN CN(C)CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000157811409 292573277 /nfs/dbraw/zinc/57/32/77/292573277.db2.gz PQLWQTQNCLRTTD-UHFFFAOYSA-N 0 3 325.390 2.188 20 5 EEBDHN Cc1cc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000278652117 269239329 /nfs/dbraw/zinc/23/93/29/269239329.db2.gz SRJVKQKKTFDZTQ-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184105 269336019 /nfs/dbraw/zinc/33/60/19/269336019.db2.gz AJSOKZCKOUBRIU-AEGPPILISA-N 0 3 338.404 2.289 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193333259 274058266 /nfs/dbraw/zinc/05/82/66/274058266.db2.gz QLYPJULKVVVZEP-CQSZACIVSA-N 0 3 349.435 2.180 20 5 EEBDHN COc1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c(F)cc1[N+](=O)[O-] ZINC000271608199 274144958 /nfs/dbraw/zinc/14/49/58/274144958.db2.gz JOKYADRICMCGNK-OCCSQVGLSA-N 0 3 329.397 2.224 20 5 EEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784919 274151518 /nfs/dbraw/zinc/15/15/18/274151518.db2.gz MGSQAWVSYBOHIM-JOYOIKCWSA-N 0 3 342.758 2.296 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277404452 274290703 /nfs/dbraw/zinc/29/07/03/274290703.db2.gz BNYBNUGARWYVBA-HNNXBMFYSA-N 0 3 333.388 2.107 20 5 EEBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566437 274374427 /nfs/dbraw/zinc/37/44/27/274374427.db2.gz CYYMWNXMKAIBPA-PXAZEXFGSA-N 0 3 332.356 2.484 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000371349669 274594426 /nfs/dbraw/zinc/59/44/26/274594426.db2.gz LCLUPJQNMGKYAP-XJKSGUPXSA-N 0 3 336.411 2.196 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN(C)CCOC ZINC000289603209 275131694 /nfs/dbraw/zinc/13/16/94/275131694.db2.gz ABRPZDFABHWFMK-UHFFFAOYSA-N 0 3 338.408 2.247 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000292168737 275387446 /nfs/dbraw/zinc/38/74/46/275387446.db2.gz JTYUFKMGWYXSKW-GOSISDBHSA-N 0 3 340.383 2.311 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000151858616 275620066 /nfs/dbraw/zinc/62/00/66/275620066.db2.gz FOVVCUBVQRCNDH-UHFFFAOYSA-N 0 3 325.434 2.486 20 5 EEBDHN CN1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344980744 277153800 /nfs/dbraw/zinc/15/38/00/277153800.db2.gz WLYGBNMQVPYTOJ-GJZGRUSLSA-N 0 3 325.796 2.153 20 5 EEBDHN CNc1nc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000454247929 277303961 /nfs/dbraw/zinc/30/39/61/277303961.db2.gz UXVKEHNFLBZSOL-OAHLLOKOSA-N 0 3 343.387 2.064 20 5 EEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336849957 277562248 /nfs/dbraw/zinc/56/22/48/277562248.db2.gz UVYBAVVPZAYEBQ-VIFPVBQESA-N 0 3 335.813 2.044 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000420468527 278744414 /nfs/dbraw/zinc/74/44/14/278744414.db2.gz OFGNBCMOJNFCQX-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160946289 311360073 /nfs/dbraw/zinc/36/00/73/311360073.db2.gz FPVHUKILHVQQKY-CQSZACIVSA-N 0 3 345.403 2.141 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C ZINC000331302729 311836139 /nfs/dbraw/zinc/83/61/39/311836139.db2.gz XNQKZRIFIOUSCR-GFCCVEGCSA-N 0 3 343.449 2.158 20 5 EEBDHN O=[N+]([O-])c1cnc(NCCCN2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000413067264 312780711 /nfs/dbraw/zinc/78/07/11/312780711.db2.gz IKTRHLANYFFATH-UHFFFAOYSA-N 0 3 348.325 2.267 20 5 EEBDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025492 314029564 /nfs/dbraw/zinc/02/95/64/314029564.db2.gz QXZLJVCZDCRGRN-STQMWFEESA-N 0 3 338.408 2.091 20 5 EEBDHN CC[N@H+](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444162877 315277784 /nfs/dbraw/zinc/27/77/84/315277784.db2.gz CBCHGQGTAPIACW-UHFFFAOYSA-N 0 3 349.840 2.257 20 5 EEBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444162877 315277788 /nfs/dbraw/zinc/27/77/88/315277788.db2.gz CBCHGQGTAPIACW-UHFFFAOYSA-N 0 3 349.840 2.257 20 5 EEBDHN COC(=O)NCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496756763 316246626 /nfs/dbraw/zinc/24/66/26/316246626.db2.gz UDPBROKSPJIPTI-HZMBPMFUSA-N 0 3 342.323 2.211 20 5 EEBDHN COc1ccc(CC(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000524312527 317013788 /nfs/dbraw/zinc/01/37/88/317013788.db2.gz XIEWPTYVUWMPIN-ZDUSSCGKSA-N 0 3 335.404 2.137 20 5 EEBDHN CC[C@H](CSC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578316171 320307023 /nfs/dbraw/zinc/30/70/23/320307023.db2.gz PPONSBXUBDQPFG-LLVKDONJSA-N 0 3 332.447 2.100 20 5 EEBDHN CN(C)CC1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000296183887 465108187 /nfs/dbraw/zinc/10/81/87/465108187.db2.gz LSQLVSYTIYGMNA-UHFFFAOYSA-N 0 3 333.388 2.158 20 5 EEBDHN COC(=O)CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000336999875 465141413 /nfs/dbraw/zinc/14/14/13/465141413.db2.gz RKZXCUNNJDGTJN-UHFFFAOYSA-N 0 3 349.387 2.199 20 5 EEBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517617 465197864 /nfs/dbraw/zinc/19/78/64/465197864.db2.gz OLLLAFJJGMHRCF-KBPBESRZSA-N 0 3 331.376 2.468 20 5 EEBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000074102829 462554738 /nfs/dbraw/zinc/55/47/38/462554738.db2.gz UXVOZKWDYGUZRR-MRXNPFEDSA-N 0 3 328.372 2.490 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270864 462747969 /nfs/dbraw/zinc/74/79/69/462747969.db2.gz UDWBSBNVZLOMTD-VXGBXAGGSA-N 0 3 344.433 2.467 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000130407284 462754071 /nfs/dbraw/zinc/75/40/71/462754071.db2.gz IABAHCQAFWVRMK-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN CCN(C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116763308 462771333 /nfs/dbraw/zinc/77/13/33/462771333.db2.gz YGWLIWRPMSEQQI-UHFFFAOYSA-N 0 3 329.784 2.085 20 5 EEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119386832 462896568 /nfs/dbraw/zinc/89/65/68/462896568.db2.gz WWULDOOILPIADN-UHFFFAOYSA-N 0 3 343.449 2.337 20 5 EEBDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049969148 462980506 /nfs/dbraw/zinc/98/05/06/462980506.db2.gz QAWSSCHWIWVRIT-CQSZACIVSA-N 0 3 334.420 2.195 20 5 EEBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093898934 463052818 /nfs/dbraw/zinc/05/28/18/463052818.db2.gz CZJCLCNGCOKGTI-SECBINFHSA-N 0 3 344.209 2.171 20 5 EEBDHN CN1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471946 468340484 /nfs/dbraw/zinc/34/04/84/468340484.db2.gz DZMBJRDMGLWUKG-MRXNPFEDSA-N 0 3 348.447 2.181 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000053557765 463174868 /nfs/dbraw/zinc/17/48/68/463174868.db2.gz VTXCMOSQNRXLHC-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135635670 463187339 /nfs/dbraw/zinc/18/73/39/463187339.db2.gz CEJVRMOLBNWXOX-SJCJKPOMSA-N 0 3 344.415 2.417 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000079772898 463248687 /nfs/dbraw/zinc/24/86/87/463248687.db2.gz IIHWPFMQMAWVKE-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(CCc2ccccc2)CC1 ZINC000029624750 463265839 /nfs/dbraw/zinc/26/58/39/463265839.db2.gz JCOIRUCDUAHQNS-UHFFFAOYSA-N 0 3 329.404 2.447 20 5 EEBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000151127246 463481303 /nfs/dbraw/zinc/48/13/03/463481303.db2.gz RPOUDDJPWCEMOZ-MRXNPFEDSA-N 0 3 334.420 2.340 20 5 EEBDHN CN1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000108332683 463598601 /nfs/dbraw/zinc/59/86/01/463598601.db2.gz OCAQXLWQZVZNHD-GFCCVEGCSA-N 0 3 332.404 2.241 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000193401264 463710136 /nfs/dbraw/zinc/71/01/36/463710136.db2.gz FRXZXTBJKMUFMF-UHFFFAOYSA-N 0 3 348.403 2.029 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000177805962 463796013 /nfs/dbraw/zinc/79/60/13/463796013.db2.gz CETWTTZFZRFIHP-CABCVRRESA-N 0 3 347.415 2.449 20 5 EEBDHN CCOc1ccc([C@@H](C)NCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287146537 463813173 /nfs/dbraw/zinc/81/31/73/463813173.db2.gz AZGFNPAHUBCLAP-GFCCVEGCSA-N 0 3 326.393 2.432 20 5 EEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185901405 463901726 /nfs/dbraw/zinc/90/17/26/463901726.db2.gz IQTIMMYSOYVFAE-MRXNPFEDSA-N 0 3 347.802 2.477 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000172417065 464074967 /nfs/dbraw/zinc/07/49/67/464074967.db2.gz WQLIMHDETGXXQW-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1C ZINC000172591365 464112710 /nfs/dbraw/zinc/11/27/10/464112710.db2.gz LKXWTCACZNUFCC-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN Cc1n[nH]c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000270018415 464161256 /nfs/dbraw/zinc/16/12/56/464161256.db2.gz UOYGABXFERZONS-UHFFFAOYSA-N 0 3 345.403 2.267 20 5 EEBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCCO2 ZINC000180615150 464349270 /nfs/dbraw/zinc/34/92/70/464349270.db2.gz ZAKHYNGNAOBIMG-CYBMUJFWSA-N 0 3 332.360 2.303 20 5 EEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000237848140 464388532 /nfs/dbraw/zinc/38/85/32/464388532.db2.gz DEQZULYBMWRIMG-UHFFFAOYSA-N 0 3 347.824 2.188 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285044337 464436236 /nfs/dbraw/zinc/43/62/36/464436236.db2.gz IJRHPGSKRXTPLT-NSHDSACASA-N 0 3 337.376 2.101 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000181143107 464449948 /nfs/dbraw/zinc/44/99/48/464449948.db2.gz CBZXZHDKOGSWTO-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000281448081 464459084 /nfs/dbraw/zinc/45/90/84/464459084.db2.gz FBKQJKCXUZQNCL-HOCLYGCPSA-N 0 3 347.415 2.225 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189948895 464569269 /nfs/dbraw/zinc/56/92/69/464569269.db2.gz UGBYYCWVAREJDT-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246696113 464612691 /nfs/dbraw/zinc/61/26/91/464612691.db2.gz IVMDIJCMKIQPEW-GXFFZTMASA-N 0 3 340.330 2.123 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272570037 464662579 /nfs/dbraw/zinc/66/25/79/464662579.db2.gz FQXWBRYQDUVPQP-BDJLRTHQSA-N 0 3 328.372 2.242 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])cc1F ZINC000295438758 464834128 /nfs/dbraw/zinc/83/41/28/464834128.db2.gz XAGGIQKDVOKBKL-MNOVXSKESA-N 0 3 337.351 2.051 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC000295636639 464911799 /nfs/dbraw/zinc/91/17/99/464911799.db2.gz PEUPSAAFYIRBNF-UHFFFAOYSA-N 0 3 343.387 2.199 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000344776557 465789770 /nfs/dbraw/zinc/78/97/70/465789770.db2.gz SELATYBRUZYTMM-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000348953143 465889031 /nfs/dbraw/zinc/88/90/31/465889031.db2.gz XWLJPEWKKTVWEQ-OAHLLOKOSA-N 0 3 333.388 2.085 20 5 EEBDHN CN(C[C@@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118027 465979779 /nfs/dbraw/zinc/97/97/79/465979779.db2.gz AYQSMNDCVAMPGY-XJKSGUPXSA-N 0 3 343.387 2.083 20 5 EEBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000569334260 468475294 /nfs/dbraw/zinc/47/52/94/468475294.db2.gz WGLXZCSYNXFAIZ-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331727302 466220639 /nfs/dbraw/zinc/22/06/39/466220639.db2.gz NXXOQFJWFFPRNU-YOEHRIQHSA-N 0 3 345.403 2.083 20 5 EEBDHN CO[C@]1(C)C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852156 466384653 /nfs/dbraw/zinc/38/46/53/466384653.db2.gz PSDCCKXNSMSKFG-HDMKZQKVSA-N 0 3 347.415 2.493 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237555 466462295 /nfs/dbraw/zinc/46/22/95/466462295.db2.gz SXIDISQUPBUZOZ-INIZCTEOSA-N 0 3 335.404 2.233 20 5 EEBDHN CC(C)(C)OC(=O)[C@@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000362106241 466561183 /nfs/dbraw/zinc/56/11/83/466561183.db2.gz LKOICGQORQEVMT-LKUPDRCFSA-N 0 3 336.388 2.290 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCNCC1(C)C ZINC000591678134 468501371 /nfs/dbraw/zinc/50/13/71/468501371.db2.gz KEVSUSHATUZAOY-SNVBAGLBSA-N 0 3 341.795 2.226 20 5 EEBDHN CCOc1cccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000364943304 466724581 /nfs/dbraw/zinc/72/45/81/466724581.db2.gz KYHPVRPDJYPDEE-OAHLLOKOSA-N 0 3 348.447 2.210 20 5 EEBDHN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000365928620 466991642 /nfs/dbraw/zinc/99/16/42/466991642.db2.gz ORRHDWXCMRBCMG-HZSPNIEDSA-N 0 3 349.435 2.216 20 5 EEBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000432772825 467262597 /nfs/dbraw/zinc/26/25/97/467262597.db2.gz ALWSUWWSHLXDSF-AWEZNQCLSA-N 0 3 348.321 2.499 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000452088616 467317034 /nfs/dbraw/zinc/31/70/34/467317034.db2.gz RWLWQXITMHODOH-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433836341 467357901 /nfs/dbraw/zinc/35/79/01/467357901.db2.gz NXWFKGWFVUTLST-VXGBXAGGSA-N 0 3 337.424 2.434 20 5 EEBDHN COc1cc(CNCCc2cnc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000453603288 467502167 /nfs/dbraw/zinc/50/21/67/467502167.db2.gz XBQKOGKZIWGVJL-UHFFFAOYSA-N 0 3 332.360 2.043 20 5 EEBDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000420924697 467515720 /nfs/dbraw/zinc/51/57/20/467515720.db2.gz KGVYXFVUOYOJDF-CHWSQXEVSA-N 0 3 338.408 2.234 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000457127252 467761084 /nfs/dbraw/zinc/76/10/84/467761084.db2.gz ROLHCRJCMZMYBH-INIZCTEOSA-N 0 3 344.415 2.491 20 5 EEBDHN Cc1cc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450790755 467908400 /nfs/dbraw/zinc/90/84/00/467908400.db2.gz HBIABNLFVUNQEK-OKILXGFUSA-N 0 3 344.415 2.343 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000488902208 468110856 /nfs/dbraw/zinc/11/08/56/468110856.db2.gz ONABZRZWVCRHLG-CQSZACIVSA-N 0 3 346.362 2.349 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN([C@@H]4CCC[C@H]4O)CC3)ccnc21 ZINC000590079877 468212471 /nfs/dbraw/zinc/21/24/71/468212471.db2.gz VJCFGSKHKKCQQP-NVXWUHKLSA-N 0 3 342.399 2.178 20 5 EEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccsc1[N+](=O)[O-] ZINC000601110333 468745038 /nfs/dbraw/zinc/74/50/38/468745038.db2.gz ARWBRDLERKROJD-LBPRGKRZSA-N 0 3 326.422 2.011 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000583992241 468782756 /nfs/dbraw/zinc/78/27/56/468782756.db2.gz ZLOZOLWKTFYPRB-HZPDHXFCSA-N 0 3 343.383 2.219 20 5 EEBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000601623213 468941121 /nfs/dbraw/zinc/94/11/21/468941121.db2.gz YWCZAMWFEGZADW-UHFFFAOYSA-N 0 3 332.360 2.256 20 5 EEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc2c1CCNC2 ZINC000595922953 469085409 /nfs/dbraw/zinc/08/54/09/469085409.db2.gz MYQAKCYUIXOPSM-UHFFFAOYSA-N 0 3 340.383 2.082 20 5 EEBDHN C[C@H]1COCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610990610 469131453 /nfs/dbraw/zinc/13/14/53/469131453.db2.gz CNLWSIKBQQTPFU-LBPRGKRZSA-N 0 3 335.360 2.004 20 5 EEBDHN NC(=O)c1cc(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000596073275 469140189 /nfs/dbraw/zinc/14/01/89/469140189.db2.gz KJPSLGLPDNEAFG-UHFFFAOYSA-N 0 3 340.383 2.164 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000602961045 469192254 /nfs/dbraw/zinc/19/22/54/469192254.db2.gz SWFJIMSYDGSLDO-GFCCVEGCSA-N 0 3 347.419 2.058 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336909 469230672 /nfs/dbraw/zinc/23/06/72/469230672.db2.gz DYGNFFOAFUCVJV-GDZNZVCISA-N 0 3 337.420 2.363 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603224951 469315364 /nfs/dbraw/zinc/31/53/64/469315364.db2.gz WPIVSFOSKTZRSO-UHFFFAOYSA-N 0 3 333.367 2.402 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCO)C(C)(C)C1 ZINC000615842424 469325628 /nfs/dbraw/zinc/32/56/28/469325628.db2.gz XGHBKVXTNYDVQZ-RVDMUPIBSA-N 0 3 333.432 2.387 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000604475001 469481399 /nfs/dbraw/zinc/48/13/99/469481399.db2.gz SFYPCMWELQJKHN-SFHVURJKSA-N 0 3 349.431 2.160 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000619758797 469677726 /nfs/dbraw/zinc/67/77/26/469677726.db2.gz KRLLCRAFKUYKMH-INIZCTEOSA-N 0 3 346.431 2.263 20 5 EEBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000610336853 470005152 /nfs/dbraw/zinc/00/51/52/470005152.db2.gz PFFJTTFCNPBZDG-BZPMIXESSA-N 0 3 326.418 2.160 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594202832 485602937 /nfs/dbraw/zinc/60/29/37/485602937.db2.gz SKKAWRUVFIOXOA-KGLIPLIRSA-N 0 3 333.388 2.107 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814027 534226718 /nfs/dbraw/zinc/22/67/18/534226718.db2.gz CDRGPSYXIOMNAK-ZFWWWQNUSA-N 0 3 338.404 2.110 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCN2CCc3sccc3C2)cc1 ZINC000776273954 577456267 /nfs/dbraw/zinc/45/62/67/577456267.db2.gz BSFMSHKXMWYPKJ-MRXNPFEDSA-N 0 3 347.440 2.338 20 5 EEBDHN CC(C)CNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574462 577462840 /nfs/dbraw/zinc/46/28/40/577462840.db2.gz HUDJCGDGJIUGMD-QGZVFWFLSA-N 0 3 349.431 2.112 20 5 EEBDHN Cc1noc([C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579508 577463007 /nfs/dbraw/zinc/46/30/07/577463007.db2.gz MCACGCIJNKJHOL-HIFRSBDPSA-N 0 3 332.360 2.199 20 5 EEBDHN CCCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580283 577463014 /nfs/dbraw/zinc/46/30/14/577463014.db2.gz SFJJGJDLNGBKPN-DOTOQJQBSA-N 0 3 349.431 2.257 20 5 EEBDHN Cc1nn(CN2CCN(C3CCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764987360 577492376 /nfs/dbraw/zinc/49/23/76/577492376.db2.gz JIZVMGHYFQMIMG-UHFFFAOYSA-N 0 3 329.404 2.381 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000742413103 577872660 /nfs/dbraw/zinc/87/26/60/577872660.db2.gz ZLRWQFNVHBKSCQ-SKDRFNHKSA-N 0 3 338.364 2.198 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724988 578123083 /nfs/dbraw/zinc/12/30/83/578123083.db2.gz PIGWXGPRSLHUEO-GXSJLCMTSA-N 0 3 336.348 2.024 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736572701 578212334 /nfs/dbraw/zinc/21/23/34/578212334.db2.gz ZYKAOIOSZXFQDA-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736572701 578212335 /nfs/dbraw/zinc/21/23/35/578212335.db2.gz ZYKAOIOSZXFQDA-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985290193 686237019 /nfs/dbraw/zinc/23/70/19/686237019.db2.gz OJAKIEBEMVUOPC-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000893484994 692311829 /nfs/dbraw/zinc/31/18/29/692311829.db2.gz RBTZSBRSOHIALB-HNNXBMFYSA-N 0 3 345.403 2.031 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@](O)(c2ccccc2)C1 ZINC000879036757 1200820314 /nfs/dbraw/zinc/82/03/14/1200820314.db2.gz QIHWMZBMDGPQGK-KRWDZBQOSA-N 0 3 330.388 2.083 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095606639 1205889491 /nfs/dbraw/zinc/88/94/91/1205889491.db2.gz WVQVVRORCHZNJR-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN O=C(/C=C/C1CC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048746855 1238502028 /nfs/dbraw/zinc/50/20/28/1238502028.db2.gz YRORTIVETPBNEC-COCHJFRFSA-N 0 3 341.411 2.451 20 5 EEBDHN Cc1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001152318835 1284476991 /nfs/dbraw/zinc/47/69/91/1284476991.db2.gz WXGGOOQNDKSYST-UHFFFAOYSA-N 0 3 333.413 2.413 20 5 EEBDHN COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000861034588 1295225685 /nfs/dbraw/zinc/22/56/85/1295225685.db2.gz YQKNDYWXCWYBTM-ZDUSSCGKSA-N 0 3 347.371 2.344 20 5 EEBDHN COCC[N@H+]1CCC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000861034588 1295225696 /nfs/dbraw/zinc/22/56/96/1295225696.db2.gz YQKNDYWXCWYBTM-ZDUSSCGKSA-N 0 3 347.371 2.344 20 5 EEBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc([O-])c1I ZINC001227383104 1301808268 /nfs/dbraw/zinc/80/82/68/1301808268.db2.gz ZBQXBVRDHQZWGG-VIFPVBQESA-O 0 3 336.193 2.470 20 5 EEBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155254935 1317525123 /nfs/dbraw/zinc/52/51/23/1317525123.db2.gz PJZNYMFRZMYOEV-MRVPVSSYSA-N 0 3 333.735 2.240 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C2 ZINC001254592672 1318135972 /nfs/dbraw/zinc/13/59/72/1318135972.db2.gz FNMRXVYNIKAPJE-BNOWGMLFSA-N 0 3 330.306 2.165 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001254610942 1318143460 /nfs/dbraw/zinc/14/34/60/1318143460.db2.gz MVFLVEXJIDCTPE-MRXNPFEDSA-N 0 3 340.383 2.395 20 5 EEBDHN CN(C)C1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001163942737 1321253521 /nfs/dbraw/zinc/25/35/21/1321253521.db2.gz MZSWCOJJAROVMP-UHFFFAOYSA-N 0 3 333.779 2.455 20 5 EEBDHN CC(C)c1ncc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001263501913 1322485416 /nfs/dbraw/zinc/48/54/16/1322485416.db2.gz GBXBGRKHLYXCDM-ZETCQYMHSA-N 0 3 332.154 2.185 20 5 EEBDHN Cn1cc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCC2)n1 ZINC001306929703 1331501040 /nfs/dbraw/zinc/50/10/40/1331501040.db2.gz BLJNJRJJHOHJIU-UHFFFAOYSA-N 0 3 325.438 2.102 20 5 EEBDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001318058816 1332466371 /nfs/dbraw/zinc/46/63/71/1332466371.db2.gz ANPSRZGXTIBMOL-AWEZNQCLSA-N 0 3 335.404 2.484 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609099372 1351843134 /nfs/dbraw/zinc/84/31/34/1351843134.db2.gz BCMTWMVNHYEXPW-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609099372 1351843136 /nfs/dbraw/zinc/84/31/36/1351843136.db2.gz BCMTWMVNHYEXPW-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC001609602217 1352031522 /nfs/dbraw/zinc/03/15/22/1352031522.db2.gz RMRPZMYRHIPDQU-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC001609602217 1352031526 /nfs/dbraw/zinc/03/15/26/1352031526.db2.gz RMRPZMYRHIPDQU-UHFFFAOYSA-N 0 3 331.380 2.063 20 5 EEBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001340122106 1337125186 /nfs/dbraw/zinc/12/51/86/1337125186.db2.gz BHPMUMLWEHUOGG-CYBMUJFWSA-N 0 3 338.456 2.194 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589629457 1349013860 /nfs/dbraw/zinc/01/38/60/1349013860.db2.gz AZFVHMZCDCBLMJ-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589629457 1349013862 /nfs/dbraw/zinc/01/38/62/1349013862.db2.gz AZFVHMZCDCBLMJ-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589629457 1349013868 /nfs/dbraw/zinc/01/38/68/1349013868.db2.gz AZFVHMZCDCBLMJ-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589629457 1349013873 /nfs/dbraw/zinc/01/38/73/1349013873.db2.gz AZFVHMZCDCBLMJ-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)[NH+]1CCC(N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589712192 1349021961 /nfs/dbraw/zinc/02/19/61/1349021961.db2.gz OZFZCFHYISFITJ-UHFFFAOYSA-N 0 3 345.407 2.084 20 5 EEBDHN CC1CC[NH+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590271620 1349243569 /nfs/dbraw/zinc/24/35/69/1349243569.db2.gz JITWHDOYJIPWDR-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1CC[NH+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590271620 1349243571 /nfs/dbraw/zinc/24/35/71/1349243571.db2.gz JITWHDOYJIPWDR-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@H]1CSCCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603949164 1350812075 /nfs/dbraw/zinc/81/20/75/1350812075.db2.gz YBHMVWAHJXMOSF-JTQLQIEISA-N 0 3 334.405 2.102 20 5 EEBDHN C[C@H]1CSCCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603949164 1350812080 /nfs/dbraw/zinc/81/20/80/1350812080.db2.gz YBHMVWAHJXMOSF-JTQLQIEISA-N 0 3 334.405 2.102 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC001111811495 1371259820 /nfs/dbraw/zinc/25/98/20/1371259820.db2.gz XAOZKBNFWIRSBS-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CCn1ccnc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001751987713 1406164257 /nfs/dbraw/zinc/16/42/57/1406164257.db2.gz NOEYYMIYLDBWLN-UHFFFAOYSA-N 0 3 345.403 2.063 20 5 EEBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954008 790773748 /nfs/dbraw/zinc/77/37/48/790773748.db2.gz FGIBZKXROSXYFM-AQUOVQTQSA-N 0 3 341.795 2.324 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107285664 786723610 /nfs/dbraw/zinc/72/36/10/786723610.db2.gz PYLMMJVPAVEHRY-NSCUHMNNSA-N 0 3 347.350 2.092 20 5 EEBDHN CN(C)C1(C(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001107379916 787071239 /nfs/dbraw/zinc/07/12/39/787071239.db2.gz OXMBBAIBYNCRMV-ARJAWSKDSA-N 0 3 332.404 2.163 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847148 788336170 /nfs/dbraw/zinc/33/61/70/788336170.db2.gz WQTFYKHHTGISLI-GDBMZVCRSA-N 0 3 335.360 2.390 20 5 EEBDHN CC([C@@H](OC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845882627 789973663 /nfs/dbraw/zinc/97/36/63/789973663.db2.gz PGAVILPKDDOJAL-GLKRBJQHSA-N 0 3 338.335 2.134 20 5 EEBDHN Cc1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)ncc1[N+](=O)[O-] ZINC001212666164 797011799 /nfs/dbraw/zinc/01/17/99/797011799.db2.gz ZTYUSPKYCLCPCO-UHFFFAOYSA-N 0 3 338.327 2.056 20 5 EEBDHN CCOC(=O)CC1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172899745 797129138 /nfs/dbraw/zinc/12/91/38/797129138.db2.gz CECBXAVEWKSAAM-HNNXBMFYSA-N 0 3 348.399 2.154 20 5 EEBDHN O=C1CC[C@@H]2CN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN12 ZINC001172912548 797170701 /nfs/dbraw/zinc/17/07/01/797170701.db2.gz BPHFMCLEBCCHFL-DOTOQJQBSA-N 0 3 329.400 2.149 20 5 EEBDHN CC(C)N(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095229919 797560423 /nfs/dbraw/zinc/56/04/23/797560423.db2.gz XLBYBCDYQXHPHF-UHFFFAOYSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001110253085 801053478 /nfs/dbraw/zinc/05/34/78/801053478.db2.gz IVMJYTXBGHBLPO-UHFFFAOYSA-N 0 3 346.431 2.448 20 5 EEBDHN Cc1ocnc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086039995 801997459 /nfs/dbraw/zinc/99/74/59/801997459.db2.gz POVQWOQBRNLIGO-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN C[C@H](NC[C@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504350 807554609 /nfs/dbraw/zinc/55/46/09/807554609.db2.gz CJRFWQUAOWPHEW-JSGCOSHPSA-N 0 3 331.372 2.268 20 5 EEBDHN Cc1c(CC(=O)NCCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000422732266 240199491 /nfs/dbraw/zinc/19/94/91/240199491.db2.gz NVDDEQLZJJKGQD-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451493507 243132882 /nfs/dbraw/zinc/13/28/82/243132882.db2.gz QJNJNPPIBJICLJ-JCURWCKSSA-N 0 3 345.399 2.389 20 5 EEBDHN C[C@@H]1SCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000253486576 244002034 /nfs/dbraw/zinc/00/20/34/244002034.db2.gz YFMZUQWCTUSOLK-SGMGOOAPSA-N 0 3 326.418 2.160 20 5 EEBDHN CCN1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000104955177 204126343 /nfs/dbraw/zinc/12/63/43/204126343.db2.gz MWRRDLQVKSICHR-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN CC1(CO)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000131588961 205296467 /nfs/dbraw/zinc/29/64/67/205296467.db2.gz SNLWHFCELULMHJ-UHFFFAOYSA-N 0 3 339.367 2.157 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000156151101 206057916 /nfs/dbraw/zinc/05/79/16/206057916.db2.gz IZVXVVBFEIRHGH-UHFFFAOYSA-N 0 3 334.376 2.352 20 5 EEBDHN CN(CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000265306794 247389860 /nfs/dbraw/zinc/38/98/60/247389860.db2.gz ZURCTPGXLSBIHS-UHFFFAOYSA-N 0 3 341.795 2.228 20 5 EEBDHN C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266571888 248365986 /nfs/dbraw/zinc/36/59/86/248365986.db2.gz DBZAEFXEXNRKOT-MRRJBJDNSA-N 0 3 348.378 2.374 20 5 EEBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCN3CCOCC3)CC2)cc1 ZINC000174240864 207002755 /nfs/dbraw/zinc/00/27/55/207002755.db2.gz YHPCIZDOMQJLHB-UHFFFAOYSA-N 0 3 349.431 2.160 20 5 EEBDHN CNC(=O)CC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175030433 207087204 /nfs/dbraw/zinc/08/72/04/207087204.db2.gz MGJMZKLBMZAIGU-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000176135349 207193003 /nfs/dbraw/zinc/19/30/03/207193003.db2.gz IRGIGIPRCJIEAI-VXGBXAGGSA-N 0 3 341.433 2.276 20 5 EEBDHN CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271137611 295644061 /nfs/dbraw/zinc/64/40/61/295644061.db2.gz OICZDORUCKZKRP-HUUCEWRRSA-N 0 3 337.445 2.031 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268534052 252001609 /nfs/dbraw/zinc/00/16/09/252001609.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268534052 252001613 /nfs/dbraw/zinc/00/16/13/252001613.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268534052 252001616 /nfs/dbraw/zinc/00/16/16/252001616.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN C[C@@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@H]1C1CC1 ZINC000273071103 256262663 /nfs/dbraw/zinc/26/26/63/256262663.db2.gz OJLDAUVQKXUVNN-ZWKOTPCHSA-N 0 3 345.399 2.031 20 5 EEBDHN COC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000273163936 256272127 /nfs/dbraw/zinc/27/21/27/256272127.db2.gz AWNXFJOJZVJWRS-UHFFFAOYSA-N 0 3 325.340 2.173 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274031255 256347659 /nfs/dbraw/zinc/34/76/59/256347659.db2.gz NURWSSQCMNVCLN-VHSXEESVSA-N 0 3 327.768 2.201 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273483864 256300496 /nfs/dbraw/zinc/30/04/96/256300496.db2.gz JJSDGLYYQIHTJO-HUUCEWRRSA-N 0 3 335.429 2.247 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475309 142360752 /nfs/dbraw/zinc/36/07/52/142360752.db2.gz LIBTUJKPNXKFIA-INIZCTEOSA-N 0 3 334.420 2.311 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000173258905 152154815 /nfs/dbraw/zinc/15/48/15/152154815.db2.gz ZGPIOKQYFARKLH-CYBMUJFWSA-N 0 3 349.435 2.265 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1Cc1ccccc1 ZINC000342451452 161066409 /nfs/dbraw/zinc/06/64/09/161066409.db2.gz PIYJGCPWDQAUPA-UKRRQHHQSA-N 0 3 342.399 2.326 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000342707297 161084556 /nfs/dbraw/zinc/08/45/56/161084556.db2.gz YMOWRJQUNDEOIL-VHSXEESVSA-N 0 3 339.446 2.081 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000345017028 161264136 /nfs/dbraw/zinc/26/41/36/161264136.db2.gz RMLTUFFUZLXRCH-UONOGXRCSA-N 0 3 335.404 2.271 20 5 EEBDHN COc1c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981483 163040579 /nfs/dbraw/zinc/04/05/79/163040579.db2.gz OHXVIBUUCPFECT-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000355342062 163153320 /nfs/dbraw/zinc/15/33/20/163153320.db2.gz PBFVIMAZBLKUIJ-KRWDZBQOSA-N 0 3 341.367 2.414 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819651 164385262 /nfs/dbraw/zinc/38/52/62/164385262.db2.gz SXBZUXSTAAXMIK-WBMJQRKESA-N 0 3 328.372 2.173 20 5 EEBDHN O=C(CNC1(C2CC2)CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375698898 167177878 /nfs/dbraw/zinc/17/78/78/167177878.db2.gz SXGAFACGDQIHRU-UHFFFAOYSA-N 0 3 345.399 2.033 20 5 EEBDHN COc1cc(N[C@@H](C)CCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000274441088 269033659 /nfs/dbraw/zinc/03/36/59/269033659.db2.gz GTLNMPAMQSDULR-LBPRGKRZSA-N 0 3 340.399 2.180 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280196537 269337683 /nfs/dbraw/zinc/33/76/83/269337683.db2.gz PKISIDXXJXZPQB-SNVBAGLBSA-N 0 3 329.759 2.140 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271787476 274152215 /nfs/dbraw/zinc/15/22/15/274152215.db2.gz KXKJEYMNKUBFFM-NEPJUHHUSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)CN1CCO ZINC000419002698 274364331 /nfs/dbraw/zinc/36/43/31/274364331.db2.gz PWLLGJNQRNEWDB-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN CN(C)[C@]1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCSC1 ZINC000288446230 275059244 /nfs/dbraw/zinc/05/92/44/275059244.db2.gz PBLRAYMHUFTPFT-ZDUSSCGKSA-N 0 3 339.446 2.449 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000288451426 275059847 /nfs/dbraw/zinc/05/98/47/275059847.db2.gz ZACBZZPDTMWTFQ-TZMCWYRMSA-N 0 3 328.372 2.316 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccnc(OCCN(C)C)c1 ZINC000288976037 275093880 /nfs/dbraw/zinc/09/38/80/275093880.db2.gz UWGSXUMOEJPSNN-UHFFFAOYSA-N 0 3 348.407 2.067 20 5 EEBDHN COc1cc(CNCCc2cccnc2OC)c([N+](=O)[O-])cc1OC ZINC000289938327 275163442 /nfs/dbraw/zinc/16/34/42/275163442.db2.gz WRNGPBCTNYJVOC-UHFFFAOYSA-N 0 3 347.371 2.348 20 5 EEBDHN CC(C)N(C)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290788234 275239984 /nfs/dbraw/zinc/23/99/84/275239984.db2.gz XFOXNJKWJZNKCI-LLVKDONJSA-N 0 3 329.422 2.139 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291621993 275323847 /nfs/dbraw/zinc/32/38/47/275323847.db2.gz CTWJIVDHRQBRDB-RTBURBONSA-N 0 3 342.395 2.264 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267364619 276847547 /nfs/dbraw/zinc/84/75/47/276847547.db2.gz WYVVQKVLDOUFHQ-CDVVCGDMSA-N 0 3 335.429 2.162 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000160425261 288075434 /nfs/dbraw/zinc/07/54/34/288075434.db2.gz XRILTPLYYULVSY-RISCZKNCSA-N 0 3 332.404 2.256 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932785 288078969 /nfs/dbraw/zinc/07/89/69/288078969.db2.gz GUYXHVDVHOHSNR-BXUZGUMPSA-N 0 3 330.388 2.488 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CCO)COC ZINC000271020808 280156507 /nfs/dbraw/zinc/15/65/07/280156507.db2.gz AJSKMNHMDGTVEL-QWHCGFSZSA-N 0 3 328.434 2.453 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000293656713 293262371 /nfs/dbraw/zinc/26/23/71/293262371.db2.gz HKKJCNULKPCNPL-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN Cc1cc(OCC(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294187267 293391537 /nfs/dbraw/zinc/39/15/37/293391537.db2.gz PJEBMYOGHXUAGK-SFHVURJKSA-N 0 3 347.415 2.226 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215200 293397591 /nfs/dbraw/zinc/39/75/91/293397591.db2.gz QTKSRSVHDAHOQG-SFHVURJKSA-N 0 3 347.415 2.308 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285810 293936691 /nfs/dbraw/zinc/93/66/91/293936691.db2.gz ZECZOMGRUAWERA-XFBWCDHKSA-N 0 3 335.404 2.207 20 5 EEBDHN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000301916604 294910507 /nfs/dbraw/zinc/91/05/07/294910507.db2.gz ADGHAYJJLGJFBV-VIFPVBQESA-N 0 3 349.478 2.448 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N(C)C ZINC000331614025 311879796 /nfs/dbraw/zinc/87/97/96/311879796.db2.gz PMFLZYQQGSLDPH-GJZGRUSLSA-N 0 3 348.428 2.194 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000421762735 314158115 /nfs/dbraw/zinc/15/81/15/314158115.db2.gz OCIOSKORAMUJGR-HNNXBMFYSA-N 0 3 349.431 2.394 20 5 EEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccccc1)N(C)C ZINC000546024365 318241536 /nfs/dbraw/zinc/24/15/36/318241536.db2.gz RTSOKCFHEGODAU-WBMJQRKESA-N 0 3 330.388 2.355 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCS(=O)(=O)C1 ZINC000558259779 318704644 /nfs/dbraw/zinc/70/46/44/318704644.db2.gz XFMBCNPOQMFFEW-CHWSQXEVSA-N 0 3 326.418 2.379 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339061127 465060093 /nfs/dbraw/zinc/06/00/93/465060093.db2.gz WMCGHAUYYAZSRV-SECBINFHSA-N 0 3 331.294 2.295 20 5 EEBDHN O=C(NCCNc1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339086965 465074792 /nfs/dbraw/zinc/07/47/92/465074792.db2.gz QCMGQUKCEGMIEQ-UHFFFAOYSA-N 0 3 335.751 2.299 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)CC2(CO)CC2)c1 ZINC000341974589 465279488 /nfs/dbraw/zinc/27/94/88/465279488.db2.gz QVDBVCXAPOTZBX-UHFFFAOYSA-N 0 3 330.388 2.066 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000074041623 462546703 /nfs/dbraw/zinc/54/67/03/462546703.db2.gz XHOUJHQRSFQRHB-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C1CC1 ZINC000128349162 462631174 /nfs/dbraw/zinc/63/11/74/462631174.db2.gz YOMHECIDZARQFT-NSHDSACASA-N 0 3 330.388 2.218 20 5 EEBDHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000128514554 462646858 /nfs/dbraw/zinc/64/68/58/462646858.db2.gz ACOOJRPLAODONQ-SNVBAGLBSA-N 0 3 327.381 2.500 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000115807714 462729561 /nfs/dbraw/zinc/72/95/61/462729561.db2.gz ARKSKJXFUQZDSK-HNNXBMFYSA-N 0 3 334.420 2.121 20 5 EEBDHN Cc1c([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000090182942 462784387 /nfs/dbraw/zinc/78/43/87/462784387.db2.gz VMPKMENQMOTDPJ-GFCCVEGCSA-N 0 3 326.418 2.379 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000133350349 462921694 /nfs/dbraw/zinc/92/16/94/462921694.db2.gz UCTYALKKZVGMRE-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000066924624 462947741 /nfs/dbraw/zinc/94/77/41/462947741.db2.gz NZZWVDAVQWFFSR-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000077966136 463075761 /nfs/dbraw/zinc/07/57/61/463075761.db2.gz NFOOILSWZDOCOB-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN Cc1n[nH]c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000068386142 463129588 /nfs/dbraw/zinc/12/95/88/463129588.db2.gz VOKJEVTXNHKMOI-LLVKDONJSA-N 0 3 345.403 2.486 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCn1ccnc1 ZINC000124457286 463426266 /nfs/dbraw/zinc/42/62/66/463426266.db2.gz WJRVWHNWGLIMIJ-ZDUSSCGKSA-N 0 3 331.376 2.140 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000164071823 463613836 /nfs/dbraw/zinc/61/38/36/463613836.db2.gz JJTXGZNCAIYPSP-QMTHXVAHSA-N 0 3 339.342 2.429 20 5 EEBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1C ZINC000043085838 463619263 /nfs/dbraw/zinc/61/92/63/463619263.db2.gz CYDYHXBYAJUJMQ-RYUDHWBXSA-N 0 3 345.403 2.464 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(C2CCOCC2)CC1 ZINC000255872483 463750834 /nfs/dbraw/zinc/75/08/34/463750834.db2.gz OERXHKODQQHWBO-HYXAFXHYSA-N 0 3 331.416 2.405 20 5 EEBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784891 463859199 /nfs/dbraw/zinc/85/91/99/463859199.db2.gz YFEQBIZJKOAJBS-RHSMWYFYSA-N 0 3 335.404 2.052 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC[C@H](C)C1 ZINC000283432757 463883518 /nfs/dbraw/zinc/88/35/18/463883518.db2.gz JIQXJPGXBOIQMG-WDEREUQCSA-N 0 3 338.383 2.166 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]2COC[C@@H]21 ZINC000590971709 468388138 /nfs/dbraw/zinc/38/81/38/468388138.db2.gz HPPPSYAARYXLFA-DOMZBBRYSA-N 0 3 347.371 2.004 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000172328395 464054370 /nfs/dbraw/zinc/05/43/70/464054370.db2.gz QAVBHVUYCIHXSW-LBPRGKRZSA-N 0 3 336.392 2.409 20 5 EEBDHN CN(C)C1(CN(C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000186970330 464085130 /nfs/dbraw/zinc/08/51/30/464085130.db2.gz MMGRNOIEHIXMJO-MRXNPFEDSA-N 0 3 346.431 2.116 20 5 EEBDHN CN1CC[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272208090 464518264 /nfs/dbraw/zinc/51/82/64/464518264.db2.gz PTRNUODGJDRUNL-PXAZEXFGSA-N 0 3 344.415 2.017 20 5 EEBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265522500 464591277 /nfs/dbraw/zinc/59/12/77/464591277.db2.gz MHOBKOAEFDSQDM-UHFFFAOYSA-N 0 3 327.816 2.081 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000285517071 464593011 /nfs/dbraw/zinc/59/30/11/464593011.db2.gz NYPKIDKXSRINDL-HNNXBMFYSA-N 0 3 332.404 2.365 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249712589 464905678 /nfs/dbraw/zinc/90/56/78/464905678.db2.gz YZHSBIIIBLSJHZ-BXUZGUMPSA-N 0 3 335.404 2.324 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000267032560 464910114 /nfs/dbraw/zinc/91/01/14/464910114.db2.gz BLGLWDVWFOBINV-QGZVFWFLSA-N 0 3 330.388 2.237 20 5 EEBDHN CN(C)C1(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000282787551 464949240 /nfs/dbraw/zinc/94/92/40/464949240.db2.gz PIVOPEVZRAXZDM-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000282927756 465004261 /nfs/dbraw/zinc/00/42/61/465004261.db2.gz ZRGLSVOUDAYDAC-ZDUSSCGKSA-N 0 3 334.420 2.261 20 5 EEBDHN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000342940725 465402726 /nfs/dbraw/zinc/40/27/26/465402726.db2.gz UNNNILFNDJMQGE-ZDUSSCGKSA-N 0 3 336.411 2.339 20 5 EEBDHN COc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759063 465494065 /nfs/dbraw/zinc/49/40/65/465494065.db2.gz PLVUDGZBJGIECW-SJORKVTESA-N 0 3 336.388 2.013 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339762091 465495106 /nfs/dbraw/zinc/49/51/06/465495106.db2.gz IUBHFAWYAYBADF-DLBZAZTESA-N 0 3 336.388 2.013 20 5 EEBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824291 465534200 /nfs/dbraw/zinc/53/42/00/465534200.db2.gz FKNUUSQBHZYHBW-NVXWUHKLSA-N 0 3 338.404 2.081 20 5 EEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335466 465724437 /nfs/dbraw/zinc/72/44/37/465724437.db2.gz LFBSKENRBRUMOE-RDJZCZTQSA-N 0 3 330.388 2.416 20 5 EEBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000569184503 468450523 /nfs/dbraw/zinc/45/05/23/468450523.db2.gz PNNNKQBWCZAGLW-INIZCTEOSA-N 0 3 347.415 2.210 20 5 EEBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119417 465777831 /nfs/dbraw/zinc/77/78/31/465777831.db2.gz IQWMKRLTAMLGRW-NHYWBVRUSA-N 0 3 335.335 2.219 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000593995828 468455535 /nfs/dbraw/zinc/45/55/35/468455535.db2.gz AHQZAXSIJKDULN-KRWDZBQOSA-N 0 3 349.431 2.160 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176629 465963850 /nfs/dbraw/zinc/96/38/50/465963850.db2.gz KDXZHWCYMHLWEZ-VBQJREDUSA-N 0 3 347.415 2.162 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660403 466162976 /nfs/dbraw/zinc/16/29/76/466162976.db2.gz AVYFQNQEYVMYDK-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN CCCN(CC)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000357808501 466228826 /nfs/dbraw/zinc/22/88/26/466228826.db2.gz OYCOZCJPAAZFJM-NSHDSACASA-N 0 3 333.392 2.776 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000591530382 468479899 /nfs/dbraw/zinc/47/98/99/468479899.db2.gz PDWRVHGJSADAFE-OAHLLOKOSA-N 0 3 347.415 2.195 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000338715423 466330574 /nfs/dbraw/zinc/33/05/74/466330574.db2.gz DWKWCBMAMMXUOB-CQSZACIVSA-N 0 3 348.355 2.368 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000332051131 466362502 /nfs/dbraw/zinc/36/25/02/466362502.db2.gz NAGXOGBRMZNQCX-TZMCWYRMSA-N 0 3 330.388 2.148 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000347299431 466546908 /nfs/dbraw/zinc/54/69/08/466546908.db2.gz JJUFOOUOLAAFMI-CQSZACIVSA-N 0 3 342.396 2.293 20 5 EEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591685938 468503003 /nfs/dbraw/zinc/50/30/03/468503003.db2.gz BZIGYBUQGWHCPP-IUCAKERBSA-N 0 3 335.257 2.043 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000417714486 466915736 /nfs/dbraw/zinc/91/57/36/466915736.db2.gz HPECYHSVSMNDPO-ZIAGYGMSSA-N 0 3 334.420 2.309 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429312741 467323991 /nfs/dbraw/zinc/32/39/91/467323991.db2.gz DYTYYHQGDAOKJO-CYBMUJFWSA-N 0 3 341.367 2.304 20 5 EEBDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314164 467324584 /nfs/dbraw/zinc/32/45/84/467324584.db2.gz HPEOKAOWWGBOAH-BXUZGUMPSA-N 0 3 341.367 2.384 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000449144676 467620686 /nfs/dbraw/zinc/62/06/86/467620686.db2.gz JNENLGHOFPKMIS-JQWIXIFHSA-N 0 3 345.321 2.279 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000449939119 467748062 /nfs/dbraw/zinc/74/80/62/467748062.db2.gz IDRHNMQJOXTJTD-JSGCOSHPSA-N 0 3 333.388 2.157 20 5 EEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)ccc1OCC[NH+](C)C ZINC000458192151 467786527 /nfs/dbraw/zinc/78/65/27/467786527.db2.gz GXJMPBOEKBEHEM-UHFFFAOYSA-N 0 3 332.360 2.424 20 5 EEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCCN(C)C ZINC000458192151 467786531 /nfs/dbraw/zinc/78/65/31/467786531.db2.gz GXJMPBOEKBEHEM-UHFFFAOYSA-N 0 3 332.360 2.424 20 5 EEBDHN CC(C)[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1C ZINC000487059102 468020118 /nfs/dbraw/zinc/02/01/18/468020118.db2.gz IKEBPWTYKSSRLN-AWEZNQCLSA-N 0 3 331.376 2.421 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000488037780 468068773 /nfs/dbraw/zinc/06/87/73/468068773.db2.gz GYVQOXVNWZJLTP-INIZCTEOSA-N 0 3 334.420 2.114 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000518394776 468114828 /nfs/dbraw/zinc/11/48/28/468114828.db2.gz YUSZITYAUBCLRF-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN O=C(CNc1ccc([N+](=O)[O-])s1)NCCN1CCCCCC1 ZINC000590062597 468210760 /nfs/dbraw/zinc/21/07/60/468210760.db2.gz VVJDQHQUMAEESZ-UHFFFAOYSA-N 0 3 326.422 2.060 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195153 468507727 /nfs/dbraw/zinc/50/77/27/468507727.db2.gz CMDRULAZNYWQNF-HUUCEWRRSA-N 0 3 335.379 2.410 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597603941 468613232 /nfs/dbraw/zinc/61/32/32/468613232.db2.gz GHBITEGTCGJVPZ-OAHLLOKOSA-N 0 3 344.415 2.492 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920414 468711284 /nfs/dbraw/zinc/71/12/84/468711284.db2.gz BPXHVGZUKZMREH-ZDUSSCGKSA-N 0 3 335.404 2.271 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000595015599 468743521 /nfs/dbraw/zinc/74/35/21/468743521.db2.gz ZFIMSAIDWBCGFG-RDBSUJKOSA-N 0 3 337.420 2.363 20 5 EEBDHN COc1ccc(CC(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598262494 468810116 /nfs/dbraw/zinc/81/01/16/468810116.db2.gz LKDGRTYSPSDQPV-AWEZNQCLSA-N 0 3 349.431 2.383 20 5 EEBDHN COC(=O)c1ccnc(N(C)CC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000598601761 468928185 /nfs/dbraw/zinc/92/81/85/468928185.db2.gz VXALPTVUCHGRHW-GFCCVEGCSA-N 0 3 336.392 2.087 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000562477085 468965760 /nfs/dbraw/zinc/96/57/60/468965760.db2.gz BPPYCZOYXQIDDN-DUVNUKRYSA-N 0 3 332.404 2.090 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000602787016 469074519 /nfs/dbraw/zinc/07/45/19/469074519.db2.gz FWUQJVMGENWWNO-QGZVFWFLSA-N 0 3 344.415 2.433 20 5 EEBDHN Cc1ncc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969437 469118583 /nfs/dbraw/zinc/11/85/83/469118583.db2.gz RBSHZDXGMRQFBT-MFKMUULPSA-N 0 3 337.401 2.450 20 5 EEBDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140976 469172767 /nfs/dbraw/zinc/17/27/67/469172767.db2.gz VRPZPKPHCVKOOG-CQSZACIVSA-N 0 3 328.372 2.406 20 5 EEBDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140976 469172774 /nfs/dbraw/zinc/17/27/74/469172774.db2.gz VRPZPKPHCVKOOG-CQSZACIVSA-N 0 3 328.372 2.406 20 5 EEBDHN CN(C)CCOc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602233127 469251212 /nfs/dbraw/zinc/25/12/12/469251212.db2.gz JJNIVSKXUXWRRG-UHFFFAOYSA-N 0 3 344.371 2.207 20 5 EEBDHN CC[C@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369681 470008454 /nfs/dbraw/zinc/00/84/54/470008454.db2.gz WBJMTHOEPFXNDK-RDJZCZTQSA-N 0 3 330.388 2.162 20 5 EEBDHN CC[C@@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369680 470008683 /nfs/dbraw/zinc/00/86/83/470008683.db2.gz WBJMTHOEPFXNDK-NVXWUHKLSA-N 0 3 330.388 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CC2)cc1Cl ZINC000775135561 577430832 /nfs/dbraw/zinc/43/08/32/577430832.db2.gz BEYKIASRQXYIDS-UHFFFAOYSA-N 0 3 325.796 2.203 20 5 EEBDHN CN(CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281595 686675420 /nfs/dbraw/zinc/67/54/20/686675420.db2.gz UHFBTXQOODUGON-UHFFFAOYSA-N 0 3 328.372 2.039 20 5 EEBDHN COc1ccc(F)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132096315 1199286426 /nfs/dbraw/zinc/28/64/26/1199286426.db2.gz FHLKLKDYIUMLEE-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1OC ZINC000813108559 1201120252 /nfs/dbraw/zinc/12/02/52/1201120252.db2.gz HMNLHANIMBCYJM-NSHDSACASA-N 0 3 333.344 2.265 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)C(C)(C)C ZINC000866296660 1201486978 /nfs/dbraw/zinc/48/69/78/1201486978.db2.gz NPVKYXVCEUGMBD-LLVKDONJSA-N 0 3 346.424 2.468 20 5 EEBDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886145173 1202477096 /nfs/dbraw/zinc/47/70/96/1202477096.db2.gz QQMGOYATLHWZMS-TZMCWYRMSA-N 0 3 336.392 2.336 20 5 EEBDHN CN(C)C1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000778461806 1208271656 /nfs/dbraw/zinc/27/16/56/1208271656.db2.gz FMTQTIVBLWJRTG-UHFFFAOYSA-N 0 3 325.796 2.391 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001097191286 1243805629 /nfs/dbraw/zinc/80/56/29/1243805629.db2.gz FIEQCMWIBRYIQZ-OKILXGFUSA-N 0 3 334.420 2.303 20 5 EEBDHN C[C@@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318655 1297628578 /nfs/dbraw/zinc/62/85/78/1297628578.db2.gz XWNVHOFICRYIHT-ABAIWWIYSA-N 0 3 329.356 2.090 20 5 EEBDHN O=c1cc(O[C@@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218448669 1297667665 /nfs/dbraw/zinc/66/76/65/1297667665.db2.gz PCBDTGOEISATRF-GFCCVEGCSA-N 0 3 325.271 2.225 20 5 EEBDHN CC(C)N1CCC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367085 1302748847 /nfs/dbraw/zinc/74/88/47/1302748847.db2.gz HPBLEJRRECCEGL-LLVKDONJSA-N 0 3 332.360 2.495 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000839660545 1315227041 /nfs/dbraw/zinc/22/70/41/1315227041.db2.gz WKNIFJHSHCDDIR-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839660545 1315227046 /nfs/dbraw/zinc/22/70/46/1315227046.db2.gz WKNIFJHSHCDDIR-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839660545 1315227047 /nfs/dbraw/zinc/22/70/47/1315227047.db2.gz WKNIFJHSHCDDIR-GFCCVEGCSA-N 0 3 331.376 2.410 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001155256601 1317526289 /nfs/dbraw/zinc/52/62/89/1317526289.db2.gz NPWYNRPVQYUVBZ-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN CC(C)(C)OC(=O)N1CC(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254565634 1318122412 /nfs/dbraw/zinc/12/24/12/1318122412.db2.gz FBLBCAYXIYPUTL-ZDUSSCGKSA-N 0 3 333.388 2.271 20 5 EEBDHN Cc1cncnc1O[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606119 1318142693 /nfs/dbraw/zinc/14/26/93/1318142693.db2.gz DZJCDSOXCZJPFC-SJORKVTESA-N 0 3 340.383 2.314 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H](Oc3ncccn3)C1)C2 ZINC001254606586 1318142806 /nfs/dbraw/zinc/14/28/06/1318142806.db2.gz GRUNVOFYSKVLSS-HOTGVXAUSA-N 0 3 326.356 2.005 20 5 EEBDHN CCc1cccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001160042169 1320054574 /nfs/dbraw/zinc/05/45/74/1320054574.db2.gz XTKYXJUZCBOWEZ-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001262596233 1322329774 /nfs/dbraw/zinc/32/97/74/1322329774.db2.gz WYGMDKWOPKBUCE-OAHLLOKOSA-N 0 3 347.327 2.033 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]1(CO)c1ccccc1 ZINC001308161274 1331569267 /nfs/dbraw/zinc/56/92/67/1331569267.db2.gz BHVBXPXEVSOIIM-QGZVFWFLSA-N 0 3 330.388 2.083 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCCC1 ZINC001609113743 1351849220 /nfs/dbraw/zinc/84/92/20/1351849220.db2.gz FRGMDWPRKDZKAD-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCCC1 ZINC001609113743 1351849224 /nfs/dbraw/zinc/84/92/24/1351849224.db2.gz FRGMDWPRKDZKAD-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN COC[C@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609320046 1351931844 /nfs/dbraw/zinc/93/18/44/1351931844.db2.gz VFDCFYWHAJMVEI-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609320046 1351931846 /nfs/dbraw/zinc/93/18/46/1351931846.db2.gz VFDCFYWHAJMVEI-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609320046 1351931848 /nfs/dbraw/zinc/93/18/48/1351931848.db2.gz VFDCFYWHAJMVEI-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@H]1CCCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609320046 1351931849 /nfs/dbraw/zinc/93/18/49/1351931849.db2.gz VFDCFYWHAJMVEI-LBPRGKRZSA-N 0 3 346.391 2.023 20 5 EEBDHN C[C@H](COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1)C[NH+]1CCOCC1 ZINC001344309310 1337389246 /nfs/dbraw/zinc/38/92/46/1337389246.db2.gz FBWIOTKGXQWESU-LBPRGKRZSA-N 0 3 347.371 2.201 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911033 1344074676 /nfs/dbraw/zinc/07/46/76/1344074676.db2.gz WSQHSPOPANAWEE-ZANVPECISA-N 0 3 334.376 2.004 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893744 1350796745 /nfs/dbraw/zinc/79/67/45/1350796745.db2.gz AMVSXJJSFJGPIN-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001603893744 1350796748 /nfs/dbraw/zinc/79/67/48/1350796748.db2.gz AMVSXJJSFJGPIN-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893744 1350796752 /nfs/dbraw/zinc/79/67/52/1350796752.db2.gz AMVSXJJSFJGPIN-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001603893744 1350796753 /nfs/dbraw/zinc/79/67/53/1350796753.db2.gz AMVSXJJSFJGPIN-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091500 1371272969 /nfs/dbraw/zinc/27/29/69/1371272969.db2.gz JVFVLWFLNQALDD-RHSMWYFYSA-N 0 3 332.356 2.172 20 5 EEBDHN CCN(CC)c1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])c(=O)oc2c1 ZINC000835457697 1372625867 /nfs/dbraw/zinc/62/58/67/1372625867.db2.gz ZCLCHZXCLFJXCO-NSHDSACASA-N 0 3 348.355 2.461 20 5 EEBDHN CC(C)(C)c1nc[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127659840 777808368 /nfs/dbraw/zinc/80/83/68/777808368.db2.gz NHOOGQIVKCYQKC-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN CCCN(C)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127683826 778761027 /nfs/dbraw/zinc/76/10/27/778761027.db2.gz BDPYIEVEWISEQK-UHFFFAOYSA-N 0 3 346.431 2.189 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107279713 786698325 /nfs/dbraw/zinc/69/83/25/786698325.db2.gz AYYJYOSGXVTBCY-PLNGDYQASA-N 0 3 338.383 2.160 20 5 EEBDHN CC1CCN(CC(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107300822 786765658 /nfs/dbraw/zinc/76/56/58/786765658.db2.gz YDYGACRMKJNPGP-SNAWJCMRSA-N 0 3 346.431 2.411 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107391654 787105971 /nfs/dbraw/zinc/10/59/71/787105971.db2.gz LACZFUYRCHCKCB-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN CC1(C)CCN(CC(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])C1 ZINC001107514283 787486504 /nfs/dbraw/zinc/48/65/04/787486504.db2.gz ZVRUWWZNNHANKQ-AATRIKPKSA-N 0 3 346.431 2.411 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC1 ZINC000823120333 787575729 /nfs/dbraw/zinc/57/57/29/787575729.db2.gz ICDOQLLWKJETNP-NSHDSACASA-N 0 3 338.383 2.014 20 5 EEBDHN CC(COC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000845575071 789850238 /nfs/dbraw/zinc/85/02/38/789850238.db2.gz FUXPKONVAIOKPH-SDDRHHMPSA-N 0 3 330.381 2.278 20 5 EEBDHN CC([C@H](OC(=O)C[C@H]1COC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845873334 789971357 /nfs/dbraw/zinc/97/13/57/789971357.db2.gz CNLSJKPLZHKTFT-FTGAXOIBSA-N 0 3 325.292 2.028 20 5 EEBDHN CC([C@@H](OC(=O)COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875943 789971977 /nfs/dbraw/zinc/97/19/77/789971977.db2.gz MCTXUYRLGFZNIC-MEDUHNTESA-N 0 3 341.335 2.271 20 5 EEBDHN CC([C@@H](OC(=O)c1cnn2c1OCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884575 789974848 /nfs/dbraw/zinc/97/48/48/789974848.db2.gz ZXIBOVGALNUYCF-QMTHXVAHSA-N 0 3 349.318 2.368 20 5 EEBDHN CCN(CC)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089944078 794988948 /nfs/dbraw/zinc/98/89/48/794988948.db2.gz PYIFGYIKFUFFQE-UHFFFAOYSA-N 0 3 349.435 2.030 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001086011662 801925255 /nfs/dbraw/zinc/92/52/55/801925255.db2.gz LLPJRRWPTGXTTN-AKAXFMLLSA-N 0 3 340.383 2.288 20 5 EEBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047605 803593505 /nfs/dbraw/zinc/59/35/05/803593505.db2.gz RMELBBIRRWLWIP-STQMWFEESA-N 0 3 327.425 2.278 20 5 EEBDHN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1nncc1CN ZINC001169310947 803698747 /nfs/dbraw/zinc/69/87/47/803698747.db2.gz OZVOVFZZPFXHNH-UHFFFAOYSA-N 0 3 345.750 2.053 20 5 EEBDHN Cc1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001130974774 812243581 /nfs/dbraw/zinc/24/35/81/812243581.db2.gz NXXYIFTZZAKEJO-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccsc3)CC2)c1 ZINC000186919886 236064446 /nfs/dbraw/zinc/06/44/46/236064446.db2.gz RDNOJUOENHWTNX-HNNXBMFYSA-N 0 3 336.417 2.093 20 5 EEBDHN CCS(=O)(=O)CCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000414539413 238699932 /nfs/dbraw/zinc/69/99/32/238699932.db2.gz DJGHSSLVHRGXNZ-JLHYYAGUSA-N 0 3 326.418 2.413 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421714172 240022072 /nfs/dbraw/zinc/02/20/72/240022072.db2.gz UZFDJHMKHJMEMU-NSHDSACASA-N 0 3 343.330 2.362 20 5 EEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)n1 ZINC000422797051 240233250 /nfs/dbraw/zinc/23/32/50/240233250.db2.gz LCYWFWRLSRKOOU-AWEZNQCLSA-N 0 3 345.403 2.364 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000445896401 242141047 /nfs/dbraw/zinc/14/10/47/242141047.db2.gz HZUSSOOEKUTQEK-DOMZBBRYSA-N 0 3 332.404 2.145 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000247500799 243433874 /nfs/dbraw/zinc/43/38/74/243433874.db2.gz UZEOOMWCAYFAGV-IUODEOHRSA-N 0 3 337.445 2.486 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763412 245239682 /nfs/dbraw/zinc/23/96/82/245239682.db2.gz OALJNNWMMHUKHR-BZUAXINKSA-N 0 3 345.399 2.247 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492124263 246312102 /nfs/dbraw/zinc/31/21/02/246312102.db2.gz HUQOWKBBFCWBAO-YKWSDOKYSA-N 0 3 333.363 2.346 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264358926 246398866 /nfs/dbraw/zinc/39/88/66/246398866.db2.gz DKUDAPPAUIECDD-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN COc1cccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195449297 256012040 /nfs/dbraw/zinc/01/20/40/256012040.db2.gz METACXBSIOXKGM-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC000271178222 256216591 /nfs/dbraw/zinc/21/65/91/256216591.db2.gz VINSCBZYVUYYNU-NSHDSACASA-N 0 3 332.447 2.100 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cn1 ZINC000274027929 256347440 /nfs/dbraw/zinc/34/74/40/256347440.db2.gz WSLYADQWFQKNHI-UHFFFAOYSA-N 0 3 337.330 2.231 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN1CCCC1 ZINC000276373419 256426432 /nfs/dbraw/zinc/42/64/32/256426432.db2.gz XLASCAKIOJFLIH-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN Cc1ccc(NCCCNC(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000119733027 142375278 /nfs/dbraw/zinc/37/52/78/142375278.db2.gz OCXDOWADLLLNEG-CQSZACIVSA-N 0 3 349.435 2.099 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000253359604 160394745 /nfs/dbraw/zinc/39/47/45/160394745.db2.gz YGLSHOPTMQXIHY-KBPBESRZSA-N 0 3 334.420 2.243 20 5 EEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313986370 160531478 /nfs/dbraw/zinc/53/14/78/160531478.db2.gz NAQXNMIRFHCCEY-VIFPVBQESA-N 0 3 335.813 2.044 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000352660423 162233160 /nfs/dbraw/zinc/23/31/60/162233160.db2.gz RUFKJOKSWFFRET-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cccc(F)c3)CC2)c1 ZINC000374049698 167009669 /nfs/dbraw/zinc/00/96/69/167009669.db2.gz KVMPJBLPRZHREG-KRWDZBQOSA-N 0 3 348.378 2.171 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000275438759 269115938 /nfs/dbraw/zinc/11/59/38/269115938.db2.gz KAKGEKFMNQEVAZ-OAHLLOKOSA-N 0 3 335.404 2.325 20 5 EEBDHN CNC(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277473073 269158618 /nfs/dbraw/zinc/15/86/18/269158618.db2.gz QDNXKNFSBLTXBZ-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@@H]1CN(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCO1 ZINC000277993585 269204693 /nfs/dbraw/zinc/20/46/93/269204693.db2.gz NCIVTJLUXZPMPJ-CYBMUJFWSA-N 0 3 334.420 2.476 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1CC(C)(C)O ZINC000275481443 274250127 /nfs/dbraw/zinc/25/01/27/274250127.db2.gz JJWBLUATQYYCOF-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075851 274833992 /nfs/dbraw/zinc/83/39/92/274833992.db2.gz JWFGREZPOFDCIM-CMPLNLGQSA-N 0 3 341.795 2.327 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119735767 277062826 /nfs/dbraw/zinc/06/28/26/277062826.db2.gz LPFDFZRIXIEJDY-MRXNPFEDSA-N 0 3 334.420 2.311 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494386127 279120111 /nfs/dbraw/zinc/12/01/11/279120111.db2.gz MLRBYENBTRRJQY-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336849956 279254723 /nfs/dbraw/zinc/25/47/23/279254723.db2.gz UVYBAVVPZAYEBQ-SECBINFHSA-N 0 3 335.813 2.044 20 5 EEBDHN Cc1cc(NCCN2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000360923410 280299375 /nfs/dbraw/zinc/29/93/75/280299375.db2.gz AVYQIQBLAONWDS-CYBMUJFWSA-N 0 3 330.388 2.006 20 5 EEBDHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293738014 293283131 /nfs/dbraw/zinc/28/31/31/293283131.db2.gz QZKVNGNHKJDXCM-LBPRGKRZSA-N 0 3 332.404 2.123 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000164917908 311390226 /nfs/dbraw/zinc/39/02/26/311390226.db2.gz JDBRAFLSNRMSBT-YOEHRIQHSA-N 0 3 349.431 2.437 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452022827 315483941 /nfs/dbraw/zinc/48/39/41/315483941.db2.gz WUCWSYBAQFNJJO-TZMCWYRMSA-N 0 3 337.376 2.089 20 5 EEBDHN CC(COC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496840871 316291293 /nfs/dbraw/zinc/29/12/93/316291293.db2.gz TVBMFZKGXCFZAI-RYUDHWBXSA-N 0 3 330.381 2.232 20 5 EEBDHN C[C@H](C(=O)N1CCC(OCCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562299972 318866959 /nfs/dbraw/zinc/86/69/59/318866959.db2.gz VIYUNASLZRZDTR-AWEZNQCLSA-N 0 3 349.431 2.268 20 5 EEBDHN CN1CCCC[C@@H]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000576398790 320168233 /nfs/dbraw/zinc/16/82/33/320168233.db2.gz ZJYHZYNIAZMVQN-GFCCVEGCSA-N 0 3 332.360 2.286 20 5 EEBDHN CCOc1cccc(NC[C@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000183143695 323399729 /nfs/dbraw/zinc/39/97/29/323399729.db2.gz FYWQVJBRTBLDQB-AWEZNQCLSA-N 0 3 336.436 2.431 20 5 EEBDHN Cc1c(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862438 465056753 /nfs/dbraw/zinc/05/67/53/465056753.db2.gz JGWFZLPTPCUXOO-UONOGXRCSA-N 0 3 326.418 2.349 20 5 EEBDHN CO[C@]1(C)C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165384 465101192 /nfs/dbraw/zinc/10/11/92/465101192.db2.gz KSDVQQWQLCYBCJ-MAUKXSAKSA-N 0 3 347.415 2.277 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209145 465117710 /nfs/dbraw/zinc/11/77/10/465117710.db2.gz FYVLKAQINXTQFV-GOEBONIOSA-N 0 3 333.432 2.459 20 5 EEBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000341503019 465203310 /nfs/dbraw/zinc/20/33/10/465203310.db2.gz VOXNESMDUPYJKC-UHFFFAOYSA-N 0 3 327.812 2.137 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358650917 465243226 /nfs/dbraw/zinc/24/32/26/465243226.db2.gz MSFFWRVTQDFABQ-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000046034117 462639192 /nfs/dbraw/zinc/63/91/92/462639192.db2.gz WBBMIBDGDPHKND-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153433764 462650059 /nfs/dbraw/zinc/65/00/59/462650059.db2.gz OQWPVKDGIBFKJG-ZDUSSCGKSA-N 0 3 340.383 2.357 20 5 EEBDHN CC1(C)CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1CCO ZINC000590698686 468311147 /nfs/dbraw/zinc/31/11/47/468311147.db2.gz PHRQBUIDXFLQHR-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(C)CCn1nnnc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154488810 462774512 /nfs/dbraw/zinc/77/45/12/462774512.db2.gz FSWSYHQULPPHFX-UHFFFAOYSA-N 0 3 342.812 2.089 20 5 EEBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000065867131 462835304 /nfs/dbraw/zinc/83/53/04/462835304.db2.gz XLYHLMFAUNPEHZ-KGLIPLIRSA-N 0 3 334.420 2.386 20 5 EEBDHN CC1(C)C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)O1 ZINC000119815234 462930116 /nfs/dbraw/zinc/93/01/16/462930116.db2.gz JDFGCMFVLCGLLL-HNNXBMFYSA-N 0 3 347.415 2.420 20 5 EEBDHN COc1ccc(CC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000067905789 463064718 /nfs/dbraw/zinc/06/47/18/463064718.db2.gz VTOBZJDKDUQKPU-UHFFFAOYSA-N 0 3 347.415 2.233 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000122877902 463298737 /nfs/dbraw/zinc/29/87/37/463298737.db2.gz NRBNNQRFJANGQM-UHFFFAOYSA-N 0 3 347.462 2.117 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057719918 463513687 /nfs/dbraw/zinc/51/36/87/463513687.db2.gz PQMDQVOYXIVCEO-CYBMUJFWSA-N 0 3 346.431 2.408 20 5 EEBDHN CC(C)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964403 463637319 /nfs/dbraw/zinc/63/73/19/463637319.db2.gz PNKJHDCIJNKAFM-XJKSGUPXSA-N 0 3 335.404 2.129 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000177793363 463792687 /nfs/dbraw/zinc/79/26/87/463792687.db2.gz ZAKIUOCMCUUBEQ-HIFRSBDPSA-N 0 3 333.388 2.059 20 5 EEBDHN CCOC(=O)CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178558189 463921030 /nfs/dbraw/zinc/92/10/30/463921030.db2.gz ZLGCHFFRLIGIIM-UHFFFAOYSA-N 0 3 337.376 2.117 20 5 EEBDHN Nc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000283609793 463942683 /nfs/dbraw/zinc/94/26/83/463942683.db2.gz RPOPENNCVSCNAA-MRXNPFEDSA-N 0 3 342.399 2.008 20 5 EEBDHN C[C@@H](c1ccccc1)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248618 464173025 /nfs/dbraw/zinc/17/30/25/464173025.db2.gz QSEMKERZRKKXEX-GUYCJALGSA-N 0 3 343.383 2.221 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)o1 ZINC000263824256 464206840 /nfs/dbraw/zinc/20/68/40/464206840.db2.gz RMXGIQYLJFUJMA-CYBMUJFWSA-N 0 3 332.360 2.391 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264544486 464368106 /nfs/dbraw/zinc/36/81/06/464368106.db2.gz BHLQMEGYICKDKX-OAHLLOKOSA-N 0 3 333.388 2.060 20 5 EEBDHN CSc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000294230817 464439663 /nfs/dbraw/zinc/43/96/63/464439663.db2.gz AQONBOGYFGQAFK-LBPRGKRZSA-N 0 3 349.416 2.073 20 5 EEBDHN CSc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000294230817 464439669 /nfs/dbraw/zinc/43/96/69/464439669.db2.gz AQONBOGYFGQAFK-LBPRGKRZSA-N 0 3 349.416 2.073 20 5 EEBDHN CC(C)[C@@H](CO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174865863 464459471 /nfs/dbraw/zinc/45/94/71/464459471.db2.gz YWFOYYXCYIPZIK-QGZVFWFLSA-N 0 3 332.404 2.310 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000272417433 464601597 /nfs/dbraw/zinc/60/15/97/464601597.db2.gz ZQYMUSMCPXKTCA-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593884970 468419590 /nfs/dbraw/zinc/41/95/90/468419590.db2.gz YTXGPHQIMPLACU-UHFFFAOYSA-N 0 3 331.376 2.029 20 5 EEBDHN O=C(CN[C@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282144682 464713809 /nfs/dbraw/zinc/71/38/09/464713809.db2.gz SDRYMHKMMBAGCN-HNNXBMFYSA-N 0 3 333.388 2.472 20 5 EEBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000265902885 464726247 /nfs/dbraw/zinc/72/62/47/464726247.db2.gz DNQSZXRWMROVBU-UHFFFAOYSA-N 0 3 339.395 2.424 20 5 EEBDHN CCN1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000342483236 465324928 /nfs/dbraw/zinc/32/49/28/465324928.db2.gz YTUVEQVEBHFBPC-QWRGUYRKSA-N 0 3 331.376 2.163 20 5 EEBDHN Cc1c(CNC(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000359545229 465445677 /nfs/dbraw/zinc/44/56/77/465445677.db2.gz QXOFOWOKCRWTDQ-UHFFFAOYSA-N 0 3 334.420 2.386 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000299106498 465606275 /nfs/dbraw/zinc/60/62/75/465606275.db2.gz VWHMCGQEHKWCBA-KBPBESRZSA-N 0 3 335.404 2.210 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCN2CCCC2)c1 ZINC000344660451 465760427 /nfs/dbraw/zinc/76/04/27/465760427.db2.gz DFAIAFXHZSUCAX-UHFFFAOYSA-N 0 3 335.404 2.226 20 5 EEBDHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346258671 466036493 /nfs/dbraw/zinc/03/64/93/466036493.db2.gz IQOHHUKRDYWKMP-KCQAQPDRSA-N 0 3 347.415 2.406 20 5 EEBDHN O=C([C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000331374781 466054801 /nfs/dbraw/zinc/05/48/01/466054801.db2.gz KIAABOKMNMZPAD-OAHLLOKOSA-N 0 3 347.415 2.308 20 5 EEBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000361534243 466082847 /nfs/dbraw/zinc/08/28/47/466082847.db2.gz WSACCULKAZYDQY-CABCVRRESA-N 0 3 348.447 2.410 20 5 EEBDHN CCOc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302534324 466151653 /nfs/dbraw/zinc/15/16/53/466151653.db2.gz MDBIEJVPERQPRA-ZDUSSCGKSA-N 0 3 337.420 2.275 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155566 466191081 /nfs/dbraw/zinc/19/10/81/466191081.db2.gz GFSSXXGEAMNCGL-OLZOCXBDSA-N 0 3 334.372 2.320 20 5 EEBDHN C[C@H](O)[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241682 466266542 /nfs/dbraw/zinc/26/65/42/466266542.db2.gz SKTBMLIWQSDQQS-GXTWGEPZSA-N 0 3 349.387 2.128 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000304553618 466306398 /nfs/dbraw/zinc/30/63/98/466306398.db2.gz VXPLFQVFVKFRAY-KRWDZBQOSA-N 0 3 330.388 2.163 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000332262920 466477901 /nfs/dbraw/zinc/47/79/01/466477901.db2.gz FVLHUHUOJSARPI-HNNXBMFYSA-N 0 3 346.431 2.402 20 5 EEBDHN CCN(C)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000311706454 466526277 /nfs/dbraw/zinc/52/62/77/466526277.db2.gz MWJDGUDPBIWAHW-JTQLQIEISA-N 0 3 333.182 2.049 20 5 EEBDHN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358268565 466582205 /nfs/dbraw/zinc/58/22/05/466582205.db2.gz AXXDCXROAMNLMQ-GFCCVEGCSA-N 0 3 346.387 2.110 20 5 EEBDHN CN1CCN(C)[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317851 466831921 /nfs/dbraw/zinc/83/19/21/466831921.db2.gz XNHRUVGIDKPPPI-AEFFLSMTSA-N 0 3 332.448 2.198 20 5 EEBDHN C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000432313345 467230649 /nfs/dbraw/zinc/23/06/49/467230649.db2.gz NCQRBNZZMTXCEP-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN(C2CC2)C1 ZINC000451097034 467247868 /nfs/dbraw/zinc/24/78/68/467247868.db2.gz YNAZRINMZISVHL-LBPRGKRZSA-N 0 3 329.404 2.387 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN(CCO)[C@@H]2CCCSC2)cc1 ZINC000433212990 467309332 /nfs/dbraw/zinc/30/93/32/467309332.db2.gz NFWZVAYGMQUFTA-CQSZACIVSA-N 0 3 326.418 2.164 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC([NH+](C)C)CC1 ZINC000420744253 467470019 /nfs/dbraw/zinc/47/00/19/467470019.db2.gz KXBPMQSUXKEPJW-UHFFFAOYSA-N 0 3 341.433 2.054 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000431556691 467524540 /nfs/dbraw/zinc/52/45/40/467524540.db2.gz KRSYVJNWTVXHLU-ZDUSSCGKSA-N 0 3 336.392 2.217 20 5 EEBDHN COC[C@]1(C(=O)OC)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449460817 467648802 /nfs/dbraw/zinc/64/88/02/467648802.db2.gz ZWEKZXMIWDTQKT-WVRJYTFGSA-N 0 3 334.372 2.120 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000457957048 467739979 /nfs/dbraw/zinc/73/99/79/467739979.db2.gz PIZPIVLEPIHABS-GOSISDBHSA-N 0 3 346.431 2.265 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)N1CCO ZINC000450786115 467907367 /nfs/dbraw/zinc/90/73/67/467907367.db2.gz CTUXCOOZQFRLID-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594195347 468508864 /nfs/dbraw/zinc/50/88/64/468508864.db2.gz FZRZICZNPDJQCF-DOTOQJQBSA-N 0 3 347.415 2.415 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594201137 468510654 /nfs/dbraw/zinc/51/06/54/468510654.db2.gz NZCLNSHXLJUQEW-HOTGVXAUSA-N 0 3 333.388 2.107 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201015 468510850 /nfs/dbraw/zinc/51/08/50/468510850.db2.gz MOTKSTSFMQSKMI-HOCLYGCPSA-N 0 3 333.388 2.350 20 5 EEBDHN CSc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000591758300 468515891 /nfs/dbraw/zinc/51/58/91/468515891.db2.gz VUPSFSMBLFKBFD-CQSZACIVSA-N 0 3 349.412 2.241 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343021 468837968 /nfs/dbraw/zinc/83/79/68/468837968.db2.gz PGVMGFFZVXHJAB-OAHLLOKOSA-N 0 3 334.420 2.387 20 5 EEBDHN COc1cc(C)ccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584405613 468863679 /nfs/dbraw/zinc/86/36/79/468863679.db2.gz QVUALIUTMMBGRO-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN COC(=O)c1ccnc(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598632049 468939962 /nfs/dbraw/zinc/93/99/62/468939962.db2.gz ZBFYJLQNDUVFRJ-STQMWFEESA-N 0 3 334.376 2.205 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)[C@H]1CCc2ccccc21 ZINC000602775901 469066213 /nfs/dbraw/zinc/06/62/13/469066213.db2.gz CUIXQBPMQYPGCV-KRWDZBQOSA-N 0 3 344.415 2.472 20 5 EEBDHN C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC[C@@H](C)C1 ZINC000587210558 469085929 /nfs/dbraw/zinc/08/59/29/469085929.db2.gz PNDWMJOJRHQXRZ-VXGBXAGGSA-N 0 3 345.403 2.776 20 5 EEBDHN O=C(c1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596087081 469149131 /nfs/dbraw/zinc/14/91/31/469149131.db2.gz DHIRYSCHCZFOFY-AWEZNQCLSA-N 0 3 344.415 2.479 20 5 EEBDHN C[C@@]1(CCCO)CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199674 469212482 /nfs/dbraw/zinc/21/24/82/469212482.db2.gz DNYQYJSVWAXXIJ-KRWDZBQOSA-N 0 3 336.388 2.493 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424405 469391380 /nfs/dbraw/zinc/39/13/80/469391380.db2.gz UTOQQMPIKTURSU-INIZCTEOSA-N 0 3 348.447 2.112 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(c4ccncc4)CC3)c21 ZINC000612439278 469465943 /nfs/dbraw/zinc/46/59/43/469465943.db2.gz CREMRYJDZOOUKL-UHFFFAOYSA-N 0 3 336.355 2.260 20 5 EEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000608866940 469884087 /nfs/dbraw/zinc/88/40/87/469884087.db2.gz MJKCKBLYOCAUIO-UHFFFAOYSA-N 0 3 327.344 2.344 20 5 EEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000610297289 470000938 /nfs/dbraw/zinc/00/09/38/470000938.db2.gz YVRWWNJDAVABLW-OAHLLOKOSA-N 0 3 342.399 2.280 20 5 EEBDHN COC(=O)c1cnc(NC[C@H](C(C)C)N2CCCC2)c([N+](=O)[O-])c1 ZINC000190166147 534306957 /nfs/dbraw/zinc/30/69/57/534306957.db2.gz SDTPJQXDFDGNIE-CQSZACIVSA-N 0 3 336.392 2.309 20 5 EEBDHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCN(C)C1 ZINC000135785003 517891046 /nfs/dbraw/zinc/89/10/46/517891046.db2.gz VCQBGWUEXPMTNY-AWEZNQCLSA-N 0 3 330.388 2.171 20 5 EEBDHN CCc1nn(C)cc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578662 535829230 /nfs/dbraw/zinc/82/92/30/535829230.db2.gz GIYQSQWXHLORFX-GJZGRUSLSA-N 0 3 332.408 2.361 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772032 536809541 /nfs/dbraw/zinc/80/95/41/536809541.db2.gz RUCJHARQCLVMER-BYCMXARLSA-N 0 3 333.388 2.469 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521150 576662953 /nfs/dbraw/zinc/66/29/53/576662953.db2.gz BPJGNGUBUZGGEQ-QWHCGFSZSA-N 0 3 334.420 2.478 20 5 EEBDHN COCCOc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677951 577116049 /nfs/dbraw/zinc/11/60/49/577116049.db2.gz CSMJPAMPEOVPJD-GOSISDBHSA-N 0 3 346.383 2.443 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccco1 ZINC000764772882 577488227 /nfs/dbraw/zinc/48/82/27/577488227.db2.gz LTWBGHHCDZSUIN-SMDDNHRTSA-N 0 3 333.344 2.228 20 5 EEBDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939855 577587475 /nfs/dbraw/zinc/58/74/75/577587475.db2.gz AYWUSOIEBINAAH-NVXWUHKLSA-N 0 3 344.415 2.316 20 5 EEBDHN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028584 577589249 /nfs/dbraw/zinc/58/92/49/577589249.db2.gz GOUOSTQFJKPMLP-GOEBONIOSA-N 0 3 330.388 2.241 20 5 EEBDHN COC(=O)C[C@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682049 577601656 /nfs/dbraw/zinc/60/16/56/577601656.db2.gz YPQLEOFMCDOHLT-DANOYGIBSA-N 0 3 334.372 2.310 20 5 EEBDHN C[S@](=O)C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159353 577801452 /nfs/dbraw/zinc/80/14/52/577801452.db2.gz MFGGIESSBBRGFM-OJLQRUNKSA-N 0 3 348.424 2.338 20 5 EEBDHN NC(=O)C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000754503355 577807278 /nfs/dbraw/zinc/80/72/78/577807278.db2.gz SMCMDOYCTSAZRV-CYBMUJFWSA-N 0 3 341.795 2.008 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1COC(C)(C)OC1 ZINC000757698404 577862702 /nfs/dbraw/zinc/86/27/02/577862702.db2.gz QRBKNBNSAPIQMW-NSHDSACASA-N 0 3 337.376 2.053 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736399115 578201013 /nfs/dbraw/zinc/20/10/13/578201013.db2.gz DNBLDDRMCATAHY-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736399115 578201014 /nfs/dbraw/zinc/20/10/14/578201014.db2.gz DNBLDDRMCATAHY-ZDUSSCGKSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568859 578212003 /nfs/dbraw/zinc/21/20/03/578212003.db2.gz DCIWFDSKGAJLBS-YPMHNXCESA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568859 578212004 /nfs/dbraw/zinc/21/20/04/578212004.db2.gz DCIWFDSKGAJLBS-YPMHNXCESA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568859 578212005 /nfs/dbraw/zinc/21/20/05/578212005.db2.gz DCIWFDSKGAJLBS-YPMHNXCESA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568859 578212006 /nfs/dbraw/zinc/21/20/06/578212006.db2.gz DCIWFDSKGAJLBS-YPMHNXCESA-N 0 3 345.407 2.084 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCN(CC4CC4)CC3)c2)cc1 ZINC000103457931 683255117 /nfs/dbraw/zinc/25/51/17/683255117.db2.gz WTDDZPQATXDTAV-UHFFFAOYSA-N 0 3 341.415 2.443 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@H]3COCO3)o2)c([N+](=O)[O-])c1 ZINC000894872372 683263236 /nfs/dbraw/zinc/26/32/36/683263236.db2.gz IMUVHXZYWJFBQV-ZDUSSCGKSA-N 0 3 334.328 2.326 20 5 EEBDHN C[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020259 683570857 /nfs/dbraw/zinc/57/08/57/683570857.db2.gz OYYNJHVQGJJAEC-CHWSQXEVSA-N 0 3 332.404 2.234 20 5 EEBDHN COc1cc(CNC[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896594231 685114499 /nfs/dbraw/zinc/11/44/99/685114499.db2.gz GAVNZWLAWACION-NSHDSACASA-N 0 3 345.346 2.041 20 5 EEBDHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813104650 1201096850 /nfs/dbraw/zinc/09/68/50/1201096850.db2.gz PMKPNIWDVNOGFD-HUUCEWRRSA-N 0 3 348.399 2.364 20 5 EEBDHN CC(COC(=O)c1cc(N2CCCC2=O)ccc1Cl)[N+](=O)[O-] ZINC000813110768 1201121949 /nfs/dbraw/zinc/12/19/49/1201121949.db2.gz IXXMZTHAUINFOR-SECBINFHSA-N 0 3 326.736 2.289 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120895655 1201430479 /nfs/dbraw/zinc/43/04/79/1201430479.db2.gz IWKCYDJPPWLTHC-LLVKDONJSA-N 0 3 347.412 2.051 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295694 1201486327 /nfs/dbraw/zinc/48/63/27/1201486327.db2.gz APTUDYUKWFNJKB-GHMZBOCLSA-N 0 3 332.397 2.078 20 5 EEBDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495339 1207616481 /nfs/dbraw/zinc/61/64/81/1207616481.db2.gz ZZLDLACEENTGEN-RVBZMBCESA-N 0 3 327.768 2.200 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1F ZINC001020041802 1229454230 /nfs/dbraw/zinc/45/42/30/1229454230.db2.gz XZEJQHBFCRAYAF-JOCQHMNTSA-N 0 3 344.346 2.180 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900912963 1234995005 /nfs/dbraw/zinc/99/50/05/1234995005.db2.gz PYRXNGABRUYZOM-VIFPVBQESA-N 0 3 329.759 2.459 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801965576 1236551497 /nfs/dbraw/zinc/55/14/97/1236551497.db2.gz PWDVOHKKLGSOFS-UHFFFAOYSA-N 0 3 338.383 2.168 20 5 EEBDHN Cc1cc(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001055927262 1238490144 /nfs/dbraw/zinc/49/01/44/1238490144.db2.gz FRJKORPLJXPTIL-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN CCCN(CCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001101152098 1245454862 /nfs/dbraw/zinc/45/48/62/1245454862.db2.gz NYMPXFXIPCCKSC-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CCOCCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199697639 1285797313 /nfs/dbraw/zinc/79/73/13/1285797313.db2.gz CWYHEICJIMPLBX-UHFFFAOYSA-N 0 3 341.433 2.164 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3[N+](=O)[O-])C[C@H]1N2C ZINC001222761320 1299835869 /nfs/dbraw/zinc/83/58/69/1299835869.db2.gz MXWUQJXJAAFTOA-XJNFMUPTSA-N 0 3 334.372 2.278 20 5 EEBDHN C[C@H](C[N+](C)(C)C)Oc1cccc([O-])c1I ZINC001227383103 1301808518 /nfs/dbraw/zinc/80/85/18/1301808518.db2.gz ZBQXBVRDHQZWGG-SECBINFHSA-O 0 3 336.193 2.470 20 5 EEBDHN CCN1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448053 1301832557 /nfs/dbraw/zinc/83/25/57/1301832557.db2.gz AARKPDYRNIBFCO-AWEZNQCLSA-N 0 3 326.352 2.004 20 5 EEBDHN CN1CC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515388 1301860937 /nfs/dbraw/zinc/86/09/37/1301860937.db2.gz ITMMJJFXFFISGW-SNVBAGLBSA-N 0 3 348.384 2.387 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC001123358748 1310537908 /nfs/dbraw/zinc/53/79/08/1310537908.db2.gz AXJJYEQYCVALPZ-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN CCc1nc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cs1 ZINC001152297800 1316655361 /nfs/dbraw/zinc/65/53/61/1316655361.db2.gz UNSXLQZCQCSCJH-UHFFFAOYSA-N 0 3 348.428 2.062 20 5 EEBDHN COCCOc1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549005 1318118738 /nfs/dbraw/zinc/11/87/38/1318118738.db2.gz PFJSELZPFUDVNX-ZDUSSCGKSA-N 0 3 346.387 2.131 20 5 EEBDHN CCN(C(C)=O)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605395 1318142201 /nfs/dbraw/zinc/14/22/01/1318142201.db2.gz BRMZHULBUCLMAZ-SFHVURJKSA-N 0 3 331.416 2.395 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001254610292 1318144230 /nfs/dbraw/zinc/14/42/30/1318144230.db2.gz JHYMWHSBDNGTFE-HZPDHXFCSA-N 0 3 344.346 2.144 20 5 EEBDHN Cc1ccc(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001156724900 1318182387 /nfs/dbraw/zinc/18/23/87/1318182387.db2.gz LFEMTXZOONFQHN-UHFFFAOYSA-N 0 3 331.372 2.335 20 5 EEBDHN Cc1ccncc1CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001160217022 1320102759 /nfs/dbraw/zinc/10/27/59/1320102759.db2.gz SXBRBYQVPOZNGV-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN CCc1c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])ccn1C ZINC001166661765 1321760020 /nfs/dbraw/zinc/76/00/20/1321760020.db2.gz HXMUOLZZROPNBN-UHFFFAOYSA-N 0 3 344.415 2.405 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001261550985 1322130453 /nfs/dbraw/zinc/13/04/53/1322130453.db2.gz SUZKYQSCNONKQM-HZPDHXFCSA-N 0 3 332.404 2.383 20 5 EEBDHN CC[NH+](CC)CCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609223552 1351901042 /nfs/dbraw/zinc/90/10/42/1351901042.db2.gz YAVVDQXQOLQUTA-UHFFFAOYSA-N 0 3 336.421 2.350 20 5 EEBDHN CC[NH+](CC)CCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609223552 1351901046 /nfs/dbraw/zinc/90/10/46/1351901046.db2.gz YAVVDQXQOLQUTA-UHFFFAOYSA-N 0 3 336.421 2.350 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001336744790 1336589055 /nfs/dbraw/zinc/58/90/55/1336589055.db2.gz JNIIJFXSJKVTQV-HNNXBMFYSA-N 0 3 330.388 2.150 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccnc2N2CCCC2)cc1 ZINC001338462774 1336864093 /nfs/dbraw/zinc/86/40/93/1336864093.db2.gz SIHZAFBJARVZRD-KRWDZBQOSA-N 0 3 342.399 2.413 20 5 EEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001580493594 1344526123 /nfs/dbraw/zinc/52/61/23/1344526123.db2.gz IOTASPGRVIQPJT-PODYEWJSSA-N 0 3 339.355 2.461 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001603078382 1350634395 /nfs/dbraw/zinc/63/43/95/1350634395.db2.gz WJDASGJRULIVDK-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001603078382 1350634397 /nfs/dbraw/zinc/63/43/97/1350634397.db2.gz WJDASGJRULIVDK-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(C)N(C)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112352879 1371408964 /nfs/dbraw/zinc/40/89/64/1371408964.db2.gz HNZGAOLBVXGBGJ-UHFFFAOYSA-N 0 3 349.435 2.123 20 5 EEBDHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165904949 1405716687 /nfs/dbraw/zinc/71/66/87/1405716687.db2.gz RNXBIFLAYCRSRH-DTORHVGOSA-N 0 3 342.193 2.180 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000840252763 782458164 /nfs/dbraw/zinc/45/81/64/782458164.db2.gz YHRBTIUKHHCXKM-GJZGRUSLSA-N 0 3 328.372 2.418 20 5 EEBDHN CC(C)N1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000906545542 783985358 /nfs/dbraw/zinc/98/53/58/783985358.db2.gz LTEBXXWMIQZUNJ-UHFFFAOYSA-N 0 3 340.811 2.387 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817677603 784914688 /nfs/dbraw/zinc/91/46/88/784914688.db2.gz ZSFSBWPUYSSJQK-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CN1Cc2ccccc2[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190874 785455904 /nfs/dbraw/zinc/45/59/04/785455904.db2.gz LMOLEUDGVGIDTB-ROUUACIJSA-N 0 3 327.384 2.405 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107280692 786701265 /nfs/dbraw/zinc/70/12/65/786701265.db2.gz RRDHGQJJLWXSER-WAYWQWQTSA-N 0 3 334.420 2.329 20 5 EEBDHN CN(C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671716 787864270 /nfs/dbraw/zinc/86/42/70/787864270.db2.gz UGYWQVFMJGOQRL-DLBZAZTESA-N 0 3 343.383 2.047 20 5 EEBDHN CCNC(=O)CO[C@H]1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235736 797313554 /nfs/dbraw/zinc/31/35/54/797313554.db2.gz YXEMZRXAWBQZQX-YOEHRIQHSA-N 0 3 349.431 2.143 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006574 803567834 /nfs/dbraw/zinc/56/78/34/803567834.db2.gz IKXBXKAPSVPENY-UONOGXRCSA-N 0 3 330.388 2.395 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)s1 ZINC001212585613 803641512 /nfs/dbraw/zinc/64/15/12/803641512.db2.gz TXMDZRFLADXSBM-UHFFFAOYSA-N 0 3 329.341 2.414 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344411 809916142 /nfs/dbraw/zinc/91/61/42/809916142.db2.gz BUZABINFALJLBQ-HIFRSBDPSA-N 0 3 345.403 2.463 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC[C@@H]2C2CC2)c1 ZINC000451650522 243189200 /nfs/dbraw/zinc/18/92/00/243189200.db2.gz UTBDCOIDUULUNA-GDBMZVCRSA-N 0 3 338.429 2.162 20 5 EEBDHN CCNC(=O)C(C)(C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459602358 245184741 /nfs/dbraw/zinc/18/47/41/245184741.db2.gz ZGYDFKUAXRXWFZ-UHFFFAOYSA-N 0 3 346.387 2.297 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774764 245245892 /nfs/dbraw/zinc/24/58/92/245245892.db2.gz UGMZUNHPOMHPLI-TUKIKUTGSA-N 0 3 333.388 2.469 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264184818 246152086 /nfs/dbraw/zinc/15/20/86/246152086.db2.gz CNUGXPOBIJEDDQ-UHFFFAOYSA-N 0 3 330.388 2.490 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157066113 206114514 /nfs/dbraw/zinc/11/45/14/206114514.db2.gz HBOPLMMANKZYHT-ZIAGYGMSSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177042772 207287485 /nfs/dbraw/zinc/28/74/85/207287485.db2.gz INTQHNFRXAIWOM-OLZOCXBDSA-N 0 3 332.404 2.138 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186971033 255944649 /nfs/dbraw/zinc/94/46/49/255944649.db2.gz IEPLJFFQFNWZGP-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN1C1CC1 ZINC000267991562 256103490 /nfs/dbraw/zinc/10/34/90/256103490.db2.gz QDSILANTCNOITP-MNOVXSKESA-N 0 3 328.372 2.431 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270547003 256147101 /nfs/dbraw/zinc/14/71/01/256147101.db2.gz YVPQKMNZQZPADL-OVPGCVMQSA-N 0 3 335.429 2.112 20 5 EEBDHN CCOc1ccc([C@H](C)NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271148316 256212810 /nfs/dbraw/zinc/21/28/10/256212810.db2.gz PWTABKNCCXSIDQ-NSHDSACASA-N 0 3 330.406 2.079 20 5 EEBDHN COc1ccc(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076494 256263187 /nfs/dbraw/zinc/26/31/87/256263187.db2.gz POYUXDPMOQZGHV-IAGOWNOFSA-N 0 3 349.387 2.089 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970143 256342410 /nfs/dbraw/zinc/34/24/10/256342410.db2.gz HIQFIFOHLREZCJ-UTUOFQBUSA-N 0 3 337.376 2.099 20 5 EEBDHN CC[C@@H]1CCCCN1CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189298006 160138836 /nfs/dbraw/zinc/13/88/36/160138836.db2.gz MJLPUFYOODKXHH-CYBMUJFWSA-N 0 3 336.392 2.453 20 5 EEBDHN CN(CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000342652003 161080908 /nfs/dbraw/zinc/08/09/08/161080908.db2.gz JSQSUFZJJDMLDK-UHFFFAOYSA-N 0 3 326.784 2.142 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000344077649 161196683 /nfs/dbraw/zinc/19/66/83/161196683.db2.gz WRBROGFTYDNZIG-DJIMGWMZSA-N 0 3 347.415 2.340 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000344425191 161226297 /nfs/dbraw/zinc/22/62/97/161226297.db2.gz VIFWDFHUWALKAW-OKILXGFUSA-N 0 3 334.420 2.315 20 5 EEBDHN CCN1CCC(N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000345434038 161301511 /nfs/dbraw/zinc/30/15/11/161301511.db2.gz GOPGJCCZPATNMU-UHFFFAOYSA-N 0 3 344.415 2.492 20 5 EEBDHN C[C@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345957857 161345469 /nfs/dbraw/zinc/34/54/69/161345469.db2.gz VXALENRHRQUGIR-DZGCQCFKSA-N 0 3 334.420 2.261 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000355345104 163154754 /nfs/dbraw/zinc/15/47/54/163154754.db2.gz RZGIRTCDKSEABT-HNNXBMFYSA-N 0 3 341.367 2.414 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000356859038 163563001 /nfs/dbraw/zinc/56/30/01/163563001.db2.gz MTEUGMOPMZAYPR-ZDUSSCGKSA-N 0 3 330.388 2.300 20 5 EEBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000360849448 164390206 /nfs/dbraw/zinc/39/02/06/164390206.db2.gz MBMRIWRKWMTIFC-MRXNPFEDSA-N 0 3 343.431 2.425 20 5 EEBDHN COc1ccc(CN[C@@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000369088251 166185611 /nfs/dbraw/zinc/18/56/11/166185611.db2.gz SDVLXKWZAFOVNT-CQSZACIVSA-N 0 3 328.372 2.349 20 5 EEBDHN Cn1cc(C[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370007008 166375236 /nfs/dbraw/zinc/37/52/36/166375236.db2.gz DXXDSHXMROWGFR-AWEZNQCLSA-N 0 3 330.388 2.272 20 5 EEBDHN COc1cc(CN[C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381328 268964366 /nfs/dbraw/zinc/96/43/66/268964366.db2.gz HQRZLIBRQKQOIM-SNVBAGLBSA-N 0 3 348.346 2.498 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637991 269002569 /nfs/dbraw/zinc/00/25/69/269002569.db2.gz XYSSKIDHYFXKJF-ZENOOKHLSA-N 0 3 332.404 2.391 20 5 EEBDHN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272648544 269003978 /nfs/dbraw/zinc/00/39/78/269003978.db2.gz AFWZPXJMNRKZEC-ZDUSSCGKSA-N 0 3 332.404 2.163 20 5 EEBDHN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1=CCN(C)CC1 ZINC000272740307 269015658 /nfs/dbraw/zinc/01/56/58/269015658.db2.gz CSPVSVQYKCONFH-LLVKDONJSA-N 0 3 328.372 2.456 20 5 EEBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000275390704 274245024 /nfs/dbraw/zinc/24/50/24/274245024.db2.gz ARMPKFFYWSXKOK-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277477156 274296808 /nfs/dbraw/zinc/29/68/08/274296808.db2.gz PIXSHMAKCDGOAK-INIZCTEOSA-N 0 3 332.404 2.411 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN1C1CC1 ZINC000268037396 274391352 /nfs/dbraw/zinc/39/13/52/274391352.db2.gz WYOYJUWGLZOYAC-ZYHUDNBSSA-N 0 3 328.372 2.431 20 5 EEBDHN CCOC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000286358511 274863789 /nfs/dbraw/zinc/86/37/89/274863789.db2.gz YCYSSENRTQCTAI-OAHLLOKOSA-N 0 3 335.404 2.135 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292089363 275374531 /nfs/dbraw/zinc/37/45/31/275374531.db2.gz FGCCPDCGOKIZGJ-MRXNPFEDSA-N 0 3 335.429 2.485 20 5 EEBDHN CN1CCC[C@@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000376173244 277053791 /nfs/dbraw/zinc/05/37/91/277053791.db2.gz NLCKVFMBRNTVDY-CQSZACIVSA-N 0 3 338.839 2.464 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234340 293157940 /nfs/dbraw/zinc/15/79/40/293157940.db2.gz SJBYXHMKVKBOAC-PBHICJAKSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)N1CCN(CCCN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332431712 312006402 /nfs/dbraw/zinc/00/64/02/312006402.db2.gz FDYKJIUWFMPYBM-UHFFFAOYSA-N 0 3 346.475 2.369 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421365484 314093398 /nfs/dbraw/zinc/09/33/98/314093398.db2.gz URDASCAUODLBCT-JOCQHMNTSA-N 0 3 335.404 2.375 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000421766818 314159505 /nfs/dbraw/zinc/15/95/05/314159505.db2.gz HTESGPJNIBKHBM-UHFFFAOYSA-N 0 3 349.431 2.394 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425066679 314328575 /nfs/dbraw/zinc/32/85/75/314328575.db2.gz PFZKMODAJRLSSK-XJKSGUPXSA-N 0 3 331.416 2.425 20 5 EEBDHN CC(COC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496840870 316291369 /nfs/dbraw/zinc/29/13/69/316291369.db2.gz TVBMFZKGXCFZAI-NWDGAFQWSA-N 0 3 330.381 2.232 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000523286058 316984875 /nfs/dbraw/zinc/98/48/75/316984875.db2.gz YAELFJMWGDFUEU-AWEZNQCLSA-N 0 3 332.404 2.337 20 5 EEBDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225704 318052916 /nfs/dbraw/zinc/05/29/16/318052916.db2.gz JHKFQAKGBHGGII-UKRRQHHQSA-N 0 3 348.403 2.290 20 5 EEBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000541348543 318097427 /nfs/dbraw/zinc/09/74/27/318097427.db2.gz BYMSDKYCMXSHDT-XQQFMLRXSA-N 0 3 326.418 2.160 20 5 EEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417287 318187353 /nfs/dbraw/zinc/18/73/53/318187353.db2.gz SCBSHYVVKBQTJU-BXUZGUMPSA-N 0 3 339.392 2.191 20 5 EEBDHN COC(C)(C)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558437386 318709845 /nfs/dbraw/zinc/70/98/45/318709845.db2.gz VDSNDZDYISCZKZ-GFCCVEGCSA-N 0 3 344.433 2.162 20 5 EEBDHN CN(CC(=O)Nc1cccc2c1CCNC2)c1ccccc1[N+](=O)[O-] ZINC000566004663 319234229 /nfs/dbraw/zinc/23/42/29/319234229.db2.gz RZYRIWIANKLSSR-UHFFFAOYSA-N 0 3 340.383 2.315 20 5 EEBDHN CN(C)CCOCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567115889 319350120 /nfs/dbraw/zinc/35/01/20/319350120.db2.gz KETGAKARPQQKTB-CYBMUJFWSA-N 0 3 335.326 2.366 20 5 EEBDHN Cn1ncc2c1CCC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577621830 320266511 /nfs/dbraw/zinc/26/65/11/320266511.db2.gz GWWZYJZGPCTXCR-ZDUSSCGKSA-N 0 3 343.387 2.324 20 5 EEBDHN CN(C)CCn1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000584003151 324777037 /nfs/dbraw/zinc/77/70/37/324777037.db2.gz WTHPFWOXKNWZQY-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN CN(CCOc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315787 465028721 /nfs/dbraw/zinc/02/87/21/465028721.db2.gz GLGBPXLOFIHPDJ-HNNXBMFYSA-N 0 3 346.383 2.345 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000337262245 465273870 /nfs/dbraw/zinc/27/38/70/465273870.db2.gz YDWLULMMAIWSBG-UHFFFAOYSA-N 0 3 328.372 2.194 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000061035298 462573562 /nfs/dbraw/zinc/57/35/62/462573562.db2.gz PGMWFJNFJKZPDI-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153682819 462678878 /nfs/dbraw/zinc/67/88/78/462678878.db2.gz YOIKGTFSVSJRMP-ZDUSSCGKSA-N 0 3 344.415 2.467 20 5 EEBDHN CC1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000047672126 462813470 /nfs/dbraw/zinc/81/34/70/462813470.db2.gz HHVPCFRGGGQIJE-UHFFFAOYSA-N 0 3 334.420 2.245 20 5 EEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000067118865 462967106 /nfs/dbraw/zinc/96/71/06/462967106.db2.gz LBHVKLAFHCBYBW-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN CCOC(=O)c1ccnc(NCCCN2CCCCC2)c1[N+](=O)[O-] ZINC000077905949 463070188 /nfs/dbraw/zinc/07/01/88/463070188.db2.gz QGJSBAYBPPIJMP-UHFFFAOYSA-N 0 3 336.392 2.454 20 5 EEBDHN COCCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134686200 463070664 /nfs/dbraw/zinc/07/06/64/463070664.db2.gz XEUFQUNEIGHDOL-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000054287021 463224043 /nfs/dbraw/zinc/22/40/43/463224043.db2.gz GWSVBUFTTAZTBF-LBPRGKRZSA-N 0 3 334.420 2.417 20 5 EEBDHN NC(=O)CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000079927284 463261579 /nfs/dbraw/zinc/26/15/79/463261579.db2.gz JPLYTFXFNHYNAT-UHFFFAOYSA-N 0 3 343.383 2.351 20 5 EEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000055298207 463306316 /nfs/dbraw/zinc/30/63/16/463306316.db2.gz JOZAZLNPONHQCQ-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN CCC1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000072724123 463540300 /nfs/dbraw/zinc/54/03/00/463540300.db2.gz GCHCVKVDCNYCAI-UHFFFAOYSA-N 0 3 349.387 2.130 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@@H](C)C1 ZINC000170774771 463704340 /nfs/dbraw/zinc/70/43/40/463704340.db2.gz HJYGCKVTEOWWDU-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009815 463732600 /nfs/dbraw/zinc/73/26/00/463732600.db2.gz GFVKVIREFIXMGK-NEPJUHHUSA-N 0 3 337.376 2.019 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177795396 463792661 /nfs/dbraw/zinc/79/26/61/463792661.db2.gz BDIMCIYLPAQPJJ-CABCVRRESA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000172015854 463970067 /nfs/dbraw/zinc/97/00/67/463970067.db2.gz FFMCORKATANNCO-UHFFFAOYSA-N 0 3 341.433 2.058 20 5 EEBDHN COC(=O)C[C@@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000269621377 464036274 /nfs/dbraw/zinc/03/62/74/464036274.db2.gz DUVZDEVQLSOHEQ-LBPRGKRZSA-N 0 3 338.360 2.010 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000264345034 464294625 /nfs/dbraw/zinc/29/46/25/464294625.db2.gz QTBCGCZMFNVABI-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000271666531 464357288 /nfs/dbraw/zinc/35/72/88/464357288.db2.gz WFBZYABQVKLAJE-GJZGRUSLSA-N 0 3 325.434 2.223 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000281448069 464458387 /nfs/dbraw/zinc/45/83/87/464458387.db2.gz FBKQJKCXUZQNCL-GOEBONIOSA-N 0 3 347.415 2.225 20 5 EEBDHN CN1CC=C(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000272052680 464462349 /nfs/dbraw/zinc/46/23/49/464462349.db2.gz ZRDIALVOMJREBI-UHFFFAOYSA-N 0 3 330.388 2.161 20 5 EEBDHN CN(C(=O)CN[C@@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181498887 464498088 /nfs/dbraw/zinc/49/80/88/464498088.db2.gz YJNKDPSOMNPIJF-KRWDZBQOSA-N 0 3 349.431 2.479 20 5 EEBDHN C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386325 464545533 /nfs/dbraw/zinc/54/55/33/464545533.db2.gz WNTJDKDIKICKHK-QITLCBANSA-N 0 3 345.399 2.312 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285487068 464583226 /nfs/dbraw/zinc/58/32/26/464583226.db2.gz IKQNKUYQIAYBNY-KEYYUXOJSA-N 0 3 346.431 2.480 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](COc2ccccc2)C1 ZINC000272519051 464641741 /nfs/dbraw/zinc/64/17/41/464641741.db2.gz HBMSZLFSCLSHLK-HNNXBMFYSA-N 0 3 343.383 2.157 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152593 464724557 /nfs/dbraw/zinc/72/45/57/464724557.db2.gz AJVXTCQRKXYXNO-SSKCKEOISA-N 0 3 347.415 2.133 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934596 464739635 /nfs/dbraw/zinc/73/96/35/464739635.db2.gz FQFUPVAQKJTCPF-XJKSGUPXSA-N 0 3 344.415 2.348 20 5 EEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000192028481 464851964 /nfs/dbraw/zinc/85/19/64/464851964.db2.gz CRSUSAJZFOXQNJ-GFCCVEGCSA-N 0 3 347.824 2.044 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)cc1C ZINC000192027709 464852786 /nfs/dbraw/zinc/85/27/86/464852786.db2.gz IISCUSFMUQROOB-ZDUSSCGKSA-N 0 3 341.433 2.007 20 5 EEBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358847225 465355970 /nfs/dbraw/zinc/35/59/70/465355970.db2.gz FQUPUBBHJYPZRH-AWEZNQCLSA-N 0 3 328.372 2.317 20 5 EEBDHN CCOC1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000298383713 465381887 /nfs/dbraw/zinc/38/18/87/465381887.db2.gz VSOKIDIAUPKTJY-CQSZACIVSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000359816066 465492330 /nfs/dbraw/zinc/49/23/30/465492330.db2.gz VWFBFEGHGKKTPX-HIFRSBDPSA-N 0 3 342.399 2.326 20 5 EEBDHN CNc1c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179106 465818729 /nfs/dbraw/zinc/81/87/29/465818729.db2.gz OVBJKPHKOLXNSS-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c2ccncc21 ZINC000301524003 465978251 /nfs/dbraw/zinc/97/82/51/465978251.db2.gz FFSCIGCYKTUWPP-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000361658307 466183263 /nfs/dbraw/zinc/18/32/63/466183263.db2.gz FKTQPQXOSPVKOX-WFASDCNBSA-N 0 3 330.388 2.056 20 5 EEBDHN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCc2ccccc2C1 ZINC000340691944 466266487 /nfs/dbraw/zinc/26/64/87/466266487.db2.gz NYFDOXKETHAJAS-OAHLLOKOSA-N 0 3 342.399 2.490 20 5 EEBDHN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000340691944 466266495 /nfs/dbraw/zinc/26/64/95/466266495.db2.gz NYFDOXKETHAJAS-OAHLLOKOSA-N 0 3 342.399 2.490 20 5 EEBDHN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000340691944 466266499 /nfs/dbraw/zinc/26/64/99/466266499.db2.gz NYFDOXKETHAJAS-OAHLLOKOSA-N 0 3 342.399 2.490 20 5 EEBDHN CN1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242687 466303700 /nfs/dbraw/zinc/30/37/00/466303700.db2.gz MTYSUGUSPUTTKY-NSHDSACASA-N 0 3 339.827 2.224 20 5 EEBDHN Cc1c(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330668 466308111 /nfs/dbraw/zinc/30/81/11/466308111.db2.gz HQIAYRIFCXAVKN-QAPCUYQASA-N 0 3 346.475 2.361 20 5 EEBDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237517 466461597 /nfs/dbraw/zinc/46/15/97/466461597.db2.gz HKWRAPCIHHVSRG-HWWQOWPSSA-N 0 3 335.379 2.390 20 5 EEBDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237520 466461879 /nfs/dbraw/zinc/46/18/79/466461879.db2.gz HKWRAPCIHHVSRG-OZVIIMIRSA-N 0 3 335.379 2.390 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362148284 466588389 /nfs/dbraw/zinc/58/83/89/466588389.db2.gz ISARMKMECOADIK-WFASDCNBSA-N 0 3 335.404 2.331 20 5 EEBDHN Cn1ncc2c1CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000411848301 466916659 /nfs/dbraw/zinc/91/66/59/466916659.db2.gz HPKGQKCDBDWREY-UHFFFAOYSA-N 0 3 343.387 2.105 20 5 EEBDHN Cc1c(CC(=O)N2C[C@H](N)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000424074946 466972818 /nfs/dbraw/zinc/97/28/18/466972818.db2.gz KTFLQKDDTKAJTJ-OAHLLOKOSA-N 0 3 325.368 2.362 20 5 EEBDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420924512 467515582 /nfs/dbraw/zinc/51/55/82/467515582.db2.gz JZIKUKMGUCDMLO-STQMWFEESA-N 0 3 338.408 2.234 20 5 EEBDHN O=C(CNc1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431501361 467520972 /nfs/dbraw/zinc/52/09/72/467520972.db2.gz XFYDWTSVWYXGHQ-UHFFFAOYSA-N 0 3 338.383 2.138 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000449975858 467755044 /nfs/dbraw/zinc/75/50/44/467755044.db2.gz YRDXRBYBUIROMR-UHFFFAOYSA-N 0 3 327.356 2.156 20 5 EEBDHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450542496 467867255 /nfs/dbraw/zinc/86/72/55/467867255.db2.gz UMJXZZJAHJTTOA-NWDGAFQWSA-N 0 3 343.387 2.150 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000487946757 468062068 /nfs/dbraw/zinc/06/20/68/468062068.db2.gz CDMIETIPZUHHSN-INIZCTEOSA-N 0 3 334.420 2.114 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(CC2CCC2)CC1 ZINC000550118516 468207510 /nfs/dbraw/zinc/20/75/10/468207510.db2.gz QCRYCCFBCNOLMZ-UHFFFAOYSA-N 0 3 331.416 2.472 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000557060508 468610567 /nfs/dbraw/zinc/61/05/67/468610567.db2.gz RHTXYJQDMSCBRY-AWEZNQCLSA-N 0 3 332.356 2.133 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597603504 468613511 /nfs/dbraw/zinc/61/35/11/468613511.db2.gz CTBHSERPADTUMX-CQSZACIVSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000600894366 468678280 /nfs/dbraw/zinc/67/82/80/468678280.db2.gz UCWIFBOGXAPOOP-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)cc1-n1ccnc1 ZINC000592356298 468682179 /nfs/dbraw/zinc/68/21/79/468682179.db2.gz KSVILYICOAIHRV-LLVKDONJSA-N 0 3 326.316 2.255 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(NC3CCN([C@H]4CCOC4)CC3)c2c1 ZINC000601131596 468755159 /nfs/dbraw/zinc/75/51/59/468755159.db2.gz NEXMOUOOXRHQOW-HNNXBMFYSA-N 0 3 342.399 2.230 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000571242556 468758885 /nfs/dbraw/zinc/75/88/85/468758885.db2.gz SZCLRXXMNYOBHT-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000614533755 468966680 /nfs/dbraw/zinc/96/66/80/468966680.db2.gz VSYDQRDXVMJMAP-GOSISDBHSA-N 0 3 342.399 2.063 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC1=CCCOC1 ZINC000595751096 468988997 /nfs/dbraw/zinc/98/89/97/468988997.db2.gz GOJALCHXNSNGPG-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN C[C@H]1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684417 469009151 /nfs/dbraw/zinc/00/91/51/469009151.db2.gz XWAANZNGFFXINA-WFASDCNBSA-N 0 3 342.403 2.451 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000602782889 469071257 /nfs/dbraw/zinc/07/12/57/469071257.db2.gz XZFHCGWDOQZVCV-OAHLLOKOSA-N 0 3 343.431 2.306 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2c1CCNC2 ZINC000595939148 469093564 /nfs/dbraw/zinc/09/35/64/469093564.db2.gz FLNMSXXWMNCBGF-UHFFFAOYSA-N 0 3 325.368 2.213 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000602820184 469096923 /nfs/dbraw/zinc/09/69/23/469096923.db2.gz XSGMIVISQGGLND-INIZCTEOSA-N 0 3 332.404 2.449 20 5 EEBDHN Cc1ncc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969770 469118007 /nfs/dbraw/zinc/11/80/07/469118007.db2.gz SVSIZSNDSKQNSD-ZYHUDNBSSA-N 0 3 337.401 2.450 20 5 EEBDHN COc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000596070661 469138825 /nfs/dbraw/zinc/13/88/25/469138825.db2.gz RCTAZOSFRMADST-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN CCN(C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205148 469191476 /nfs/dbraw/zinc/19/14/76/469191476.db2.gz JPINBAUHFJIUMO-CZUORRHYSA-N 0 3 333.388 2.059 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000596269589 469226951 /nfs/dbraw/zinc/22/69/51/469226951.db2.gz UQOYUSQLRISBRV-LBPRGKRZSA-N 0 3 336.392 2.087 20 5 EEBDHN CN1CCN(Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000603857416 469437780 /nfs/dbraw/zinc/43/77/80/469437780.db2.gz RIORNMWFEKHZAR-UHFFFAOYSA-N 0 3 341.415 2.349 20 5 EEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000604403078 469476904 /nfs/dbraw/zinc/47/69/04/469476904.db2.gz HOFCRFBUDBUOHW-CQSZACIVSA-N 0 3 327.384 2.432 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000619491166 469623894 /nfs/dbraw/zinc/62/38/94/469623894.db2.gz OQAFFPBCLLZHGE-STQMWFEESA-N 0 3 339.465 2.136 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868406 469691510 /nfs/dbraw/zinc/69/15/10/469691510.db2.gz TXQKMOOYQPQIIS-UHFFFAOYSA-N 0 3 349.435 2.218 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868406 469691514 /nfs/dbraw/zinc/69/15/14/469691514.db2.gz TXQKMOOYQPQIIS-UHFFFAOYSA-N 0 3 349.435 2.218 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411430992 527971425 /nfs/dbraw/zinc/97/14/25/527971425.db2.gz UEJUTJIHPKYGGN-KGLIPLIRSA-N 0 3 334.420 2.338 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451770262 535547636 /nfs/dbraw/zinc/54/76/36/535547636.db2.gz CNHCVLWHQBXNMV-UPJWGTAASA-N 0 3 349.387 2.243 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000425059885 536487835 /nfs/dbraw/zinc/48/78/35/536487835.db2.gz SYSIHVQXEKVIFS-YVEFUNNKSA-N 0 3 342.399 2.171 20 5 EEBDHN CCN(C[C@@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738080567 576430129 /nfs/dbraw/zinc/43/01/29/576430129.db2.gz GWDRMPUNVZMIHS-ZDUSSCGKSA-N 0 3 331.376 2.169 20 5 EEBDHN COc1cc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000771815688 577232296 /nfs/dbraw/zinc/23/22/96/577232296.db2.gz CEEHEFOHTAIYLJ-LLVKDONJSA-N 0 3 346.330 2.108 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000772275260 577261421 /nfs/dbraw/zinc/26/14/21/577261421.db2.gz CYFZDWHMUZSLDO-OAHLLOKOSA-N 0 3 347.415 2.276 20 5 EEBDHN COc1cccc2c1OC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001063 577655749 /nfs/dbraw/zinc/65/57/49/577655749.db2.gz YFHBIYGZZCZLGN-HOCLYGCPSA-N 0 3 344.367 2.230 20 5 EEBDHN COC1CCC(N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749952550 577984480 /nfs/dbraw/zinc/98/44/80/577984480.db2.gz ICTHOCQTQHNWKM-UHFFFAOYSA-N 0 3 333.392 2.495 20 5 EEBDHN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCC(C)(C)C1 ZINC001105558412 1188175860 /nfs/dbraw/zinc/17/58/60/1188175860.db2.gz WJNSLDZYGQVRRZ-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865175513 1198115414 /nfs/dbraw/zinc/11/54/14/1198115414.db2.gz GOTLMYTZENOMCI-UHFFFAOYSA-N 0 3 325.384 2.323 20 5 EEBDHN Cc1ccc(F)cc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873192392 1198526088 /nfs/dbraw/zinc/52/60/88/1198526088.db2.gz FXCHRYJYPRYIMG-IAGOWNOFSA-N 0 3 334.347 2.226 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000876688346 1199723209 /nfs/dbraw/zinc/72/32/09/1199723209.db2.gz ROYFVCYKBFYDTA-ROUUACIJSA-N 0 3 333.432 2.243 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000876987392 1199837787 /nfs/dbraw/zinc/83/77/87/1199837787.db2.gz YNHUJEUWXANELE-UHFFFAOYSA-N 0 3 348.424 2.342 20 5 EEBDHN CCN1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878036042 1200225624 /nfs/dbraw/zinc/22/56/24/1200225624.db2.gz DAVYJCXDPBZORG-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN O=C(Cc1ccc(F)c(F)c1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133043403 1200346305 /nfs/dbraw/zinc/34/63/05/1200346305.db2.gz XPVNIGUYCVBPMV-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN COCCOc1cc(C(=O)OCC(C)[N+](=O)[O-])nc2ccccc21 ZINC000813099894 1201096281 /nfs/dbraw/zinc/09/62/81/1201096281.db2.gz GMYQGUAXYMFSER-NSHDSACASA-N 0 3 334.328 2.082 20 5 EEBDHN CCN(CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001095929161 1226336891 /nfs/dbraw/zinc/33/68/91/1226336891.db2.gz FXYIZAPJYWMYGS-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN O=[N+]([O-])c1ccc(CN(CCN2CCOCC2)CC2CC2)cc1F ZINC000852636535 1292149969 /nfs/dbraw/zinc/14/99/69/1292149969.db2.gz WPWXNHRNUAKUMB-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN COCCN1CC[C@@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856729685 1293608809 /nfs/dbraw/zinc/60/88/09/1293608809.db2.gz PRTODAAHJOLANA-SNVBAGLBSA-N 0 3 344.209 2.490 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677558 1304326557 /nfs/dbraw/zinc/32/65/57/1304326557.db2.gz OVZCUTWZNSWJEW-UKRRQHHQSA-N 0 3 344.795 2.158 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC001156523870 1318052612 /nfs/dbraw/zinc/05/26/12/1318052612.db2.gz WUKYRRZXBFEQDP-INIZCTEOSA-N 0 3 328.372 2.477 20 5 EEBDHN CN(Cc1cnccn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480019 1318084078 /nfs/dbraw/zinc/08/40/78/1318084078.db2.gz ULPSVSAHTUUGMT-UHFFFAOYSA-N 0 3 327.388 2.486 20 5 EEBDHN NCc1ccc2c(n1)N(c1ncnc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001158649511 1319354821 /nfs/dbraw/zinc/35/48/21/1319354821.db2.gz LXSFNJXGOHPITF-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN CN1CCN(CCCNc2cc3cccnc3c([N+](=O)[O-])c2)CC1 ZINC001161708762 1320596593 /nfs/dbraw/zinc/59/65/93/1320596593.db2.gz VLOMATGGRFVGQT-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162760315 1320952288 /nfs/dbraw/zinc/95/22/88/1320952288.db2.gz YQTKULYPXSEOCM-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1ccon1 ZINC001163604178 1321168278 /nfs/dbraw/zinc/16/82/78/1321168278.db2.gz OPUBFJXDDCWETK-UHFFFAOYSA-N 0 3 344.371 2.273 20 5 EEBDHN C[NH+]1CCN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2)CC1 ZINC001210392083 1325263340 /nfs/dbraw/zinc/26/33/40/1325263340.db2.gz AMWXZQGELNBYTM-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN Cc1cc(N(C)CCN(C)CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307165363 1331513059 /nfs/dbraw/zinc/51/30/59/1331513059.db2.gz GQVPTQOMCPFSAV-UHFFFAOYSA-N 0 3 335.326 2.282 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC001343251528 1337331473 /nfs/dbraw/zinc/33/14/73/1337331473.db2.gz OGPFFCIZDZPHAV-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC001343251526 1337331520 /nfs/dbraw/zinc/33/15/20/1337331520.db2.gz OGPFFCIZDZPHAV-KBPBESRZSA-N 0 3 338.433 2.413 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589137371 1348964308 /nfs/dbraw/zinc/96/43/08/1348964308.db2.gz ZKDBIFLQCRNIOB-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589137371 1348964312 /nfs/dbraw/zinc/96/43/12/1348964312.db2.gz ZKDBIFLQCRNIOB-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589137371 1348964315 /nfs/dbraw/zinc/96/43/15/1348964315.db2.gz ZKDBIFLQCRNIOB-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589137371 1348964316 /nfs/dbraw/zinc/96/43/16/1348964316.db2.gz ZKDBIFLQCRNIOB-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590259556 1349234111 /nfs/dbraw/zinc/23/41/11/1349234111.db2.gz KSUAXRVCERAQKR-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590259556 1349234120 /nfs/dbraw/zinc/23/41/20/1349234120.db2.gz KSUAXRVCERAQKR-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590259556 1349234126 /nfs/dbraw/zinc/23/41/26/1349234126.db2.gz KSUAXRVCERAQKR-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590259556 1349234131 /nfs/dbraw/zinc/23/41/31/1349234131.db2.gz KSUAXRVCERAQKR-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261876 1349238556 /nfs/dbraw/zinc/23/85/56/1349238556.db2.gz ZBFTYKOGMPJCHZ-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590261876 1349238560 /nfs/dbraw/zinc/23/85/60/1349238560.db2.gz ZBFTYKOGMPJCHZ-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261876 1349238565 /nfs/dbraw/zinc/23/85/65/1349238565.db2.gz ZBFTYKOGMPJCHZ-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590261876 1349238573 /nfs/dbraw/zinc/23/85/73/1349238573.db2.gz ZBFTYKOGMPJCHZ-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591969438 1349571864 /nfs/dbraw/zinc/57/18/64/1349571864.db2.gz RDPGPLBUEOCMJR-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591969438 1349571867 /nfs/dbraw/zinc/57/18/67/1349571867.db2.gz RDPGPLBUEOCMJR-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897184 1350797690 /nfs/dbraw/zinc/79/76/90/1350797690.db2.gz CXNYTTGRYYUUCF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603897184 1350797692 /nfs/dbraw/zinc/79/76/92/1350797692.db2.gz CXNYTTGRYYUUCF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897184 1350797695 /nfs/dbraw/zinc/79/76/95/1350797695.db2.gz CXNYTTGRYYUUCF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603897184 1350797698 /nfs/dbraw/zinc/79/76/98/1350797698.db2.gz CXNYTTGRYYUUCF-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC001607084063 1351410793 /nfs/dbraw/zinc/41/07/93/1351410793.db2.gz RXLQTRWHKDVRLH-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001607084063 1351410795 /nfs/dbraw/zinc/41/07/95/1351410795.db2.gz RXLQTRWHKDVRLH-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC001607084063 1351410797 /nfs/dbraw/zinc/41/07/97/1351410797.db2.gz RXLQTRWHKDVRLH-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001607084063 1351410798 /nfs/dbraw/zinc/41/07/98/1351410798.db2.gz RXLQTRWHKDVRLH-LBPRGKRZSA-N 0 3 328.376 2.397 20 5 EEBDHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cocn1 ZINC001752247237 1406240644 /nfs/dbraw/zinc/24/06/44/1406240644.db2.gz NWJWUFKRLFVEPO-UHFFFAOYSA-N 0 3 344.371 2.367 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000840252609 782457537 /nfs/dbraw/zinc/45/75/37/782457537.db2.gz XSUJRRTZDHHLOJ-ONGXEEELSA-N 0 3 346.309 2.284 20 5 EEBDHN CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)CN(C)C1CCC1 ZINC001106979472 782757441 /nfs/dbraw/zinc/75/74/41/782757441.db2.gz PNQUKLQGMNYTHQ-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091380502 790513062 /nfs/dbraw/zinc/51/30/62/790513062.db2.gz XDGMVJILGYSIPG-BETUJISGSA-N 0 3 349.435 2.027 20 5 EEBDHN COc1c(C)cnc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000818989142 785355221 /nfs/dbraw/zinc/35/52/21/785355221.db2.gz ZHLDQJATZHZMKZ-MRXNPFEDSA-N 0 3 331.372 2.438 20 5 EEBDHN CN(CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC001107513890 787470876 /nfs/dbraw/zinc/47/08/76/787470876.db2.gz QCASRNKOBRAAAR-AATRIKPKSA-N 0 3 349.435 2.052 20 5 EEBDHN CN(C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671719 787865001 /nfs/dbraw/zinc/86/50/01/787865001.db2.gz UGYWQVFMJGOQRL-SJORKVTESA-N 0 3 343.383 2.047 20 5 EEBDHN CC([C@@H](OC(=O)CCN1CCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845880170 789973210 /nfs/dbraw/zinc/97/32/10/789973210.db2.gz ZAAUEZCVLIDZSR-BDJLRTHQSA-N 0 3 338.335 2.088 20 5 EEBDHN Cc1nc(=N)n([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1CN ZINC001172906201 797132832 /nfs/dbraw/zinc/13/28/32/797132832.db2.gz MVZKPDUZRDOVGM-OAHLLOKOSA-N 0 3 327.388 2.158 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001095233601 797565062 /nfs/dbraw/zinc/56/50/62/797565062.db2.gz FRAPJOQUJPNKPL-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035945 803580380 /nfs/dbraw/zinc/58/03/80/803580380.db2.gz MIHLKVRDVIHEOO-CABCVRRESA-N 0 3 347.415 2.025 20 5 EEBDHN CC(C)N1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000787569334 807155212 /nfs/dbraw/zinc/15/52/12/807155212.db2.gz ANSNGNIPSWLVPV-UHFFFAOYSA-N 0 3 341.433 2.229 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788474175 807542232 /nfs/dbraw/zinc/54/22/32/807542232.db2.gz MISOUMVHGVBJFQ-MRXNPFEDSA-N 0 3 330.388 2.306 20 5 EEBDHN CCc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001129583797 810921906 /nfs/dbraw/zinc/92/19/06/810921906.db2.gz XHRQCWNZGNLAEG-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001130637029 811874450 /nfs/dbraw/zinc/87/44/50/811874450.db2.gz OLLNJVLGFVGNOH-UHFFFAOYSA-N 0 3 342.399 2.173 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncc(Cl)s1 ZINC001131294121 812634497 /nfs/dbraw/zinc/63/44/97/812634497.db2.gz PDSLLDJEYJOCHN-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000174026590 231103440 /nfs/dbraw/zinc/10/34/40/231103440.db2.gz VXDWSPHWPXRHMY-KRWDZBQOSA-N 0 3 349.431 2.160 20 5 EEBDHN COc1cc(CN2CCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000102938672 219242163 /nfs/dbraw/zinc/24/21/63/219242163.db2.gz VJCIIDPMOVROPV-UHFFFAOYSA-N 0 3 337.420 2.386 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112081038 220241882 /nfs/dbraw/zinc/24/18/82/220241882.db2.gz FIDYBXIYSCORBS-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000264214180 246193813 /nfs/dbraw/zinc/19/38/13/246193813.db2.gz UOQDTWIJYKOBFP-UHFFFAOYSA-N 0 3 339.417 2.031 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000491882991 246195182 /nfs/dbraw/zinc/19/51/82/246195182.db2.gz FIXDGHAVYAHLCZ-VOTSOKGWSA-N 0 3 347.415 2.177 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2n[nH]cc2C1 ZINC000118853256 221196916 /nfs/dbraw/zinc/19/69/16/221196916.db2.gz KBEWRQNRTUIGSZ-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270545642 256146521 /nfs/dbraw/zinc/14/65/21/256146521.db2.gz YPSXDOAWGMATGH-LYRGGWFBSA-N 0 3 331.372 2.081 20 5 EEBDHN CS[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270547004 256146883 /nfs/dbraw/zinc/14/68/83/256146883.db2.gz YVPQKMNZQZPADL-SIEMXDPISA-N 0 3 335.429 2.112 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249149500 160375445 /nfs/dbraw/zinc/37/54/45/160375445.db2.gz XKPKQKNQYDGRSU-QWHCGFSZSA-N 0 3 349.387 2.054 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000246743600 160292435 /nfs/dbraw/zinc/29/24/35/160292435.db2.gz HBOPLMMANKZYHT-KBPBESRZSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1Cc1ccccc1 ZINC000342380756 161061040 /nfs/dbraw/zinc/06/10/40/161061040.db2.gz KCMNZKRZMZXMQP-TZMCWYRMSA-N 0 3 328.372 2.316 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCN1C ZINC000343427231 161134908 /nfs/dbraw/zinc/13/49/08/161134908.db2.gz DWIFRNMKKVXNNQ-MWLCHTKSSA-N 0 3 343.330 2.409 20 5 EEBDHN Cc1cc(NCCN(C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352429750 162133276 /nfs/dbraw/zinc/13/32/76/162133276.db2.gz BGKCSZUFKBOZAZ-UHFFFAOYSA-N 0 3 327.388 2.288 20 5 EEBDHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352587121 162201016 /nfs/dbraw/zinc/20/10/16/162201016.db2.gz ZHRUXMOCVSTSOU-NSHDSACASA-N 0 3 347.412 2.133 20 5 EEBDHN CCC[N@@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352587121 162201020 /nfs/dbraw/zinc/20/10/20/162201020.db2.gz ZHRUXMOCVSTSOU-NSHDSACASA-N 0 3 347.412 2.133 20 5 EEBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000355454253 163196070 /nfs/dbraw/zinc/19/60/70/163196070.db2.gz JWMKYWGWPPPXAP-UHFFFAOYSA-N 0 3 341.408 2.291 20 5 EEBDHN Cc1ccnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355723625 163281897 /nfs/dbraw/zinc/28/18/97/163281897.db2.gz UAQNSQJEUNYTIS-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EEBDHN CO[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000359616841 164138170 /nfs/dbraw/zinc/13/81/70/164138170.db2.gz DJLMOZPUIKUJOS-CQSZACIVSA-N 0 3 332.303 2.091 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCCCS(C)(=O)=O ZINC000274747544 269049320 /nfs/dbraw/zinc/04/93/20/269049320.db2.gz LLALBVFAUBBMOA-UHFFFAOYSA-N 0 3 344.433 2.298 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000278655668 269239977 /nfs/dbraw/zinc/23/99/77/269239977.db2.gz MURHJKPRDWPPSL-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000277586784 274315143 /nfs/dbraw/zinc/31/51/43/274315143.db2.gz MTDHMVBGHGERJH-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN Cc1ccc(CN[C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278542770 274369467 /nfs/dbraw/zinc/36/94/67/274369467.db2.gz XSYZAXWBBBZWNC-OAHLLOKOSA-N 0 3 329.404 2.395 20 5 EEBDHN CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000285672079 274772448 /nfs/dbraw/zinc/77/24/48/274772448.db2.gz PZMANNOHIHHYDH-KBPBESRZSA-N 0 3 331.388 2.350 20 5 EEBDHN COCCOCCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289053138 275097315 /nfs/dbraw/zinc/09/73/15/275097315.db2.gz QMRMDCFKYPFHOM-UHFFFAOYSA-N 0 3 349.387 2.387 20 5 EEBDHN COCCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291201343 275281238 /nfs/dbraw/zinc/28/12/38/275281238.db2.gz NFDIRVHNLRHVES-UHFFFAOYSA-N 0 3 349.431 2.097 20 5 EEBDHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(N)c([N+](=O)[O-])c1 ZINC000293840092 293307634 /nfs/dbraw/zinc/30/76/34/293307634.db2.gz CMMVCOWVUHHYBC-KRWDZBQOSA-N 0 3 332.404 2.043 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCC(O)CC3)o2)cc1 ZINC000294912969 293578559 /nfs/dbraw/zinc/57/85/59/293578559.db2.gz SNMCRFSGOOHSAX-UHFFFAOYSA-N 0 3 345.399 2.401 20 5 EEBDHN CC[C@@H](C)N1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296083801 293888131 /nfs/dbraw/zinc/88/81/31/293888131.db2.gz SRHDGHRXZGXZTB-CYBMUJFWSA-N 0 3 335.404 2.231 20 5 EEBDHN C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000488715675 300298531 /nfs/dbraw/zinc/29/85/31/300298531.db2.gz QIBCBWRDLOGUDW-GFCCVEGCSA-N 0 3 332.404 2.004 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000440317940 315123897 /nfs/dbraw/zinc/12/38/97/315123897.db2.gz QUSSNFHCHAYTRA-GFCCVEGCSA-N 0 3 337.424 2.121 20 5 EEBDHN CCO[C@@H]1C[C@](N)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121283 315274665 /nfs/dbraw/zinc/27/46/65/315274665.db2.gz HNZHJJQIUUXWCW-QAPCUYQASA-N 0 3 347.415 2.012 20 5 EEBDHN COc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000447058859 315366026 /nfs/dbraw/zinc/36/60/26/315366026.db2.gz JMJPGQILEGTLCP-UHFFFAOYSA-N 0 3 333.388 2.048 20 5 EEBDHN Cc1c(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862439 465057078 /nfs/dbraw/zinc/05/70/78/465057078.db2.gz JGWFZLPTPCUXOO-ZIAGYGMSSA-N 0 3 326.418 2.349 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339122244 465094879 /nfs/dbraw/zinc/09/48/79/465094879.db2.gz BUPQHJMGVJRTSZ-HNNXBMFYSA-N 0 3 336.392 2.169 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000358698689 465271628 /nfs/dbraw/zinc/27/16/28/465271628.db2.gz MBDLZUDOKBKFNR-CMPLNLGQSA-N 0 3 341.795 2.226 20 5 EEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC000496482536 468276418 /nfs/dbraw/zinc/27/64/18/468276418.db2.gz UXLPMKCZFSNRDZ-UTUOFQBUSA-N 0 3 332.397 2.380 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1CCO ZINC000117340805 462799914 /nfs/dbraw/zinc/79/99/14/462799914.db2.gz AENWXOGBNWOWKV-CYBMUJFWSA-N 0 3 349.387 2.130 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066156939 462856339 /nfs/dbraw/zinc/85/63/39/462856339.db2.gz BZBZASFTNYGVNH-ZDUSSCGKSA-N 0 3 334.376 2.305 20 5 EEBDHN CC(C)N1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC000132471300 462858437 /nfs/dbraw/zinc/85/84/37/462858437.db2.gz VYZTXJLXDYGFMP-GUYCJALGSA-N 0 3 346.431 2.391 20 5 EEBDHN Cc1c(CC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000133653022 462955665 /nfs/dbraw/zinc/95/56/65/462955665.db2.gz FIJMYIUHYLETNY-DOTOQJQBSA-N 0 3 331.416 2.388 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000134016137 462995505 /nfs/dbraw/zinc/99/55/05/462995505.db2.gz MPDCTGYFURIQBA-OCCSQVGLSA-N 0 3 343.387 2.101 20 5 EEBDHN CC(=O)NC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412401 463003145 /nfs/dbraw/zinc/00/31/45/463003145.db2.gz KGEYEBLGJKLGHT-OAHLLOKOSA-N 0 3 335.404 2.212 20 5 EEBDHN CC(C)N1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000068781368 463174730 /nfs/dbraw/zinc/17/47/30/463174730.db2.gz GINLWYZKPPDWEA-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000121833973 463202117 /nfs/dbraw/zinc/20/21/17/463202117.db2.gz MDMPQMXDALTBRA-UHFFFAOYSA-N 0 3 349.362 2.460 20 5 EEBDHN C[C@@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168498 463488189 /nfs/dbraw/zinc/48/81/89/463488189.db2.gz AJLHQHPZYINYST-BQDHKBFISA-N 0 3 333.388 2.469 20 5 EEBDHN CC(C)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000041894481 463519043 /nfs/dbraw/zinc/51/90/43/463519043.db2.gz QUWRGKHAIXGSAJ-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170686164 463694845 /nfs/dbraw/zinc/69/48/45/463694845.db2.gz MDZKXBNKNBXGNR-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CCc1ccc([C@H]2CNCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000261603773 463797531 /nfs/dbraw/zinc/79/75/31/463797531.db2.gz AWIJYJZPQOZIQC-OAHLLOKOSA-N 0 3 329.404 2.037 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261628756 463807558 /nfs/dbraw/zinc/80/75/58/463807558.db2.gz CTBSBMOLRLNRRN-CYBMUJFWSA-N 0 3 335.795 2.128 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000283571280 463928442 /nfs/dbraw/zinc/92/84/42/463928442.db2.gz VQCGOTRDOXJEPA-GFCCVEGCSA-N 0 3 333.388 2.208 20 5 EEBDHN O=C1NCCC[C@@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590971891 468387790 /nfs/dbraw/zinc/38/77/90/468387790.db2.gz UJMRDFNZIHQWLV-CYBMUJFWSA-N 0 3 329.356 2.471 20 5 EEBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000284447983 464195912 /nfs/dbraw/zinc/19/59/12/464195912.db2.gz CJJDYZBAPFFZPV-STQMWFEESA-N 0 3 343.330 2.106 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978309 464218035 /nfs/dbraw/zinc/21/80/35/464218035.db2.gz DBCUIRNVXPPQGS-DZGCQCFKSA-N 0 3 336.388 2.476 20 5 EEBDHN CSc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281213212 464373738 /nfs/dbraw/zinc/37/37/38/464373738.db2.gz BGQLVRDUQQMEOH-RISCZKNCSA-N 0 3 336.417 2.225 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000281756325 464573892 /nfs/dbraw/zinc/57/38/92/464573892.db2.gz YUZYFTRBMXPBAB-CYBMUJFWSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621846 464695067 /nfs/dbraw/zinc/69/50/67/464695067.db2.gz DJMSVMFYYVQMMT-SMDDNHRTSA-N 0 3 330.344 2.249 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170194 464731257 /nfs/dbraw/zinc/73/12/57/464731257.db2.gz RPPITLUZRLEWNY-NXEZZACHSA-N 0 3 337.351 2.098 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282618364 464886671 /nfs/dbraw/zinc/88/66/71/464886671.db2.gz ZPDORDUXIWUMMV-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177067082 464921974 /nfs/dbraw/zinc/92/19/74/464921974.db2.gz MBRCVYNWRXGXTM-OLZOCXBDSA-N 0 3 333.388 2.105 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273688 465002164 /nfs/dbraw/zinc/00/21/64/465002164.db2.gz VTZLOWZWIKBUAL-WBMJQRKESA-N 0 3 331.416 2.471 20 5 EEBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298840188 465520606 /nfs/dbraw/zinc/52/06/06/465520606.db2.gz FSZXZJQQHJERTK-HNNXBMFYSA-N 0 3 328.372 2.490 20 5 EEBDHN Cn1cc(-c2ncc(CNCCc3ccccc3[N+](=O)[O-])cn2)cn1 ZINC000366321352 465651252 /nfs/dbraw/zinc/65/12/52/465651252.db2.gz WBNCICGVEYQFOG-UHFFFAOYSA-N 0 3 338.371 2.118 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000299223651 465654156 /nfs/dbraw/zinc/65/41/56/465654156.db2.gz ONUXGASVHANPGU-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000348545743 465673942 /nfs/dbraw/zinc/67/39/42/465673942.db2.gz LGMMYFRZWXHDMQ-HOTGVXAUSA-N 0 3 330.388 2.341 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330597785 465725053 /nfs/dbraw/zinc/72/50/53/465725053.db2.gz SNOIAUKCNWGAGI-STQMWFEESA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000361064256 465740015 /nfs/dbraw/zinc/74/00/15/465740015.db2.gz BQSLFIOXFLGCBW-BXUZGUMPSA-N 0 3 332.404 2.382 20 5 EEBDHN CN1CCC2(CCCN2C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000371362274 465743693 /nfs/dbraw/zinc/74/36/93/465743693.db2.gz ZAPOEZZAVSVCRL-UHFFFAOYSA-N 0 3 333.388 2.060 20 5 EEBDHN O=c1[nH]cnc2cc(N3CCC[C@@H](N4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000301296151 465936653 /nfs/dbraw/zinc/93/66/53/465936653.db2.gz YGFLPPBFDNISBF-GFCCVEGCSA-N 0 3 343.387 2.308 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346244062 466023559 /nfs/dbraw/zinc/02/35/59/466023559.db2.gz ULTBTOXDPACRSE-WOSRLPQWSA-N 0 3 347.415 2.406 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000555529705 468480725 /nfs/dbraw/zinc/48/07/25/468480725.db2.gz PPCCMQDVTWLZRE-UHFFFAOYSA-N 0 3 346.431 2.341 20 5 EEBDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836107 466264875 /nfs/dbraw/zinc/26/48/75/466264875.db2.gz BWPRFPPFKBCCBF-OIISXLGYSA-N 0 3 338.379 2.486 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000357855025 466266418 /nfs/dbraw/zinc/26/64/18/466266418.db2.gz DEOCAUUFGGZCMZ-ABAIWWIYSA-N 0 3 345.403 2.356 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305743578 466445043 /nfs/dbraw/zinc/44/50/43/466445043.db2.gz UBYNXHAQDGIZGO-QZTJIDSGSA-N 0 3 328.368 2.052 20 5 EEBDHN CS(=O)(=O)c1cccc(N[C@@H]2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000322579907 466633279 /nfs/dbraw/zinc/63/32/79/466633279.db2.gz RPPBVTNWXBQQRV-NEPJUHHUSA-N 0 3 339.417 2.037 20 5 EEBDHN Cc1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354978 467276631 /nfs/dbraw/zinc/27/66/31/467276631.db2.gz MGDAFDJCFAVDEP-KRWDZBQOSA-N 0 3 332.448 2.115 20 5 EEBDHN COc1cc(CN(CCO)[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433197707 467305263 /nfs/dbraw/zinc/30/52/63/467305263.db2.gz UDNMJRHCHFJABV-ZDUSSCGKSA-N 0 3 326.418 2.293 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376156 467384566 /nfs/dbraw/zinc/38/45/66/467384566.db2.gz JQGKKHTWIRWRKD-OCCSQVGLSA-N 0 3 330.392 2.043 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452778401 467422878 /nfs/dbraw/zinc/42/28/78/467422878.db2.gz DQMIANQLDFJBGM-HNNXBMFYSA-N 0 3 349.431 2.097 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000453047021 467457376 /nfs/dbraw/zinc/45/73/76/467457376.db2.gz YXKCIWDRQHJJDH-VKJFTORMSA-N 0 3 332.400 2.455 20 5 EEBDHN CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000591968839 468586342 /nfs/dbraw/zinc/58/63/42/468586342.db2.gz GXTOWSUNUAKQSW-OAHLLOKOSA-N 0 3 334.420 2.263 20 5 EEBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570103634 468589621 /nfs/dbraw/zinc/58/96/21/468589621.db2.gz ACICNCDACJBRMV-INIZCTEOSA-N 0 3 347.415 2.210 20 5 EEBDHN CN1CCC[C@@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000582918000 468617135 /nfs/dbraw/zinc/61/71/35/468617135.db2.gz UXLHMOKTBYBRNT-QGZVFWFLSA-N 0 3 343.387 2.166 20 5 EEBDHN CCCN1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097591 468758655 /nfs/dbraw/zinc/75/86/55/468758655.db2.gz YUCIFEOVTWFSHO-DOTOQJQBSA-N 0 3 343.431 2.492 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000562402311 468950982 /nfs/dbraw/zinc/95/09/82/468950982.db2.gz VFEGUCFGVFMSQZ-TUKIKUTGSA-N 0 3 337.445 2.202 20 5 EEBDHN Cc1cc(N2CCN(C(C)(C)CO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444994 469252539 /nfs/dbraw/zinc/25/25/39/469252539.db2.gz YVNLVOGTDMFFNQ-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN COc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611825178 469330334 /nfs/dbraw/zinc/33/03/34/469330334.db2.gz VWOVUSPYVGCKOY-ZDUSSCGKSA-N 0 3 334.376 2.209 20 5 EEBDHN Cc1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596822947 469370961 /nfs/dbraw/zinc/37/09/61/469370961.db2.gz IPJGHCDSIWXSMD-OAHLLOKOSA-N 0 3 348.403 2.278 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596841009 469378896 /nfs/dbraw/zinc/37/88/96/469378896.db2.gz CKQBPDGRVYCYRM-OAHLLOKOSA-N 0 3 348.403 2.278 20 5 EEBDHN Cc1ccc(NC(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609214574 469903032 /nfs/dbraw/zinc/90/30/32/469903032.db2.gz KCTRASDGDJUFDP-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177867801 529141366 /nfs/dbraw/zinc/14/13/66/529141366.db2.gz KKCVNQOPVVGLLS-HNNXBMFYSA-N 0 3 348.447 2.108 20 5 EEBDHN COc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000731678830 577116181 /nfs/dbraw/zinc/11/61/81/577116181.db2.gz RCNPJVMGQQYJPE-OAHLLOKOSA-N 0 3 332.356 2.435 20 5 EEBDHN CN(C)C(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277115 577456527 /nfs/dbraw/zinc/45/65/27/577456527.db2.gz PGVRDHZLXQSWJQ-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000745980588 577920946 /nfs/dbraw/zinc/92/09/46/577920946.db2.gz DIZVUKNGPCTPDO-OLZOCXBDSA-N 0 3 348.359 2.120 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCN2CCc3ccccc3C2)c1 ZINC000749675446 577979662 /nfs/dbraw/zinc/97/96/62/577979662.db2.gz ZFAXLXMLANHXSO-IBGZPJMESA-N 0 3 341.411 2.276 20 5 EEBDHN Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022032078 676597744 /nfs/dbraw/zinc/59/77/44/676597744.db2.gz OXWDTFHFEZQSLA-OKILXGFUSA-N 0 3 328.372 2.282 20 5 EEBDHN COc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001022883289 678712566 /nfs/dbraw/zinc/71/25/66/678712566.db2.gz AFSFHWTXCBRRKF-BETUJISGSA-N 0 3 345.355 2.247 20 5 EEBDHN Cc1nc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001022884709 678719712 /nfs/dbraw/zinc/71/97/12/678719712.db2.gz PVKVRQZSQQGCIA-OKILXGFUSA-N 0 3 344.371 2.250 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000894445542 682897992 /nfs/dbraw/zinc/89/79/92/682897992.db2.gz OUKPHWGKWUSXSN-JSGCOSHPSA-N 0 3 335.404 2.368 20 5 EEBDHN C[C@]1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892799039 683077488 /nfs/dbraw/zinc/07/74/88/683077488.db2.gz KWGYZQNKSTUARS-SFHVURJKSA-N 0 3 344.415 2.383 20 5 EEBDHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001019996609 683512840 /nfs/dbraw/zinc/51/28/40/683512840.db2.gz JJMSPKLSBZTYGI-HDJSIYSDSA-N 0 3 341.367 2.351 20 5 EEBDHN CC[C@H](CN1CCOCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896617818 685127749 /nfs/dbraw/zinc/12/77/49/685127749.db2.gz KITFSABQGKMNHF-CQSZACIVSA-N 0 3 327.812 2.449 20 5 EEBDHN CC(F)(F)C1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133952451 1199189349 /nfs/dbraw/zinc/18/93/49/1199189349.db2.gz CBPVCFPXMTYLIH-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000813109907 1201121632 /nfs/dbraw/zinc/12/16/32/1201121632.db2.gz QFJOUWNUBZKVPC-ZANVPECISA-N 0 3 328.752 2.116 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882815970 1201949822 /nfs/dbraw/zinc/94/98/22/1201949822.db2.gz VZEVMNLPGBSUAG-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886145171 1202477033 /nfs/dbraw/zinc/47/70/33/1202477033.db2.gz QQMGOYATLHWZMS-JSGCOSHPSA-N 0 3 336.392 2.336 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931897834 1207483464 /nfs/dbraw/zinc/48/34/64/1207483464.db2.gz UYJXWYIYHTVXQR-UHFFFAOYSA-N 0 3 344.774 2.137 20 5 EEBDHN COc1cc(CN[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779072407 1208491571 /nfs/dbraw/zinc/49/15/71/1208491571.db2.gz KSEMEJKANZRDRY-LLVKDONJSA-N 0 3 345.346 2.041 20 5 EEBDHN CC(F)(F)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048643078 1238171244 /nfs/dbraw/zinc/17/12/44/1238171244.db2.gz DVCNQCLVDNHWFL-BETUJISGSA-N 0 3 339.342 2.140 20 5 EEBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccon1 ZINC001001208742 1241824740 /nfs/dbraw/zinc/82/47/40/1241824740.db2.gz PUOMDFZWLVLJKL-UHFFFAOYSA-N 0 3 344.371 2.225 20 5 EEBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001001237703 1241884628 /nfs/dbraw/zinc/88/46/28/1241884628.db2.gz IXNKTCKCYFGPJW-UHFFFAOYSA-N 0 3 344.371 2.225 20 5 EEBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000852726522 1292178354 /nfs/dbraw/zinc/17/83/54/1292178354.db2.gz RFCRNCFRYIBYBF-UHFFFAOYSA-N 0 3 340.351 2.326 20 5 EEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855287297 1293154725 /nfs/dbraw/zinc/15/47/25/1293154725.db2.gz KYMMGMSZFYJMHB-LLVKDONJSA-N 0 3 336.348 2.106 20 5 EEBDHN CCN(CC)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095357629 1296818117 /nfs/dbraw/zinc/81/81/17/1296818117.db2.gz QNQGLWKAEIUXHH-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC001111828262 1303958255 /nfs/dbraw/zinc/95/82/55/1303958255.db2.gz YQDQBZODIYLSHX-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570895 1314502485 /nfs/dbraw/zinc/50/24/85/1314502485.db2.gz UPJCECQOWQDVCU-SVGFKBNWSA-N 0 3 329.400 2.393 20 5 EEBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831749169 1314610194 /nfs/dbraw/zinc/61/01/94/1314610194.db2.gz ARZKGNIRGSNPGL-DGCLKSJQSA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856818 1315625345 /nfs/dbraw/zinc/62/53/45/1315625345.db2.gz BITAFLUOAYANTD-VHSXEESVSA-N 0 3 326.784 2.140 20 5 EEBDHN Cc1cc(Cc2noc(C[C@@H]3CSCCN3)n2)ccc1[N+](=O)[O-] ZINC000843191779 1315863254 /nfs/dbraw/zinc/86/32/54/1315863254.db2.gz MRCQJAISFDURCG-GFCCVEGCSA-N 0 3 334.401 2.125 20 5 EEBDHN CC(C)SCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154795884 1317317546 /nfs/dbraw/zinc/31/75/46/1317317546.db2.gz CSQVIORRSNRHKD-UHFFFAOYSA-N 0 3 325.434 2.332 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCCC[C@@]34CNCCO4)c21 ZINC001155833812 1317754767 /nfs/dbraw/zinc/75/47/67/1317754767.db2.gz PNSBMFLUYYKHKC-WMLDXEAASA-N 0 3 343.387 2.251 20 5 EEBDHN CCN(C(C)=O)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605394 1318142745 /nfs/dbraw/zinc/14/27/45/1318142745.db2.gz BRMZHULBUCLMAZ-GOSISDBHSA-N 0 3 331.416 2.395 20 5 EEBDHN CN(CCN(C)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001157554584 1318711296 /nfs/dbraw/zinc/71/12/96/1318711296.db2.gz SPQZQRIZAVUFHR-UHFFFAOYSA-N 0 3 345.359 2.466 20 5 EEBDHN CCc1cnccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161502266 1320520077 /nfs/dbraw/zinc/52/00/77/1320520077.db2.gz YWJRHDSFXRPFOX-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN Cc1ccc(-c2ccc(-n3cnc4c3CNCC4)nn2)cc1[N+](=O)[O-] ZINC001164316552 1321349244 /nfs/dbraw/zinc/34/92/44/1321349244.db2.gz LXNCMBFHBUWSOF-UHFFFAOYSA-N 0 3 336.355 2.192 20 5 EEBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113769 1351849778 /nfs/dbraw/zinc/84/97/78/1351849778.db2.gz GUSSURPNLHWWCO-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113769 1351849783 /nfs/dbraw/zinc/84/97/83/1351849783.db2.gz GUSSURPNLHWWCO-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)(C)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC001341735871 1337297269 /nfs/dbraw/zinc/29/72/69/1337297269.db2.gz DWNROGADHXFXGC-UHFFFAOYSA-N 0 3 331.376 2.164 20 5 EEBDHN CC(C)Oc1nc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659643 1338737209 /nfs/dbraw/zinc/73/72/09/1338737209.db2.gz OJBOVNCTEDHQPO-STQMWFEESA-N 0 3 336.392 2.052 20 5 EEBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001589981072 1349092096 /nfs/dbraw/zinc/09/20/96/1349092096.db2.gz HRUMMVMAZBHPRU-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@H](NC[C@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564280 1368036441 /nfs/dbraw/zinc/03/64/41/1368036441.db2.gz DUTMFPJRVHDJGQ-FZMZJTMJSA-N 0 3 349.362 2.407 20 5 EEBDHN CN(C)C(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000831121883 1372364908 /nfs/dbraw/zinc/36/49/08/1372364908.db2.gz WOPFMABEPMWDQP-HNNXBMFYSA-N 0 3 335.404 2.009 20 5 EEBDHN COCCCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001755527774 1407592300 /nfs/dbraw/zinc/59/23/00/1407592300.db2.gz OGGFCEGWYGCYSD-UHFFFAOYSA-N 0 3 349.431 2.444 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714972 786434290 /nfs/dbraw/zinc/43/42/90/786434290.db2.gz JTEIPGUPKQTRRD-GJZGRUSLSA-N 0 3 343.387 2.095 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107285482 786721220 /nfs/dbraw/zinc/72/12/20/786721220.db2.gz OQOAQNMGPSUOEC-IHWYPQMZSA-N 0 3 347.350 2.092 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000923315905 789356730 /nfs/dbraw/zinc/35/67/30/789356730.db2.gz MJPLSGIUUIEHTR-WDEREUQCSA-N 0 3 338.795 2.139 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112108875 789936204 /nfs/dbraw/zinc/93/62/04/789936204.db2.gz QAHCIDOPYVCBAF-UHFFFAOYSA-N 0 3 336.436 2.221 20 5 EEBDHN COc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881168 789973739 /nfs/dbraw/zinc/97/37/39/789973739.db2.gz YTNGPQCSKLROCR-ZANVPECISA-N 0 3 335.291 2.188 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2c([nH]1)CCCC2 ZINC001146889762 791563240 /nfs/dbraw/zinc/56/32/40/791563240.db2.gz IHIUVNFLZQHITD-UHFFFAOYSA-N 0 3 342.399 2.321 20 5 EEBDHN CN(C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@@H]1CCOC1 ZINC001172916973 797148922 /nfs/dbraw/zinc/14/89/22/797148922.db2.gz VBOVTWSWTAIVLC-FUHWJXTLSA-N 0 3 345.443 2.247 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CO)c2ccncc2)c1F ZINC001173182678 797280480 /nfs/dbraw/zinc/28/04/80/797280480.db2.gz JTMATQOVDHIJCR-RISCZKNCSA-N 0 3 349.362 2.392 20 5 EEBDHN COCCOc1nccc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224094 797307772 /nfs/dbraw/zinc/30/77/72/797307772.db2.gz LSYIVNFKVQJCMJ-ZDUSSCGKSA-N 0 3 346.387 2.131 20 5 EEBDHN C[C@H](N)c1ccn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC001169233869 803658558 /nfs/dbraw/zinc/65/85/58/803658558.db2.gz TUJANHVDRJTMGR-JTQLQIEISA-N 0 3 326.316 2.383 20 5 EEBDHN COc1ccc(C[C@H](C)NCc2ccnc(OC)n2)c([N+](=O)[O-])c1 ZINC001170304443 809874552 /nfs/dbraw/zinc/87/45/52/809874552.db2.gz BUXUTPATLDPEAE-NSHDSACASA-N 0 3 332.360 2.123 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170354380 809902992 /nfs/dbraw/zinc/90/29/92/809902992.db2.gz KEUFPOIXEQSFLE-CYBMUJFWSA-N 0 3 347.415 2.279 20 5 EEBDHN Cc1c(Cl)cncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129929088 811041161 /nfs/dbraw/zinc/04/11/61/811041161.db2.gz DNBQWVXFGBCDBL-UHFFFAOYSA-N 0 3 348.790 2.471 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930728 812389878 /nfs/dbraw/zinc/38/98/78/812389878.db2.gz VBQGPEKHOFQWHI-AWEZNQCLSA-N 0 3 348.447 2.483 20 5 EEBDHN Cc1noc(C2CC2)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131441437 812832987 /nfs/dbraw/zinc/83/29/87/812832987.db2.gz TTXWBSWJZGYBPA-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN Cc1cc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001131560656 812970600 /nfs/dbraw/zinc/97/06/00/812970600.db2.gz XPXVBGHVWZIWGL-UHFFFAOYSA-N 0 3 342.399 2.435 20 5 EEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808806 282117876 /nfs/dbraw/zinc/11/78/76/282117876.db2.gz CITNYVGJKOYIFP-XJKSGUPXSA-N 0 3 327.388 2.477 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000058161991 214487624 /nfs/dbraw/zinc/48/76/24/214487624.db2.gz OUSBVKVUHWAQEP-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193299185 535194047 /nfs/dbraw/zinc/19/40/47/535194047.db2.gz IZDRRQWFIZCQAN-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN(Cc2ccccc2)C1 ZINC000451714872 243222119 /nfs/dbraw/zinc/22/21/19/243222119.db2.gz WAYABYRSYXUZGR-OAHLLOKOSA-N 0 3 343.431 2.282 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750006 245235096 /nfs/dbraw/zinc/23/50/96/245235096.db2.gz HFRNLVNQIGWREX-LSDHHAIUSA-N 0 3 333.388 2.389 20 5 EEBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093898933 218256303 /nfs/dbraw/zinc/25/63/03/218256303.db2.gz CZJCLCNGCOKGTI-VIFPVBQESA-N 0 3 344.209 2.171 20 5 EEBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273264354 256282017 /nfs/dbraw/zinc/28/20/17/256282017.db2.gz FHWDEUFDJACRQJ-NSHDSACASA-N 0 3 347.375 2.016 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014983 256345968 /nfs/dbraw/zinc/34/59/68/256345968.db2.gz MBVKOZHEGLBEOZ-WOPDTQHZSA-N 0 3 337.376 2.099 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107600646 159333336 /nfs/dbraw/zinc/33/33/36/159333336.db2.gz MNCLQUQLRXZATI-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768000 160082286 /nfs/dbraw/zinc/08/22/86/160082286.db2.gz YIHGZFFLCPROGB-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)[C@H](C)CC ZINC000343793159 161168803 /nfs/dbraw/zinc/16/88/03/161168803.db2.gz ZIIHUZPUNMTQLH-GFCCVEGCSA-N 0 3 343.449 2.166 20 5 EEBDHN COc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c(C)c1OC ZINC000347625107 161468265 /nfs/dbraw/zinc/46/82/65/161468265.db2.gz OBJRWTVJRZXKSO-GFCCVEGCSA-N 0 3 334.376 2.468 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000355429114 163186190 /nfs/dbraw/zinc/18/61/90/163186190.db2.gz YUSBIHAHTYTLGP-ZDUSSCGKSA-N 0 3 340.445 2.473 20 5 EEBDHN CSC1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CCN(C)CC1 ZINC000355459394 163197980 /nfs/dbraw/zinc/19/79/80/163197980.db2.gz UZWYKYUEBAQUDL-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699428 164766829 /nfs/dbraw/zinc/76/68/29/164766829.db2.gz OWVNLZAQFLQLRE-UKPHBRMFSA-N 0 3 338.404 2.374 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)cc1OC(F)F ZINC000364293659 165084443 /nfs/dbraw/zinc/08/44/43/165084443.db2.gz ZBLPAYQRVRBRSG-RYUDHWBXSA-N 0 3 343.330 2.471 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cccc(F)c3)CC2)c1 ZINC000374049699 167010250 /nfs/dbraw/zinc/01/02/50/167010250.db2.gz KVMPJBLPRZHREG-QGZVFWFLSA-N 0 3 348.378 2.171 20 5 EEBDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274760995 269050746 /nfs/dbraw/zinc/05/07/46/269050746.db2.gz XLKDVWGZLNTGHY-SNVBAGLBSA-N 0 3 337.376 2.487 20 5 EEBDHN COCCCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266130353 274019212 /nfs/dbraw/zinc/01/92/12/274019212.db2.gz BUSYHRWUWFTDPI-UHFFFAOYSA-N 0 3 335.360 2.039 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1N(C)C ZINC000271387633 274127878 /nfs/dbraw/zinc/12/78/78/274127878.db2.gz BXBYATHBJBSWGS-LSDHHAIUSA-N 0 3 348.428 2.194 20 5 EEBDHN COc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000275390589 274244999 /nfs/dbraw/zinc/24/49/99/274244999.db2.gz BWWKFSCRLXOMEX-WMLDXEAASA-N 0 3 346.387 2.347 20 5 EEBDHN O=C1CCCN1C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000363525400 275017272 /nfs/dbraw/zinc/01/72/72/275017272.db2.gz NYYQCIFYTZGLPW-INIZCTEOSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579237 275072051 /nfs/dbraw/zinc/07/20/51/275072051.db2.gz XHNNXHFYJBFSLO-QWRGUYRKSA-N 0 3 336.367 2.015 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290150374 275184514 /nfs/dbraw/zinc/18/45/14/275184514.db2.gz CQEQGYUFCMEBQP-OAHLLOKOSA-N 0 3 340.445 2.329 20 5 EEBDHN CN(CCSc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290963180 275256021 /nfs/dbraw/zinc/25/60/21/275256021.db2.gz OUISQYBPIBVIPT-UHFFFAOYSA-N 0 3 346.412 2.313 20 5 EEBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517618 277897727 /nfs/dbraw/zinc/89/77/27/277897727.db2.gz OLLLAFJJGMHRCF-KGLIPLIRSA-N 0 3 331.376 2.468 20 5 EEBDHN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374309106 277917856 /nfs/dbraw/zinc/91/78/56/277917856.db2.gz IHDOQMNNHBKJBF-UKRRQHHQSA-N 0 3 336.411 2.196 20 5 EEBDHN COc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000375375984 278016892 /nfs/dbraw/zinc/01/68/92/278016892.db2.gz AQDPELFYYPFEHF-CABCVRRESA-N 0 3 348.447 2.066 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374314783 280661442 /nfs/dbraw/zinc/66/14/42/280661442.db2.gz XJAWXRMQTZDAOR-CRAIPNDOSA-N 0 3 332.448 2.365 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262725300 289016814 /nfs/dbraw/zinc/01/68/14/289016814.db2.gz GYNIOFBXBSCAPF-QWHCGFSZSA-N 0 3 332.404 2.017 20 5 EEBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000349034010 289145802 /nfs/dbraw/zinc/14/58/02/289145802.db2.gz BTCUUDYOWWWCSC-OAHLLOKOSA-N 0 3 325.384 2.277 20 5 EEBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN(C2CCC2)C1 ZINC000293658122 293263411 /nfs/dbraw/zinc/26/34/11/293263411.db2.gz JAYAIBMFQFABAC-GFCCVEGCSA-N 0 3 332.404 2.123 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000294057056 293359846 /nfs/dbraw/zinc/35/98/46/293359846.db2.gz LVMJOVFXJAERMV-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)s1 ZINC000414552548 313040028 /nfs/dbraw/zinc/04/00/28/313040028.db2.gz DEGKWRRNWQSBAC-WBMJQRKESA-N 0 3 348.424 2.498 20 5 EEBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000541348537 318097436 /nfs/dbraw/zinc/09/74/36/318097436.db2.gz BYMSDKYCMXSHDT-FRRDWIJNSA-N 0 3 326.418 2.160 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC(=O)N(C2CC2)C1 ZINC000563262431 318990221 /nfs/dbraw/zinc/99/02/21/318990221.db2.gz ZRPGJNVRMJSMIO-GFCCVEGCSA-N 0 3 333.388 2.094 20 5 EEBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000564077127 319065624 /nfs/dbraw/zinc/06/56/24/319065624.db2.gz INJQUSFRFVMDOV-AWEZNQCLSA-N 0 3 344.458 2.244 20 5 EEBDHN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000566231240 319262866 /nfs/dbraw/zinc/26/28/66/319262866.db2.gz NUVKWIIMECWHJZ-RNCFNFMXSA-N 0 3 349.309 2.215 20 5 EEBDHN Cc1noc(C)c1C[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191397 320004140 /nfs/dbraw/zinc/00/41/40/320004140.db2.gz DKOVZLWZJPHZEJ-ABAIWWIYSA-N 0 3 349.387 2.160 20 5 EEBDHN COCCN1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000328170620 465057517 /nfs/dbraw/zinc/05/75/17/465057517.db2.gz JZHBXCTUYUKKOM-NSHDSACASA-N 0 3 344.209 2.490 20 5 EEBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000341279463 465090326 /nfs/dbraw/zinc/09/03/26/465090326.db2.gz JUSCYQXHKALUPW-OAHLLOKOSA-N 0 3 342.399 2.789 20 5 EEBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251485 465130038 /nfs/dbraw/zinc/13/00/38/465130038.db2.gz XLBDIOKYURLSKO-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@H]1CCN(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048272 468302819 /nfs/dbraw/zinc/30/28/19/468302819.db2.gz MSZQGPGKSODDFY-YOEHRIQHSA-N 0 3 343.431 2.349 20 5 EEBDHN C[C@H](c1ccncc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127538015 462562858 /nfs/dbraw/zinc/56/28/58/462562858.db2.gz NCVVFRRLJXSEFK-CJNGLKHVSA-N 0 3 331.372 2.423 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000045624669 462602610 /nfs/dbraw/zinc/60/26/10/462602610.db2.gz NUWGNJLWLDSPBY-UHFFFAOYSA-N 0 3 341.371 2.022 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000075108607 462676585 /nfs/dbraw/zinc/67/65/85/462676585.db2.gz ZITBOHPGANAXGM-INIZCTEOSA-N 0 3 346.431 2.407 20 5 EEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000154674606 462795687 /nfs/dbraw/zinc/79/56/87/462795687.db2.gz IAQGNXMPNZQOBL-RDJZCZTQSA-N 0 3 330.388 2.371 20 5 EEBDHN CO[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117338821 462799888 /nfs/dbraw/zinc/79/98/88/462799888.db2.gz YMDZFYHWISDYOO-CYBMUJFWSA-N 0 3 335.360 2.004 20 5 EEBDHN Cc1c(Br)c(N2C[C@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000131386205 462808527 /nfs/dbraw/zinc/80/85/27/462808527.db2.gz YPNKVQXGGCASTB-YUMQZZPRSA-N 0 3 329.198 2.247 20 5 EEBDHN CC(C)CN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000049969514 462980996 /nfs/dbraw/zinc/98/09/96/462980996.db2.gz GBFNVMIQMYCMQC-UHFFFAOYSA-N 0 3 335.404 2.235 20 5 EEBDHN CCc1nn(C)c(NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000092830556 462984829 /nfs/dbraw/zinc/98/48/29/462984829.db2.gz ZSEBSIXZFUOAHX-UHFFFAOYSA-N 0 3 339.440 2.192 20 5 EEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000024239045 463081597 /nfs/dbraw/zinc/08/15/97/463081597.db2.gz PDQMVGAXBLEKFZ-UHFFFAOYSA-N 0 3 327.344 2.344 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000068264028 463112699 /nfs/dbraw/zinc/11/26/99/463112699.db2.gz UQXSTSHSMFYMBS-CQSZACIVSA-N 0 3 345.403 2.303 20 5 EEBDHN O=C(NCC1CC1)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052932178 463119036 /nfs/dbraw/zinc/11/90/36/463119036.db2.gz DNXMFIFRBCFKAJ-INIZCTEOSA-N 0 3 331.416 2.376 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123135251 463319351 /nfs/dbraw/zinc/31/93/51/463319351.db2.gz OWFWQOPKOSSMRR-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000126310492 463624538 /nfs/dbraw/zinc/62/45/38/463624538.db2.gz XLGANZUTTFTVCP-CQSZACIVSA-N 0 3 343.387 2.193 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000126310492 463624545 /nfs/dbraw/zinc/62/45/45/463624545.db2.gz XLGANZUTTFTVCP-CQSZACIVSA-N 0 3 343.387 2.193 20 5 EEBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000268478411 463760284 /nfs/dbraw/zinc/76/02/84/463760284.db2.gz ZOTIGASXNDLHGI-UHFFFAOYSA-N 0 3 348.403 2.329 20 5 EEBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000171223694 463818590 /nfs/dbraw/zinc/81/85/90/463818590.db2.gz VFMOXYCVULYGNY-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@H](NC(=O)C1(N)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000178401177 463893911 /nfs/dbraw/zinc/89/39/11/463893911.db2.gz QBBRRUMWRJSLGJ-LBPRGKRZSA-N 0 3 325.368 2.268 20 5 EEBDHN Cc1c(CC(=O)NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000278805045 463989171 /nfs/dbraw/zinc/98/91/71/463989171.db2.gz ZKLXCSIPMWRAAR-CQSZACIVSA-N 0 3 349.431 2.063 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)c1 ZINC000283973848 464054770 /nfs/dbraw/zinc/05/47/70/464054770.db2.gz MJHBHIFKPZYAJH-UHFFFAOYSA-N 0 3 335.404 2.407 20 5 EEBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000281009862 464298483 /nfs/dbraw/zinc/29/84/83/464298483.db2.gz LOOZJEHGLCWPFE-HNNXBMFYSA-N 0 3 347.415 2.415 20 5 EEBDHN CN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284747458 464322014 /nfs/dbraw/zinc/32/20/14/464322014.db2.gz XFIJYLVMAOFEJQ-GJZGRUSLSA-N 0 3 325.796 2.153 20 5 EEBDHN C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000188896171 464390638 /nfs/dbraw/zinc/39/06/38/464390638.db2.gz LFDDQBQXPIHKJZ-VFADXPBXSA-N 0 3 333.432 2.385 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264606329 464391710 /nfs/dbraw/zinc/39/17/10/464391710.db2.gz YPFXLKBXKZLVDW-CQSZACIVSA-N 0 3 333.388 2.060 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000265759255 464675482 /nfs/dbraw/zinc/67/54/82/464675482.db2.gz CUPXCMIPIBVKRJ-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN C[C@@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000183438637 464864994 /nfs/dbraw/zinc/86/49/94/464864994.db2.gz YRBJSSBGRVWHBJ-LLVKDONJSA-N 0 3 349.366 2.234 20 5 EEBDHN NC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000295705543 464935849 /nfs/dbraw/zinc/93/58/49/464935849.db2.gz MPEOKKKHWMJQRF-UHFFFAOYSA-N 0 3 346.309 2.023 20 5 EEBDHN CCOc1cc(CN[C@H]2CCC(=O)NC23CCC3)ccc1[N+](=O)[O-] ZINC000282910833 464997585 /nfs/dbraw/zinc/99/75/85/464997585.db2.gz XSBYFPNPUYQACY-HNNXBMFYSA-N 0 3 333.388 2.284 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000286767812 465022924 /nfs/dbraw/zinc/02/29/24/465022924.db2.gz ZOXQOCQBSVNWTH-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000371303291 465700711 /nfs/dbraw/zinc/70/07/11/465700711.db2.gz NYXIGXYYRKUUAI-CRAIPNDOSA-N 0 3 332.448 2.053 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357018536 465705470 /nfs/dbraw/zinc/70/54/70/465705470.db2.gz ABHHUXKGBNRRRS-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000338062123 465790507 /nfs/dbraw/zinc/79/05/07/465790507.db2.gz GEEPOXNVWICSNL-CJNGLKHVSA-N 0 3 334.420 2.261 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000330822425 465817300 /nfs/dbraw/zinc/81/73/00/465817300.db2.gz UKDXMJUIGJOHNO-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CCN1CCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447459 465890968 /nfs/dbraw/zinc/89/09/68/465890968.db2.gz MAMRQADXVNFXTP-IRXDYDNUSA-N 0 3 343.431 2.492 20 5 EEBDHN CN1CCC[C@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301269983 465933196 /nfs/dbraw/zinc/93/31/96/465933196.db2.gz HKVRDEPGLWZRRN-AWEZNQCLSA-N 0 3 338.839 2.464 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287605 465986156 /nfs/dbraw/zinc/98/61/56/465986156.db2.gz BRXGYOFJXQEQOX-VXGBXAGGSA-N 0 3 337.376 2.019 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346256342 466034495 /nfs/dbraw/zinc/03/44/95/466034495.db2.gz IPNXTQVCNIUVFC-SNVBAGLBSA-N 0 3 329.784 2.083 20 5 EEBDHN CN(C)Cc1ccccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362984122 466160506 /nfs/dbraw/zinc/16/05/06/466160506.db2.gz YBUCKXDQGDSMKF-UHFFFAOYSA-N 0 3 340.383 2.250 20 5 EEBDHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762280 466265851 /nfs/dbraw/zinc/26/58/51/466265851.db2.gz ASCSEXNIJHDFKI-HRCADAONSA-N 0 3 333.388 2.247 20 5 EEBDHN COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331912113 466301972 /nfs/dbraw/zinc/30/19/72/466301972.db2.gz IECDFAOUCBJKFO-LBPRGKRZSA-N 0 3 333.388 2.350 20 5 EEBDHN CCN1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000354421767 466554870 /nfs/dbraw/zinc/55/48/70/466554870.db2.gz GXYQHUBJRKZAJC-NWDGAFQWSA-N 0 3 345.403 2.416 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808891 466597198 /nfs/dbraw/zinc/59/71/98/466597198.db2.gz VNHYWPXDSMRJGU-SGIREYDYSA-N 0 3 333.388 2.387 20 5 EEBDHN CN(C)c1noc([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374532434 466664107 /nfs/dbraw/zinc/66/41/07/466664107.db2.gz WWGRENRQDBXFKS-AWEZNQCLSA-N 0 3 345.403 2.466 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000365249141 466757111 /nfs/dbraw/zinc/75/71/11/466757111.db2.gz PNIKUKPGODWIQQ-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN Cn1ccnc1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631707 466888202 /nfs/dbraw/zinc/88/82/02/466888202.db2.gz AFULTYGUKFHVCK-HOCLYGCPSA-N 0 3 330.388 2.241 20 5 EEBDHN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631706 466888242 /nfs/dbraw/zinc/88/82/42/466888242.db2.gz AFULTYGUKFHVCK-GOEBONIOSA-N 0 3 330.388 2.241 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433282518 467314682 /nfs/dbraw/zinc/31/46/82/467314682.db2.gz BHGXBXIBKMKCLJ-INIZCTEOSA-N 0 3 330.388 2.285 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000452123149 467332844 /nfs/dbraw/zinc/33/28/44/467332844.db2.gz VBSUWBPZKSAHSD-HNNXBMFYSA-N 0 3 334.420 2.256 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000433804199 467354603 /nfs/dbraw/zinc/35/46/03/467354603.db2.gz XVPMDAHUVRWPDT-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000420436081 467406742 /nfs/dbraw/zinc/40/67/42/467406742.db2.gz AKNFKBMCBCMIEE-JTQLQIEISA-N 0 3 347.824 2.059 20 5 EEBDHN COc1cc(C(=O)N2CCNC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000400774114 467458862 /nfs/dbraw/zinc/45/88/62/467458862.db2.gz WOXRRPLPWSLRCF-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN COc1cccc(C(=O)[N-]c2c[nH+]ccc2-n2cccn2)c1[N+](=O)[O-] ZINC000435873303 467501001 /nfs/dbraw/zinc/50/10/01/467501001.db2.gz CJQVJUKLEBHDRC-UHFFFAOYSA-N 0 3 339.311 2.436 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CN(C)C ZINC000457203883 467776550 /nfs/dbraw/zinc/77/65/50/467776550.db2.gz IZVBQLSJNUCZKQ-SNVBAGLBSA-N 0 3 343.811 2.472 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458294120 467805195 /nfs/dbraw/zinc/80/51/95/467805195.db2.gz VIXHEJWMCYPZNN-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000450303920 467821677 /nfs/dbraw/zinc/82/16/77/467821677.db2.gz KFPRLRBEMHQAHW-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493788805 467983799 /nfs/dbraw/zinc/98/37/99/467983799.db2.gz LNOBLEUDYHKUSX-VOTSOKGWSA-N 0 3 329.360 2.005 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN(CC(C)(C)O)C1CCOCC1 ZINC000530939177 468018774 /nfs/dbraw/zinc/01/87/74/468018774.db2.gz PLIHGFHDEQWFTB-UHFFFAOYSA-N 0 3 338.404 2.355 20 5 EEBDHN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])o1)Cc1ccncc1 ZINC000582263176 468514886 /nfs/dbraw/zinc/51/48/86/468514886.db2.gz HZEKHPSVNYWRJO-UHFFFAOYSA-N 0 3 332.360 2.177 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418818 468579984 /nfs/dbraw/zinc/57/99/84/468579984.db2.gz LVYALHIIRHEHER-RYUDHWBXSA-N 0 3 335.408 2.188 20 5 EEBDHN CCc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000592368134 468684375 /nfs/dbraw/zinc/68/43/75/468684375.db2.gz SZUIOBXNUPGUJV-HNNXBMFYSA-N 0 3 349.412 2.136 20 5 EEBDHN O=C(C[C@H]1NCc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595248423 468792937 /nfs/dbraw/zinc/79/29/37/468792937.db2.gz GZSZIALQVFFXHP-QGZVFWFLSA-N 0 3 325.368 2.488 20 5 EEBDHN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000560506814 468822928 /nfs/dbraw/zinc/82/29/28/468822928.db2.gz INKGVCAVGJOIJS-CYBMUJFWSA-N 0 3 332.404 2.221 20 5 EEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CCCCC1 ZINC000593111614 468875179 /nfs/dbraw/zinc/87/51/79/468875179.db2.gz HBCXCLWSJMYZKP-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000595783359 469007584 /nfs/dbraw/zinc/00/75/84/469007584.db2.gz MXOBDSMJHZPZCH-MRXNPFEDSA-N 0 3 335.404 2.038 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791918 469012042 /nfs/dbraw/zinc/01/20/42/469012042.db2.gz YCZQMWSRFJDYJQ-RDJZCZTQSA-N 0 3 347.415 2.475 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595806978 469020376 /nfs/dbraw/zinc/02/03/76/469020376.db2.gz NTMILIUDRVLJEG-OAHLLOKOSA-N 0 3 334.420 2.263 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Nc2ccccn2)CC1 ZINC000602801641 469085683 /nfs/dbraw/zinc/08/56/83/469085683.db2.gz YGKDNOORPDFDFF-UHFFFAOYSA-N 0 3 330.392 2.071 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602803574 469085991 /nfs/dbraw/zinc/08/59/91/469085991.db2.gz CTRDRHKFEWVYGF-QVQLBTGDSA-N 0 3 336.417 2.188 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000573396774 469122361 /nfs/dbraw/zinc/12/23/61/469122361.db2.gz MHBZCYXOFOJMIN-KRWDZBQOSA-N 0 3 332.404 2.194 20 5 EEBDHN NC(=O)c1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596055317 469130847 /nfs/dbraw/zinc/13/08/47/469130847.db2.gz WDNMCSFZUCXJET-OAHLLOKOSA-N 0 3 340.383 2.380 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1OC ZINC000573608205 469170449 /nfs/dbraw/zinc/17/04/49/469170449.db2.gz FZXOLFWCEAAEQD-OUCADQQQSA-N 0 3 326.418 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611780463 469321827 /nfs/dbraw/zinc/32/18/27/469321827.db2.gz BYQGITFRBCIEJX-JKSUJKDBSA-N 0 3 339.823 2.279 20 5 EEBDHN CO[C@]1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602478186 469333540 /nfs/dbraw/zinc/33/35/40/469333540.db2.gz WFZNATDOCKJINP-KRWDZBQOSA-N 0 3 336.388 2.244 20 5 EEBDHN C[C@@H]1COCCN1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602595103 469377953 /nfs/dbraw/zinc/37/79/53/469377953.db2.gz WEAWTVQJNSGHMN-LLVKDONJSA-N 0 3 347.337 2.424 20 5 EEBDHN CC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000616866235 469526120 /nfs/dbraw/zinc/52/61/20/469526120.db2.gz ZLQJSIKRTYCMBT-AWEZNQCLSA-N 0 3 327.768 2.345 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000610239873 469991850 /nfs/dbraw/zinc/99/18/50/469991850.db2.gz AMPMWGHHSFBBOJ-UHFFFAOYSA-N 0 3 347.415 2.278 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594204671 485603122 /nfs/dbraw/zinc/60/31/22/485603122.db2.gz WMXKGKQVJHIPQQ-HUUCEWRRSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000192496901 534888747 /nfs/dbraw/zinc/88/87/47/534888747.db2.gz PLLFADBONLUTKI-RYUDHWBXSA-N 0 3 326.422 2.231 20 5 EEBDHN CN(Cc1ccc2ccccc2c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266479225 536474192 /nfs/dbraw/zinc/47/41/92/536474192.db2.gz SPIZCJYNIHPYFX-SFHVURJKSA-N 0 3 340.383 2.437 20 5 EEBDHN CC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302792 529203638 /nfs/dbraw/zinc/20/36/38/529203638.db2.gz DUDOKAJXLRUGFQ-UKRRQHHQSA-N 0 3 345.403 2.388 20 5 EEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459782276 535946881 /nfs/dbraw/zinc/94/68/81/535946881.db2.gz TVASBDHEXLKLLO-SUHUHFCYSA-N 0 3 337.376 2.088 20 5 EEBDHN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000771780007 577229513 /nfs/dbraw/zinc/22/95/13/577229513.db2.gz IMOQLCPNZNIYCT-GFCCVEGCSA-N 0 3 347.371 2.440 20 5 EEBDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939851 577587438 /nfs/dbraw/zinc/58/74/38/577587438.db2.gz AYWUSOIEBINAAH-DOTOQJQBSA-N 0 3 344.415 2.316 20 5 EEBDHN Cc1cc(F)cc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000758510694 577626047 /nfs/dbraw/zinc/62/60/47/577626047.db2.gz XFUHIEBSZQMAKN-HNNXBMFYSA-N 0 3 341.408 2.209 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C ZINC000754981645 577817563 /nfs/dbraw/zinc/81/75/63/577817563.db2.gz QJDOEWQJZJLQAI-SSDOTTSWSA-N 0 3 348.172 2.176 20 5 EEBDHN COc1ccccc1OCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749646849 577979398 /nfs/dbraw/zinc/97/93/98/577979398.db2.gz MJJJTADHNXHDSX-HNNXBMFYSA-N 0 3 332.356 2.305 20 5 EEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120323049 674925031 /nfs/dbraw/zinc/92/50/31/674925031.db2.gz VELUNAFVHFZXAA-UHFFFAOYSA-N 0 3 349.478 2.399 20 5 EEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000983006605 681648955 /nfs/dbraw/zinc/64/89/55/681648955.db2.gz MCJYWLHIYHMUEW-AULYBMBSSA-N 0 3 346.412 2.350 20 5 EEBDHN CC1CCN(CC(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001105445880 1187194634 /nfs/dbraw/zinc/19/46/34/1187194634.db2.gz ATUMOEHUZGEJMH-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN Cc1c(CNCCC(=O)NCc2cccnc2)cccc1[N+](=O)[O-] ZINC000873025952 1198477320 /nfs/dbraw/zinc/47/73/20/1198477320.db2.gz FWRFHJHIIDNQSZ-UHFFFAOYSA-N 0 3 328.372 2.094 20 5 EEBDHN CC(C)CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550950 1199666234 /nfs/dbraw/zinc/66/62/34/1199666234.db2.gz IRAUUJNWQBTCPR-MRXNPFEDSA-N 0 3 334.420 2.007 20 5 EEBDHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107330 1201119454 /nfs/dbraw/zinc/11/94/54/1201119454.db2.gz LZOCTXHBVLPEIZ-UKRRQHHQSA-N 0 3 336.388 2.348 20 5 EEBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC2=O)cc1C ZINC000813108220 1201120807 /nfs/dbraw/zinc/12/08/07/1201120807.db2.gz VZLGKOBCPFAWCI-ZIAGYGMSSA-N 0 3 334.372 2.255 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813112619 1201123466 /nfs/dbraw/zinc/12/34/66/1201123466.db2.gz RQQAZAMVDNYVFB-SECBINFHSA-N 0 3 338.751 2.305 20 5 EEBDHN COCCN1[C@H](C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000129103227 1201722543 /nfs/dbraw/zinc/72/25/43/1201722543.db2.gz XDKGWAISJFIZTQ-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN C[C@@H]1CC2(CN1CC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000930762748 1206580984 /nfs/dbraw/zinc/58/09/84/1206580984.db2.gz JYLDIHXMORJEAG-CYBMUJFWSA-N 0 3 327.425 2.375 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932382246 1207594279 /nfs/dbraw/zinc/59/42/79/1207594279.db2.gz IAPJQPAEVQUZDQ-KBXCAEBGSA-N 0 3 343.383 2.470 20 5 EEBDHN Cc1cncc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c1 ZINC001020046797 1229457262 /nfs/dbraw/zinc/45/72/62/1229457262.db2.gz PVROFGSXGGCVPX-WKILWMFISA-N 0 3 340.383 2.349 20 5 EEBDHN CC(C)=CC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048664177 1238229915 /nfs/dbraw/zinc/22/99/15/1238229915.db2.gz UQIYYOSEAPXAEG-IYBDPMFKSA-N 0 3 329.400 2.451 20 5 EEBDHN CSCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050424131 1243568686 /nfs/dbraw/zinc/56/86/86/1243568686.db2.gz KRSLJHOGNAQWDG-UHFFFAOYSA-N 0 3 349.456 2.382 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097077849 1243674450 /nfs/dbraw/zinc/67/44/50/1243674450.db2.gz CKZKEXDYTKJOCV-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN CN(CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097256108 1243881121 /nfs/dbraw/zinc/88/11/21/1243881121.db2.gz WJYNVDIYEDZQAL-BETUJISGSA-N 0 3 349.435 2.027 20 5 EEBDHN O=C(NCc1cccc2c1CCN(C/C=C/Cl)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051290737 1245485946 /nfs/dbraw/zinc/48/59/46/1245485946.db2.gz DQRUJRVZUAYBGM-XJMPPPNISA-N 0 3 349.818 2.079 20 5 EEBDHN CC(C)(CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[N+](=O)[O-] ZINC000826890331 1248103321 /nfs/dbraw/zinc/10/33/21/1248103321.db2.gz MZQSMONTUMWYJF-UHFFFAOYSA-N 0 3 349.431 2.417 20 5 EEBDHN CC(COC(=O)c1nn(C(C)(C)C)cc1Br)[N+](=O)[O-] ZINC000851036709 1277447651 /nfs/dbraw/zinc/44/76/51/1277447651.db2.gz MPSNXSJTBPZYMN-SSDOTTSWSA-N 0 3 334.170 2.223 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001199847988 1285856755 /nfs/dbraw/zinc/85/67/55/1285856755.db2.gz RMEZXYPYXRDIHQ-YVMONPNESA-N 0 3 349.435 2.011 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855899234 1293360441 /nfs/dbraw/zinc/36/04/41/1293360441.db2.gz JDXGBJFWRGQDCB-NSHDSACASA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855899233 1293360531 /nfs/dbraw/zinc/36/05/31/1293360531.db2.gz JDXGBJFWRGQDCB-LLVKDONJSA-N 0 3 338.383 2.166 20 5 EEBDHN Cn1cncc1C[C@H](N)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218978967 1297888782 /nfs/dbraw/zinc/88/87/82/1297888782.db2.gz GOSTUWJIWYZXPQ-HNNXBMFYSA-N 0 3 346.394 2.025 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3)C[C@H]1N2C ZINC001226843160 1301579543 /nfs/dbraw/zinc/57/95/43/1301579543.db2.gz GQHVCLWTIFBRML-SDNTUTLCSA-N 0 3 334.372 2.449 20 5 EEBDHN C[NH+]1CCC2(CC[C@H](COc3nc4ccc([N+](=O)[O-])cc4[n-]3)O2)CC1 ZINC001227741252 1301949187 /nfs/dbraw/zinc/94/91/87/1301949187.db2.gz KCLJKVBBVAOMNV-CYBMUJFWSA-N 0 3 346.387 2.493 20 5 EEBDHN C[NH+]1CCC2(CC[C@H](COc3nc4cc([N+](=O)[O-])ccc4[n-]3)O2)CC1 ZINC001227741252 1301949192 /nfs/dbraw/zinc/94/91/92/1301949192.db2.gz KCLJKVBBVAOMNV-CYBMUJFWSA-N 0 3 346.387 2.493 20 5 EEBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N+](=O)[O-] ZINC001122950580 1310433094 /nfs/dbraw/zinc/43/30/94/1310433094.db2.gz LHRSJSMFCILLLN-IJLUTSLNSA-N 0 3 330.381 2.230 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824809 1317750102 /nfs/dbraw/zinc/75/01/02/1317750102.db2.gz VJYREBBOPRUCGC-GXTWGEPZSA-N 0 3 326.784 2.356 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@](CO)(C(F)(F)F)C1)C2 ZINC001254593943 1318136844 /nfs/dbraw/zinc/13/68/44/1318136844.db2.gz OGWLHSRSANPZKV-KBPBESRZSA-N 0 3 330.306 2.309 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001254610939 1318144469 /nfs/dbraw/zinc/14/44/69/1318144469.db2.gz MVFLVEXJIDCTPE-INIZCTEOSA-N 0 3 340.383 2.395 20 5 EEBDHN CCc1[nH]ccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157427063 1318631826 /nfs/dbraw/zinc/63/18/26/1318631826.db2.gz WWDYTEZXKRSERU-UHFFFAOYSA-N 0 3 330.388 2.395 20 5 EEBDHN COc1cc(N2CCC(NCc3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC001256086874 1318645262 /nfs/dbraw/zinc/64/52/62/1318645262.db2.gz GOPZTTYIDJPSED-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN Cc1nc(Cl)nc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759792 1318841501 /nfs/dbraw/zinc/84/15/01/1318841501.db2.gz NZRWMQOHCYUDME-LBPRGKRZSA-N 0 3 333.779 2.498 20 5 EEBDHN c1ccc2cc3c(cc2c1)ncnc3NCc1nnn2c1CNCCC2 ZINC001162973454 1321001668 /nfs/dbraw/zinc/00/16/68/1321001668.db2.gz KWTFLDLRLXPQQR-UHFFFAOYSA-N 0 3 345.410 2.480 20 5 EEBDHN Cc1ccoc1CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166277544 1321690836 /nfs/dbraw/zinc/69/08/36/1321690836.db2.gz UXOLCJKFWCNAHY-UHFFFAOYSA-N 0 3 331.372 2.335 20 5 EEBDHN Cc1c(CNCCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001261902907 1322195950 /nfs/dbraw/zinc/19/59/50/1322195950.db2.gz GSLOFXOGKLTCMC-UHFFFAOYSA-N 0 3 341.367 2.418 20 5 EEBDHN C[N@H+](CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001609276044 1351918537 /nfs/dbraw/zinc/91/85/37/1351918537.db2.gz DLJZLABVPKYPNT-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+](CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001609276044 1351918540 /nfs/dbraw/zinc/91/85/40/1351918540.db2.gz DLJZLABVPKYPNT-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@H+](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001609276044 1351918542 /nfs/dbraw/zinc/91/85/42/1351918542.db2.gz DLJZLABVPKYPNT-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001609276044 1351918543 /nfs/dbraw/zinc/91/85/43/1351918543.db2.gz DLJZLABVPKYPNT-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC001333502968 1336059922 /nfs/dbraw/zinc/05/99/22/1336059922.db2.gz SSWCAWCOMQMJTR-OLZOCXBDSA-N 0 3 342.396 2.243 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887391 1336748799 /nfs/dbraw/zinc/74/87/99/1336748799.db2.gz FJSPOEZKEFSXLO-MEDUHNTESA-N 0 3 344.415 2.382 20 5 EEBDHN Cc1ccc(N(C)CCNC(=O)CN2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001100346637 1338289690 /nfs/dbraw/zinc/28/96/90/1338289690.db2.gz ARPKFEVXAFLMSB-UHFFFAOYSA-N 0 3 348.447 2.188 20 5 EEBDHN CNc1nccc(C(=O)OCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000848790129 1338764196 /nfs/dbraw/zinc/76/41/96/1338764196.db2.gz KCJBKMMJWZLSEC-UHFFFAOYSA-N 0 3 344.371 2.320 20 5 EEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2CN1 ZINC001580493958 1344526589 /nfs/dbraw/zinc/52/65/89/1344526589.db2.gz ONMLLAQHIFCUHS-JEZWAEDTSA-N 0 3 337.379 2.439 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258863 1349232377 /nfs/dbraw/zinc/23/23/77/1349232377.db2.gz DBAJFDMOISFYQF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590258863 1349232382 /nfs/dbraw/zinc/23/23/82/1349232382.db2.gz DBAJFDMOISFYQF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258863 1349232388 /nfs/dbraw/zinc/23/23/88/1349232388.db2.gz DBAJFDMOISFYQF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590258863 1349232391 /nfs/dbraw/zinc/23/23/91/1349232391.db2.gz DBAJFDMOISFYQF-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258910 1349236211 /nfs/dbraw/zinc/23/62/11/1349236211.db2.gz FOYNSIOUNSAPLF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590258910 1349236216 /nfs/dbraw/zinc/23/62/16/1349236216.db2.gz FOYNSIOUNSAPLF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258910 1349236225 /nfs/dbraw/zinc/23/62/25/1349236225.db2.gz FOYNSIOUNSAPLF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590258910 1349236230 /nfs/dbraw/zinc/23/62/30/1349236230.db2.gz FOYNSIOUNSAPLF-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[NH+](CC)CCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590689332 1349390356 /nfs/dbraw/zinc/39/03/56/1349390356.db2.gz YLDXKTGLFUBDOR-UHFFFAOYSA-N 0 3 336.421 2.350 20 5 EEBDHN CC[NH+](CC)CCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590689332 1349390361 /nfs/dbraw/zinc/39/03/61/1349390361.db2.gz YLDXKTGLFUBDOR-UHFFFAOYSA-N 0 3 336.421 2.350 20 5 EEBDHN C[N@@H+]1CCC[C@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591184472 1349445098 /nfs/dbraw/zinc/44/50/98/1349445098.db2.gz OVAPOCNXLQTWQR-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCC[C@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591184472 1349445100 /nfs/dbraw/zinc/44/51/00/1349445100.db2.gz OVAPOCNXLQTWQR-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@@H+]1CCC[C@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591184472 1349445103 /nfs/dbraw/zinc/44/51/03/1349445103.db2.gz OVAPOCNXLQTWQR-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCC[C@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591184472 1349445105 /nfs/dbraw/zinc/44/51/05/1349445105.db2.gz OVAPOCNXLQTWQR-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603077600 1350635001 /nfs/dbraw/zinc/63/50/01/1350635001.db2.gz FPJYMLGBLIHVMF-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603077600 1350635006 /nfs/dbraw/zinc/63/50/06/1350635006.db2.gz FPJYMLGBLIHVMF-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603077600 1350635007 /nfs/dbraw/zinc/63/50/07/1350635007.db2.gz FPJYMLGBLIHVMF-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603077600 1350635011 /nfs/dbraw/zinc/63/50/11/1350635011.db2.gz FPJYMLGBLIHVMF-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078073 1350635235 /nfs/dbraw/zinc/63/52/35/1350635235.db2.gz SBRMMLQRNVHGRW-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078073 1350635240 /nfs/dbraw/zinc/63/52/40/1350635240.db2.gz SBRMMLQRNVHGRW-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078073 1350635246 /nfs/dbraw/zinc/63/52/46/1350635246.db2.gz SBRMMLQRNVHGRW-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078073 1350635249 /nfs/dbraw/zinc/63/52/49/1350635249.db2.gz SBRMMLQRNVHGRW-NSHDSACASA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081193 1351409473 /nfs/dbraw/zinc/40/94/73/1351409473.db2.gz AZMIKTLJOWIHKE-JSGCOSHPSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001607081193 1351409475 /nfs/dbraw/zinc/40/94/75/1351409475.db2.gz AZMIKTLJOWIHKE-JSGCOSHPSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081193 1351409476 /nfs/dbraw/zinc/40/94/76/1351409476.db2.gz AZMIKTLJOWIHKE-JSGCOSHPSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001607081193 1351409477 /nfs/dbraw/zinc/40/94/77/1351409477.db2.gz AZMIKTLJOWIHKE-JSGCOSHPSA-N 0 3 343.391 2.204 20 5 EEBDHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cn[nH]c1 ZINC001752242726 1406238621 /nfs/dbraw/zinc/23/86/21/1406238621.db2.gz FXNFBXLFDDPGCH-UHFFFAOYSA-N 0 3 343.387 2.102 20 5 EEBDHN CCN(CCNc1nccc(C)c1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001106979568 782760480 /nfs/dbraw/zinc/76/04/80/782760480.db2.gz SOHSLESIWVCSFM-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107391523 787106033 /nfs/dbraw/zinc/10/60/33/787106033.db2.gz JXWJCYUOGKNQOF-CMDGGOBGSA-N 0 3 334.420 2.409 20 5 EEBDHN CC([C@H](OC(=O)C[C@@H]1COC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845873332 789971432 /nfs/dbraw/zinc/97/14/32/789971432.db2.gz CNLSJKPLZHKTFT-FCHSOHFDSA-N 0 3 325.292 2.028 20 5 EEBDHN O=C(COc1ccccc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001171890374 796784813 /nfs/dbraw/zinc/78/48/13/796784813.db2.gz OLEOMYYWOOMMBJ-UHFFFAOYSA-N 0 3 349.412 2.331 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)NCC(C)C)c1F ZINC001173190664 797281813 /nfs/dbraw/zinc/28/18/13/797281813.db2.gz GGRGJDQTHPVUKU-NSHDSACASA-N 0 3 341.383 2.035 20 5 EEBDHN COCCOc1cc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173226549 797310825 /nfs/dbraw/zinc/31/08/25/797310825.db2.gz XQUNTOSLEFORHO-CYBMUJFWSA-N 0 3 346.387 2.131 20 5 EEBDHN COc1cccc(CN2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036545 803580038 /nfs/dbraw/zinc/58/00/38/803580038.db2.gz GKYYZNHXIMBODB-IAGOWNOFSA-N 0 3 333.432 2.258 20 5 EEBDHN COc1cccc(CN2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036547 803580062 /nfs/dbraw/zinc/58/00/62/803580062.db2.gz GKYYZNHXIMBODB-SJORKVTESA-N 0 3 333.432 2.258 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035951 803580287 /nfs/dbraw/zinc/58/02/87/803580287.db2.gz MIHLKVRDVIHEOO-HUUCEWRRSA-N 0 3 347.415 2.025 20 5 EEBDHN COC(=O)[C@@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356149 809903971 /nfs/dbraw/zinc/90/39/71/809903971.db2.gz YNWQHGHFWZQBIC-WFASDCNBSA-N 0 3 348.399 2.419 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccn2ccccc12 ZINC001131176341 812510820 /nfs/dbraw/zinc/51/08/20/812510820.db2.gz YJJYFUAMQUFXGQ-UHFFFAOYSA-N 0 3 338.367 2.367 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000174610997 529831569 /nfs/dbraw/zinc/83/15/69/529831569.db2.gz KBROEORXFRAAPQ-GXTWGEPZSA-N 0 3 335.429 2.382 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908778 219171657 /nfs/dbraw/zinc/17/16/57/219171657.db2.gz JHTXRMRCZIPIJP-HNNXBMFYSA-N 0 3 349.431 2.458 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000426930817 241356693 /nfs/dbraw/zinc/35/66/93/241356693.db2.gz FFMLNKJYBHCERF-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1COCCN1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549156 243152545 /nfs/dbraw/zinc/15/25/45/243152545.db2.gz PBLGVRACBIXSIF-DOTOQJQBSA-N 0 3 333.432 2.495 20 5 EEBDHN C[C@H]1COCCN1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549162 243153754 /nfs/dbraw/zinc/15/37/54/243153754.db2.gz PBLGVRACBIXSIF-RDJZCZTQSA-N 0 3 333.432 2.495 20 5 EEBDHN C[C@H](N[C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597819 243172078 /nfs/dbraw/zinc/17/20/78/243172078.db2.gz DLUPKRYTQYNYTO-FABXCBLPSA-N 0 3 347.415 2.309 20 5 EEBDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000451888786 243293712 /nfs/dbraw/zinc/29/37/12/243293712.db2.gz JLJKSVOJJPURDS-LBPRGKRZSA-N 0 3 331.376 2.491 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000492311166 295643220 /nfs/dbraw/zinc/64/32/20/295643220.db2.gz HHEUAVJOCOHVOO-AZJURWTESA-N 0 3 335.429 2.112 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCOCC3)CC2)c(F)c1 ZINC000267087454 256025806 /nfs/dbraw/zinc/02/58/06/256025806.db2.gz ZYELUCAMSSHQHN-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267114209 256028128 /nfs/dbraw/zinc/02/81/28/256028128.db2.gz ODDXPVPYNPBZKH-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN CN(C)[C@@H]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220434 256038873 /nfs/dbraw/zinc/03/88/73/256038873.db2.gz CXUANUJURYIGPS-VXGBXAGGSA-N 0 3 341.433 2.283 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273027481 256258118 /nfs/dbraw/zinc/25/81/18/256258118.db2.gz FOVYWDGSKYPTSB-IRXDYDNUSA-N 0 3 349.387 2.089 20 5 EEBDHN COc1ccc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076496 256263318 /nfs/dbraw/zinc/26/33/18/256263318.db2.gz POYUXDPMOQZGHV-SJORKVTESA-N 0 3 349.387 2.089 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274288492 256370739 /nfs/dbraw/zinc/37/07/39/256370739.db2.gz LTROAPDYHRNTBO-SWLSCSKDSA-N 0 3 328.372 2.173 20 5 EEBDHN CN(C)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000088300246 159175384 /nfs/dbraw/zinc/17/53/84/159175384.db2.gz KGEHLGFQBVOMKX-UHFFFAOYSA-N 0 3 335.145 2.173 20 5 EEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])cc1Br ZINC000234270642 160218308 /nfs/dbraw/zinc/21/83/08/160218308.db2.gz IFUZSRCTWUHPIT-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN COC[C@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342705233 161084342 /nfs/dbraw/zinc/08/43/42/161084342.db2.gz TVTWSIKGTULXJN-WMLDXEAASA-N 0 3 347.415 2.449 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343446090 161136984 /nfs/dbraw/zinc/13/69/84/161136984.db2.gz LUXCDTFLHCPJHH-BXUZGUMPSA-N 0 3 332.404 2.382 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000344120978 161200313 /nfs/dbraw/zinc/20/03/13/161200313.db2.gz SBHGJOGXLDTDGO-RRQGHBQHSA-N 0 3 347.415 2.340 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000344397369 161223299 /nfs/dbraw/zinc/22/32/99/161223299.db2.gz SQHRBFYTWPBMDZ-DLBZAZTESA-N 0 3 333.388 2.389 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000345315553 161291317 /nfs/dbraw/zinc/29/13/17/161291317.db2.gz OIKXOTGKTATZIN-UHFFFAOYSA-N 0 3 336.373 2.244 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCOCC(F)(F)F)C2)nc1 ZINC000345672120 161321424 /nfs/dbraw/zinc/32/14/24/161321424.db2.gz ZEYYGSHZDFOMNR-LLVKDONJSA-N 0 3 348.325 2.445 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352355138 162101611 /nfs/dbraw/zinc/10/16/11/162101611.db2.gz GINXDAUJKKUZOP-CQSZACIVSA-N 0 3 330.388 2.300 20 5 EEBDHN CN(CCC(=O)Nc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000352539325 162178285 /nfs/dbraw/zinc/17/82/85/162178285.db2.gz XGENYNWYVYVBNV-UHFFFAOYSA-N 0 3 328.372 2.493 20 5 EEBDHN Cc1c(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359214017 164084325 /nfs/dbraw/zinc/08/43/25/164084325.db2.gz PEIUBAJWQVOEDP-NHYWBVRUSA-N 0 3 332.404 2.185 20 5 EEBDHN CC(=O)c1cc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000376174278 167276007 /nfs/dbraw/zinc/27/60/07/167276007.db2.gz QMGLNHSTKZFDHZ-INIZCTEOSA-N 0 3 346.431 2.014 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842795 274218896 /nfs/dbraw/zinc/21/88/96/274218896.db2.gz NZJPTIXKVCSAMF-KBXCAEBGSA-N 0 3 332.448 2.198 20 5 EEBDHN C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374309107 274595632 /nfs/dbraw/zinc/59/56/32/274595632.db2.gz IHDOQMNNHBKJBF-ZFWWWQNUSA-N 0 3 336.411 2.196 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000288451421 275059870 /nfs/dbraw/zinc/05/98/70/275059870.db2.gz ZACBZZPDTMWTFQ-OCCSQVGLSA-N 0 3 328.372 2.316 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000289095494 275099105 /nfs/dbraw/zinc/09/91/05/275099105.db2.gz RCKPLAFUAIRWRJ-GFCCVEGCSA-N 0 3 337.767 2.004 20 5 EEBDHN CC(C)C[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160908842 275597374 /nfs/dbraw/zinc/59/73/74/275597374.db2.gz MFAOXMSXDXBWKY-INIZCTEOSA-N 0 3 335.404 2.338 20 5 EEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000153543356 276164133 /nfs/dbraw/zinc/16/41/33/276164133.db2.gz UHHIUVGBJQNPRJ-UHFFFAOYSA-N 0 3 328.372 2.311 20 5 EEBDHN COc1cc(NC[C@@H](O)CN2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301925727 294911824 /nfs/dbraw/zinc/91/18/24/294911824.db2.gz LHUACUVPHDILKO-GFCCVEGCSA-N 0 3 341.383 2.247 20 5 EEBDHN CCCN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OCC)CC1=O ZINC000421353641 314090291 /nfs/dbraw/zinc/09/02/91/314090291.db2.gz PTIXTMBAXLISOA-CYBMUJFWSA-N 0 3 335.404 2.342 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCCc1ccccc1 ZINC000449121080 315418969 /nfs/dbraw/zinc/41/89/69/315418969.db2.gz FXZQSMXREOEYIO-OAHLLOKOSA-N 0 3 341.411 2.474 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000515642406 316509956 /nfs/dbraw/zinc/50/99/56/316509956.db2.gz GIUAMGMLDKWVKM-MRXNPFEDSA-N 0 3 341.367 2.107 20 5 EEBDHN CC[C@@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862641 318011523 /nfs/dbraw/zinc/01/15/23/318011523.db2.gz KHXLBFHIRHMLBU-CHWSQXEVSA-N 0 3 341.433 2.041 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576407401 320169354 /nfs/dbraw/zinc/16/93/54/320169354.db2.gz LBBMKOZQAUSLDY-QGZVFWFLSA-N 0 3 343.387 2.021 20 5 EEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182298068 323371863 /nfs/dbraw/zinc/37/18/63/323371863.db2.gz RPKBAWGBJPURPM-OCCSQVGLSA-N 0 3 337.376 2.089 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069296 465071618 /nfs/dbraw/zinc/07/16/18/465071618.db2.gz PKHNYTRHYKCLFF-YMRXKLBXSA-N 0 3 347.415 2.133 20 5 EEBDHN COc1cccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000356311027 465305978 /nfs/dbraw/zinc/30/59/78/465305978.db2.gz ITZUBQPBNHMCFF-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298151088 465315778 /nfs/dbraw/zinc/31/57/78/465315778.db2.gz GXHUSNOBBQKBFH-UHFFFAOYSA-N 0 3 341.433 2.088 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521129875 468290014 /nfs/dbraw/zinc/29/00/14/468290014.db2.gz RNSZCTMAYCGFQP-AWEZNQCLSA-N 0 3 335.404 2.137 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000046953361 462726299 /nfs/dbraw/zinc/72/62/99/462726299.db2.gz POOOCLLIJUDFIT-KGLIPLIRSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000121234537 463102613 /nfs/dbraw/zinc/10/26/13/463102613.db2.gz NHEIHCBXNGHLKR-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN CN(C)Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000068185921 463102852 /nfs/dbraw/zinc/10/28/52/463102852.db2.gz GIJBSTUQGQWRDT-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000078689640 463141783 /nfs/dbraw/zinc/14/17/83/463141783.db2.gz MHIJTAGQJCBYNN-ZDUSSCGKSA-N 0 3 342.403 2.068 20 5 EEBDHN CN(C(=O)CN1CCN(C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000027120061 463182278 /nfs/dbraw/zinc/18/22/78/463182278.db2.gz XGOUEXOWYDQGOC-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000124404874 463420167 /nfs/dbraw/zinc/42/01/67/463420167.db2.gz CCVOOPONNGIUDO-UHFFFAOYSA-N 0 3 328.372 2.493 20 5 EEBDHN COCCCN(C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000152531951 463700818 /nfs/dbraw/zinc/70/08/18/463700818.db2.gz PZJMWOKXHUACAN-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000286953654 463752723 /nfs/dbraw/zinc/75/27/23/463752723.db2.gz IQTFLSCNVJTDIT-QMMMGPOBSA-N 0 3 332.307 2.268 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1OC ZINC000276997944 463835938 /nfs/dbraw/zinc/83/59/38/463835938.db2.gz NXKPFGOFCIRZHR-JSGCOSHPSA-N 0 3 337.376 2.089 20 5 EEBDHN Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000269312118 463949566 /nfs/dbraw/zinc/94/95/66/463949566.db2.gz AJMDRTSBSDGLGY-SNVBAGLBSA-N 0 3 334.380 2.012 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263702475 464160135 /nfs/dbraw/zinc/16/01/35/464160135.db2.gz IYLDYNGYLHHEHV-OAHLLOKOSA-N 0 3 349.431 2.458 20 5 EEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000188310344 464250143 /nfs/dbraw/zinc/25/01/43/464250143.db2.gz VVWAYERIUNGGFP-UHFFFAOYSA-N 0 3 345.403 2.084 20 5 EEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000188310344 464250147 /nfs/dbraw/zinc/25/01/47/464250147.db2.gz VVWAYERIUNGGFP-UHFFFAOYSA-N 0 3 345.403 2.084 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000284810238 464350597 /nfs/dbraw/zinc/35/05/97/464350597.db2.gz KRMRGJSNLQPFSR-FUHWJXTLSA-N 0 3 349.431 2.287 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271761747 464374329 /nfs/dbraw/zinc/37/43/29/464374329.db2.gz GXHUFPPEMSOWKB-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000271783425 464384184 /nfs/dbraw/zinc/38/41/84/464384184.db2.gz VVMMTBAABZIMEF-LBPRGKRZSA-N 0 3 349.412 2.136 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264647311 464408203 /nfs/dbraw/zinc/40/82/03/464408203.db2.gz WJLFBXGKMNNJNJ-PBHICJAKSA-N 0 3 346.431 2.482 20 5 EEBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000271913236 464410414 /nfs/dbraw/zinc/41/04/14/464410414.db2.gz IWUABFKTFBZGAN-UHFFFAOYSA-N 0 3 344.415 2.187 20 5 EEBDHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000294293835 464457563 /nfs/dbraw/zinc/45/75/63/464457563.db2.gz FHVGSSFEHBHEHT-UHFFFAOYSA-N 0 3 337.351 2.099 20 5 EEBDHN CN1CC[C@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272208094 464518125 /nfs/dbraw/zinc/51/81/25/464518125.db2.gz PTRNUODGJDRUNL-SJCJKPOMSA-N 0 3 344.415 2.017 20 5 EEBDHN CCC[C@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000285388041 464545123 /nfs/dbraw/zinc/54/51/23/464545123.db2.gz BTEAVHZUBYPWIR-KRWDZBQOSA-N 0 3 333.388 2.033 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426751 464603969 /nfs/dbraw/zinc/60/39/69/464603969.db2.gz CEJVJLJNCUHNBB-DOTOQJQBSA-N 0 3 346.431 2.263 20 5 EEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000591155766 468418080 /nfs/dbraw/zinc/41/80/80/468418080.db2.gz TYJUFRVXAVBZBA-QWHCGFSZSA-N 0 3 326.397 2.145 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373461 464896392 /nfs/dbraw/zinc/89/63/92/464896392.db2.gz YUKGZBYPIUXDJD-GZBFAFLISA-N 0 3 335.404 2.371 20 5 EEBDHN CC(C)N1CCN(C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000286437315 464917899 /nfs/dbraw/zinc/91/78/99/464917899.db2.gz IKZALANHTFDILR-UHFFFAOYSA-N 0 3 347.463 2.172 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177067125 464922583 /nfs/dbraw/zinc/92/25/83/464922583.db2.gz MBRCVYNWRXGXTM-QWHCGFSZSA-N 0 3 333.388 2.105 20 5 EEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN(C2CC2)C1 ZINC000295781403 464962792 /nfs/dbraw/zinc/96/27/92/464962792.db2.gz XZNQPVVOTXRSTP-CYBMUJFWSA-N 0 3 346.431 2.217 20 5 EEBDHN CC(C)[C@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358815167 465337918 /nfs/dbraw/zinc/33/79/18/465337918.db2.gz VSUSKXVMECYSTJ-LBPRGKRZSA-N 0 3 329.784 2.183 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnnn1CCN(C)C ZINC000351829179 465386807 /nfs/dbraw/zinc/38/68/07/465386807.db2.gz LYTSMXQLJBHENZ-NSHDSACASA-N 0 3 336.421 2.305 20 5 EEBDHN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000342940723 465403038 /nfs/dbraw/zinc/40/30/38/465403038.db2.gz UNNNILFNDJMQGE-CYBMUJFWSA-N 0 3 336.411 2.339 20 5 EEBDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357012283 465699878 /nfs/dbraw/zinc/69/98/78/465699878.db2.gz QQLILWXTACGHQM-SNVBAGLBSA-N 0 3 335.360 2.382 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000362516364 465797996 /nfs/dbraw/zinc/79/79/96/465797996.db2.gz OXVMQLYEMGJILA-BUPRPMBJSA-N 0 3 336.388 2.018 20 5 EEBDHN CC[C@@H]1CN(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000362671797 465927776 /nfs/dbraw/zinc/92/77/76/465927776.db2.gz LYFPTPYCZVGPBB-OAHLLOKOSA-N 0 3 344.415 2.396 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CC2)CCOCC1 ZINC000367016107 466073366 /nfs/dbraw/zinc/07/33/66/466073366.db2.gz OKYZSOPFBVFVDZ-UHFFFAOYSA-N 0 3 349.387 2.091 20 5 EEBDHN Cc1cccc(NC[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363354116 466362326 /nfs/dbraw/zinc/36/23/26/466362326.db2.gz XQQYARFBKCPXRB-AWEZNQCLSA-N 0 3 330.392 2.071 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127156 467020031 /nfs/dbraw/zinc/02/00/31/467020031.db2.gz KWAUNEZJUDDUGU-SJWGOKEGSA-N 0 3 331.416 2.497 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000451082837 467243124 /nfs/dbraw/zinc/24/31/24/467243124.db2.gz GYDBPAWZUUVJPP-ZDUSSCGKSA-N 0 3 346.431 2.258 20 5 EEBDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314168 467324038 /nfs/dbraw/zinc/32/40/38/467324038.db2.gz HPEOKAOWWGBOAH-FZMZJTMJSA-N 0 3 341.367 2.384 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000394312080 467433140 /nfs/dbraw/zinc/43/31/40/467433140.db2.gz NEJZAYRQCVYACI-KGLIPLIRSA-N 0 3 332.404 2.335 20 5 EEBDHN CCN(CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000448982965 467610243 /nfs/dbraw/zinc/61/02/43/467610243.db2.gz YUIBEBYIYYXERR-UHFFFAOYSA-N 0 3 335.404 2.404 20 5 EEBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265641 468040508 /nfs/dbraw/zinc/04/05/08/468040508.db2.gz QSQYTHSKWQUKRD-OTYXRUKQSA-N 0 3 327.768 2.344 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000488037781 468068387 /nfs/dbraw/zinc/06/83/87/468068387.db2.gz GYVQOXVNWZJLTP-MRXNPFEDSA-N 0 3 334.420 2.114 20 5 EEBDHN CNC(=O)c1ccc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753698 468101974 /nfs/dbraw/zinc/10/19/74/468101974.db2.gz NDNVWQJDFRWZQK-DVOMOZLQSA-N 0 3 346.431 2.121 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752885 468102063 /nfs/dbraw/zinc/10/20/63/468102063.db2.gz YPCBXIFATSSGSG-SRVKXCTJSA-N 0 3 335.433 2.471 20 5 EEBDHN CC(C)(NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000489032877 468117183 /nfs/dbraw/zinc/11/71/83/468117183.db2.gz BQICHWZMRCHUAK-GFCCVEGCSA-N 0 3 332.404 2.366 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1CN(C)C ZINC000518579919 468120897 /nfs/dbraw/zinc/12/08/97/468120897.db2.gz OFJGOMSVJVIIPH-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCC3CCOCC3)CC2)cn1 ZINC000519502043 468164399 /nfs/dbraw/zinc/16/43/99/468164399.db2.gz KPLFFDXCWYLUFE-UHFFFAOYSA-N 0 3 334.420 2.319 20 5 EEBDHN CC(C)(C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590033664 468206751 /nfs/dbraw/zinc/20/67/51/468206751.db2.gz WNFWWURXKGTZME-CQSZACIVSA-N 0 3 331.416 2.473 20 5 EEBDHN CC1(C)CN(c2ccnc3c2cccc3[N+](=O)[O-])CCN1CCO ZINC000590084572 468212398 /nfs/dbraw/zinc/21/23/98/468212398.db2.gz GKMKOTNAPLUCIN-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594596543 468630925 /nfs/dbraw/zinc/63/09/25/468630925.db2.gz ANQLUUJNPQVLLZ-YPMHNXCESA-N 0 3 334.376 2.205 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594598716 468631500 /nfs/dbraw/zinc/63/15/00/468631500.db2.gz HQEZMEYAVPPOIY-JKSUJKDBSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1ccc(CC(=O)N2CCNC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628940 468639516 /nfs/dbraw/zinc/63/95/16/468639516.db2.gz QPKGEXKZVGTVNW-UHFFFAOYSA-N 0 3 347.415 2.281 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCC(OC)CC1 ZINC000595010707 468743152 /nfs/dbraw/zinc/74/31/52/468743152.db2.gz DJPLGTCHBLMWLU-ZDUSSCGKSA-N 0 3 337.420 2.365 20 5 EEBDHN CC(C)(CO)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601115783 468746451 /nfs/dbraw/zinc/74/64/51/468746451.db2.gz CDTRTRUHNNTRJT-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCN(CCCO)C1 ZINC000595043255 468748196 /nfs/dbraw/zinc/74/81/96/468748196.db2.gz VOQZWXVPPLSEDJ-UONOGXRCSA-N 0 3 337.420 2.101 20 5 EEBDHN CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592830079 468798862 /nfs/dbraw/zinc/79/88/62/468798862.db2.gz BGOQIBPPEUIAGW-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000602644938 468983829 /nfs/dbraw/zinc/98/38/29/468983829.db2.gz PJMJNACIMZTQCG-VXGBXAGGSA-N 0 3 348.321 2.348 20 5 EEBDHN O=c1[nH]ccc(NC2CCN(Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000596211401 469205032 /nfs/dbraw/zinc/20/50/32/469205032.db2.gz RMCBSGAREAXUPY-UHFFFAOYSA-N 0 3 329.360 2.167 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476368 469269710 /nfs/dbraw/zinc/26/97/10/469269710.db2.gz QYLXIVPZNAISCW-SECBINFHSA-N 0 3 342.193 2.181 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000616091074 469365719 /nfs/dbraw/zinc/36/57/19/469365719.db2.gz KRLNFCJXDBFNFP-NSHDSACASA-N 0 3 344.314 2.424 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000619543501 469634691 /nfs/dbraw/zinc/63/46/91/469634691.db2.gz XAAVPUGYAUQMOQ-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609383104 469923201 /nfs/dbraw/zinc/92/32/01/469923201.db2.gz JEXMCPLTJZVACC-LBPRGKRZSA-N 0 3 328.372 2.290 20 5 EEBDHN CC(C)(O)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000618284493 469950097 /nfs/dbraw/zinc/95/00/97/469950097.db2.gz NDDDMOPLSWRORC-UHFFFAOYSA-N 0 3 348.403 2.223 20 5 EEBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766295 469959495 /nfs/dbraw/zinc/95/94/95/469959495.db2.gz HBWVHNYMYPBFNB-GFCCVEGCSA-N 0 3 335.360 2.004 20 5 EEBDHN CC1([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183833348 528058220 /nfs/dbraw/zinc/05/82/20/528058220.db2.gz JMUVCPWKHSKKHB-AWEZNQCLSA-N 0 3 336.388 2.449 20 5 EEBDHN Cn1ccnc1[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028586 577589181 /nfs/dbraw/zinc/58/91/81/577589181.db2.gz GOUOSTQFJKPMLP-ZBFHGGJFSA-N 0 3 330.388 2.241 20 5 EEBDHN CCNC(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678310 577979748 /nfs/dbraw/zinc/97/97/48/577979748.db2.gz RIOSMTQALCOAKQ-KRWDZBQOSA-N 0 3 343.383 2.168 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000749802568 577982119 /nfs/dbraw/zinc/98/21/19/577982119.db2.gz YFGMHXXSBCCKAJ-HUUCEWRRSA-N 0 3 343.387 2.169 20 5 EEBDHN CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821254872 599046195 /nfs/dbraw/zinc/04/61/95/599046195.db2.gz PCXWFFFLNNGFSW-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821254872 599046198 /nfs/dbraw/zinc/04/61/98/599046198.db2.gz PCXWFFFLNNGFSW-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN COC1CCN(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892853606 683137899 /nfs/dbraw/zinc/13/78/99/683137899.db2.gz NCLKTLDVZPIRBB-UHFFFAOYSA-N 0 3 348.378 2.227 20 5 EEBDHN Cc1nc(CC(F)(F)F)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000893046878 683643050 /nfs/dbraw/zinc/64/30/50/683643050.db2.gz GJCHFVILBOROLP-ZCFIWIBFSA-N 0 3 326.296 2.307 20 5 EEBDHN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930655129 684328077 /nfs/dbraw/zinc/32/80/77/684328077.db2.gz NTBUSZVTTKFNHT-ZIAGYGMSSA-N 0 3 327.425 2.232 20 5 EEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264530 684386541 /nfs/dbraw/zinc/38/65/41/684386541.db2.gz FUFKGLBZGZQHDA-HOTGVXAUSA-N 0 3 332.404 2.015 20 5 EEBDHN Cc1c(CNCCNC(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873031374 1198478829 /nfs/dbraw/zinc/47/88/29/1198478829.db2.gz RGFOAMBZOCGTRY-UHFFFAOYSA-N 0 3 345.374 2.491 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC1(CS(C)(=O)=O)CC1 ZINC000873071139 1198491146 /nfs/dbraw/zinc/49/11/46/1198491146.db2.gz JUNRHZQNLRFWFQ-UHFFFAOYSA-N 0 3 326.418 2.126 20 5 EEBDHN Cc1ccc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)cc1F ZINC000813113489 1201123535 /nfs/dbraw/zinc/12/35/35/1201123535.db2.gz QRWHYWORZAROTI-JTQLQIEISA-N 0 3 337.307 2.325 20 5 EEBDHN Cc1ccc(-n2nc(C(=O)OCC(C)[N+](=O)[O-])c3c2CCC3)cc1 ZINC000813114692 1201124652 /nfs/dbraw/zinc/12/46/52/1201124652.db2.gz GBNRVDBFXFIRDN-LBPRGKRZSA-N 0 3 329.356 2.491 20 5 EEBDHN CC[C@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641175 1234597918 /nfs/dbraw/zinc/59/79/18/1234597918.db2.gz MZYRFCFZYULRLC-JTQLQIEISA-N 0 3 340.181 2.407 20 5 EEBDHN CC1(C(=O)N2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)CC1 ZINC001048831810 1238798285 /nfs/dbraw/zinc/79/82/85/1238798285.db2.gz GQFXPFAXSCTVJK-GASCZTMLSA-N 0 3 329.400 2.285 20 5 EEBDHN Cc1nnsc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001233813327 1304601387 /nfs/dbraw/zinc/60/13/87/1304601387.db2.gz XXTRSKRAYPAWTI-UHFFFAOYSA-N 0 3 349.416 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799195846 1305183165 /nfs/dbraw/zinc/18/31/65/1305183165.db2.gz LZMOHKOOVJAHMK-GDBMZVCRSA-N 0 3 343.383 2.219 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000839635744 1315224075 /nfs/dbraw/zinc/22/40/75/1315224075.db2.gz JSPQXIOIKUHHMX-RCCFBDPRSA-N 0 3 328.368 2.436 20 5 EEBDHN Cc1cc(N[C@H]2CN3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155667890 1317695729 /nfs/dbraw/zinc/69/57/29/1317695729.db2.gz PTVQNEIJKFPLGR-INIZCTEOSA-N 0 3 339.399 2.288 20 5 EEBDHN Nc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001161136525 1320398897 /nfs/dbraw/zinc/39/88/97/1320398897.db2.gz FVINXSQAUVLBCY-UHFFFAOYSA-N 0 3 343.387 2.354 20 5 EEBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001164451821 1321383056 /nfs/dbraw/zinc/38/30/56/1321383056.db2.gz GLWSDZCRVNJCAF-UHFFFAOYSA-N 0 3 349.416 2.069 20 5 EEBDHN O=C(NCC1CC1)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001307550517 1331539766 /nfs/dbraw/zinc/53/97/66/1331539766.db2.gz QJEFGPJJYWXOSW-INIZCTEOSA-N 0 3 347.415 2.057 20 5 EEBDHN C[N@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001609276021 1351918077 /nfs/dbraw/zinc/91/80/77/1351918077.db2.gz CCTYIIWROARNFE-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001609276021 1351918078 /nfs/dbraw/zinc/91/80/78/1351918078.db2.gz CCTYIIWROARNFE-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001609276021 1351918080 /nfs/dbraw/zinc/91/80/80/1351918080.db2.gz CCTYIIWROARNFE-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001609276021 1351918082 /nfs/dbraw/zinc/91/80/82/1351918082.db2.gz CCTYIIWROARNFE-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1cccnc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915749 1336447725 /nfs/dbraw/zinc/44/77/25/1336447725.db2.gz BBJABTHOERPGDA-ZFWWWQNUSA-N 0 3 331.372 2.389 20 5 EEBDHN CCS(=O)(=O)N(C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001336707181 1336583499 /nfs/dbraw/zinc/58/34/99/1336583499.db2.gz ITRGCYSAMUFOJG-UHFFFAOYSA-N 0 3 349.840 2.009 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887389 1336748701 /nfs/dbraw/zinc/74/87/01/1336748701.db2.gz FJSPOEZKEFSXLO-BZNIZROVSA-N 0 3 344.415 2.382 20 5 EEBDHN C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001579424684 1344380831 /nfs/dbraw/zinc/38/08/31/1344380831.db2.gz NKZSEWPPXNQABN-UHFFFAOYSA-N 0 3 345.407 2.418 20 5 EEBDHN C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001579424684 1344380836 /nfs/dbraw/zinc/38/08/36/1344380836.db2.gz NKZSEWPPXNQABN-UHFFFAOYSA-N 0 3 345.407 2.418 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818980789 785349802 /nfs/dbraw/zinc/34/98/02/785349802.db2.gz OAANTZOVDYUHDG-CQSZACIVSA-N 0 3 347.327 2.033 20 5 EEBDHN COc1cncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845877071 789972301 /nfs/dbraw/zinc/97/23/01/789972301.db2.gz DRPRZFOEERPOIB-LKFCYVNXSA-N 0 3 335.291 2.188 20 5 EEBDHN Cc1c(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845883289 789974333 /nfs/dbraw/zinc/97/43/33/789974333.db2.gz RLCZDISPYGHVAA-BDJLRTHQSA-N 0 3 335.335 2.360 20 5 EEBDHN Cc1cc(NC2(CNC(=O)CN(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001110159106 796341758 /nfs/dbraw/zinc/34/17/58/796341758.db2.gz ZIAIXDWHYLCEED-UHFFFAOYSA-N 0 3 334.420 2.304 20 5 EEBDHN CCNC(=O)CO[C@@H]1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235733 797312958 /nfs/dbraw/zinc/31/29/58/797312958.db2.gz YXEMZRXAWBQZQX-RHSMWYFYSA-N 0 3 349.431 2.143 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)on1 ZINC001086306943 802705585 /nfs/dbraw/zinc/70/55/85/802705585.db2.gz BZPGSGIOTVALFK-MQMHXKEQSA-N 0 3 344.371 2.189 20 5 EEBDHN COc1ccc(C[C@H](C)NCc2cn(CCF)cn2)c([N+](=O)[O-])c1 ZINC001170325921 809891628 /nfs/dbraw/zinc/89/16/28/809891628.db2.gz YFAFRRCWBUNHPN-LBPRGKRZSA-N 0 3 336.367 2.490 20 5 EEBDHN COC(=O)c1cnc(N2CCN(C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001515986931 1118992465 /nfs/dbraw/zinc/99/24/65/1118992465.db2.gz FFSRAIRCMXJGFB-GFCCVEGCSA-N 0 3 348.403 2.230 20 5 EEBDHN CC[C@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993042 1120253052 /nfs/dbraw/zinc/25/30/52/1120253052.db2.gz GGRFRIKOZLVQBC-KBPBESRZSA-N 0 3 338.456 2.192 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491829119 246170944 /nfs/dbraw/zinc/17/09/44/246170944.db2.gz XTOSREBWMRISNU-VMPITWQZSA-N 0 3 347.415 2.177 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094782 246298254 /nfs/dbraw/zinc/29/82/54/246298254.db2.gz KROYPRVTWHEKOV-WLMCBFPDSA-N 0 3 335.429 2.162 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000266010131 248026019 /nfs/dbraw/zinc/02/60/19/248026019.db2.gz PYBWCZPVELHDQJ-ZDUSSCGKSA-N 0 3 346.431 2.265 20 5 EEBDHN O=C1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181170 296343690 /nfs/dbraw/zinc/34/36/90/296343690.db2.gz WPQOUXLCEHVVFB-GDBMZVCRSA-N 0 3 329.400 2.269 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000267863922 256092702 /nfs/dbraw/zinc/09/27/02/256092702.db2.gz BCEPWZNEJVFYNZ-JSGCOSHPSA-N 0 3 332.404 2.062 20 5 EEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491568 256140433 /nfs/dbraw/zinc/14/04/33/256140433.db2.gz MIMYLOVIBUQDLJ-CSMYWGQOSA-N 0 3 345.399 2.471 20 5 EEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1Cc1ccccc1 ZINC000268137711 256117303 /nfs/dbraw/zinc/11/73/03/256117303.db2.gz JVGBSBLQESMCRK-YPMHNXCESA-N 0 3 328.376 2.042 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N(C)C ZINC000270736337 256166395 /nfs/dbraw/zinc/16/63/95/256166395.db2.gz KLAKHTMHMWFERE-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137638 256211658 /nfs/dbraw/zinc/21/16/58/256211658.db2.gz NPWMZRNVXUKWDU-UKRRQHHQSA-N 0 3 337.420 2.365 20 5 EEBDHN CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000273602542 256310891 /nfs/dbraw/zinc/31/08/91/256310891.db2.gz JTCHHUNLAWGWIQ-OAHLLOKOSA-N 0 3 327.388 2.486 20 5 EEBDHN Cc1cc(N2CCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000274095015 256353416 /nfs/dbraw/zinc/35/34/16/256353416.db2.gz UXFJQBAKHHDVER-CYBMUJFWSA-N 0 3 349.412 2.465 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000154469166 533226118 /nfs/dbraw/zinc/22/61/18/533226118.db2.gz AAAZCPJQTUMQJG-UHFFFAOYSA-N 0 3 346.387 2.472 20 5 EEBDHN CCN1CCC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000122649551 292274869 /nfs/dbraw/zinc/27/48/69/292274869.db2.gz GQHNMLNLUGGOAU-HNNXBMFYSA-N 0 3 332.404 2.147 20 5 EEBDHN CC[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248442717 160346113 /nfs/dbraw/zinc/34/61/13/160346113.db2.gz FGANQTISTCPMGQ-OLZOCXBDSA-N 0 3 326.418 2.162 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000341943924 161026207 /nfs/dbraw/zinc/02/62/07/161026207.db2.gz OMRSDAZXEZHKOY-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)C ZINC000344936138 161257392 /nfs/dbraw/zinc/25/73/92/161257392.db2.gz QKZFCVZHBUCBMW-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287209393 274944923 /nfs/dbraw/zinc/94/49/23/274944923.db2.gz NNHVEZXTPUGPGV-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272715067 269011708 /nfs/dbraw/zinc/01/17/08/269011708.db2.gz WDLBHHRUTFXGHL-ZACQAIPSSA-N 0 3 336.388 2.420 20 5 EEBDHN CCC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000285505625 274743401 /nfs/dbraw/zinc/74/34/01/274743401.db2.gz JLFYSQCIWXFOHK-INIZCTEOSA-N 0 3 337.376 2.091 20 5 EEBDHN O=C(CCN1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000289315364 275109108 /nfs/dbraw/zinc/10/91/08/275109108.db2.gz DDCDKPYJUYJWCE-PHIMTYICSA-N 0 3 335.335 2.258 20 5 EEBDHN C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CN1C1CC1 ZINC000290525954 275215248 /nfs/dbraw/zinc/21/52/48/275215248.db2.gz CVFKUGADKXLFLL-ZJUUUORDSA-N 0 3 329.360 2.281 20 5 EEBDHN CN1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344980746 277180446 /nfs/dbraw/zinc/18/04/46/277180446.db2.gz WLYGBNMQVPYTOJ-HUUCEWRRSA-N 0 3 325.796 2.153 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000423684142 278007650 /nfs/dbraw/zinc/00/76/50/278007650.db2.gz XGEQDLDBRZNKFR-HNNXBMFYSA-N 0 3 341.367 2.220 20 5 EEBDHN CC(C)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964528 280334704 /nfs/dbraw/zinc/33/47/04/280334704.db2.gz PNKJHDCIJNKAFM-CJNGLKHVSA-N 0 3 335.404 2.129 20 5 EEBDHN CN(C[C@H](O)Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234086 293158011 /nfs/dbraw/zinc/15/80/11/293158011.db2.gz HIRKKMSLKNNDDP-QZTJIDSGSA-N 0 3 330.384 2.164 20 5 EEBDHN C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570234 293241527 /nfs/dbraw/zinc/24/15/27/293241527.db2.gz DJVINWTZMAFMOE-GFCCVEGCSA-N 0 3 334.420 2.476 20 5 EEBDHN COc1c(C(=O)N2CCC[C@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000331523091 311865703 /nfs/dbraw/zinc/86/57/03/311865703.db2.gz ZJFIKBBGJNIDKV-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000421707204 314146573 /nfs/dbraw/zinc/14/65/73/314146573.db2.gz WWBDQVGNTJUPGC-HNNXBMFYSA-N 0 3 330.388 2.102 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012657 314320262 /nfs/dbraw/zinc/32/02/62/314320262.db2.gz PQLRNDBZSNUUMT-GOEBONIOSA-N 0 3 340.383 2.269 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012657 314320264 /nfs/dbraw/zinc/32/02/64/314320264.db2.gz PQLRNDBZSNUUMT-GOEBONIOSA-N 0 3 340.383 2.269 20 5 EEBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425012657 314320266 /nfs/dbraw/zinc/32/02/66/314320266.db2.gz PQLRNDBZSNUUMT-GOEBONIOSA-N 0 3 340.383 2.269 20 5 EEBDHN CC[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000439470145 315079792 /nfs/dbraw/zinc/07/97/92/315079792.db2.gz NHYNKHMOMMOFDA-CQSZACIVSA-N 0 3 349.387 2.394 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440072604 315110574 /nfs/dbraw/zinc/11/05/74/315110574.db2.gz CMXFMAKEJNNRRY-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1cc(NCCN2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543959345 318177695 /nfs/dbraw/zinc/17/76/95/318177695.db2.gz QNJMTEAGLNSTGA-CYBMUJFWSA-N 0 3 330.388 2.006 20 5 EEBDHN Cc1cc(C)c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000564861158 319119200 /nfs/dbraw/zinc/11/92/00/319119200.db2.gz YNMPZEOPRPHTQZ-OAHLLOKOSA-N 0 3 331.372 2.136 20 5 EEBDHN COc1ccc(CN2CCC(N3CCOC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000565172524 319156529 /nfs/dbraw/zinc/15/65/29/319156529.db2.gz OTTNEUBDGCKXAN-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000120574272 463013639 /nfs/dbraw/zinc/01/36/39/463013639.db2.gz QZYKWNFTUYJLRQ-KGLIPLIRSA-N 0 3 335.404 2.162 20 5 EEBDHN COC(=O)Cc1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000296504211 465216248 /nfs/dbraw/zinc/21/62/48/465216248.db2.gz LSNZUIJVJNZNEC-UHFFFAOYSA-N 0 3 333.388 2.349 20 5 EEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000496482537 468276495 /nfs/dbraw/zinc/27/64/95/468276495.db2.gz UXLPMKCZFSNRDZ-WOPDTQHZSA-N 0 3 332.397 2.380 20 5 EEBDHN CCOc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046878211 462713379 /nfs/dbraw/zinc/71/33/79/462713379.db2.gz XYBKAZWCIHKQDU-ZDUSSCGKSA-N 0 3 335.404 2.455 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000115807716 462729578 /nfs/dbraw/zinc/72/95/78/462729578.db2.gz ARKSKJXFUQZDSK-OAHLLOKOSA-N 0 3 334.420 2.121 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3ccccc3CC2)c1 ZINC000116302030 462751438 /nfs/dbraw/zinc/75/14/38/462751438.db2.gz ZRBGEJQOYSMOMF-GOSISDBHSA-N 0 3 342.395 2.435 20 5 EEBDHN O=C(C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000065532309 462791166 /nfs/dbraw/zinc/79/11/66/462791166.db2.gz KHKIAIALMSRRMF-UHFFFAOYSA-N 0 3 347.415 2.308 20 5 EEBDHN Cc1ccccc1CN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076836136 462915518 /nfs/dbraw/zinc/91/55/18/462915518.db2.gz FMZFXPGBUWUVJD-UHFFFAOYSA-N 0 3 342.403 2.352 20 5 EEBDHN CCCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051402395 463035306 /nfs/dbraw/zinc/03/53/06/463035306.db2.gz HMEMHSVTLRLYOO-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157089185 463097899 /nfs/dbraw/zinc/09/78/99/463097899.db2.gz VMKWKYVBTJSBQX-HUUCEWRRSA-N 0 3 347.415 2.306 20 5 EEBDHN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000068352342 463126226 /nfs/dbraw/zinc/12/62/26/463126226.db2.gz CXTXOJNLKXFTKK-ZJUUUORDSA-N 0 3 329.784 2.082 20 5 EEBDHN Cc1c(CN2CCC[C@@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803484 463328026 /nfs/dbraw/zinc/32/80/26/463328026.db2.gz GWWZQGKMNZJTBU-INIZCTEOSA-N 0 3 333.432 2.447 20 5 EEBDHN CC(C)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834013 463633481 /nfs/dbraw/zinc/63/34/81/463633481.db2.gz OSRWGRXPOUCADN-BBRMVZONSA-N 0 3 335.404 2.129 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@H](C)C1 ZINC000170774762 463704056 /nfs/dbraw/zinc/70/40/56/463704056.db2.gz WHDUKOQKRYRBBV-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000286869656 463729470 /nfs/dbraw/zinc/72/94/70/463729470.db2.gz CQVJNGFNRRKWMT-ZDUSSCGKSA-N 0 3 334.420 2.261 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185817887 463885707 /nfs/dbraw/zinc/88/57/07/463885707.db2.gz ZAKWKHASAVZQBZ-NSHDSACASA-N 0 3 340.811 2.389 20 5 EEBDHN CCNC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2OCC)CCC1 ZINC000277170781 463896979 /nfs/dbraw/zinc/89/69/79/463896979.db2.gz HTFNKPAUUFLLFQ-UHFFFAOYSA-N 0 3 335.404 2.390 20 5 EEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000178721881 463951943 /nfs/dbraw/zinc/95/19/43/463951943.db2.gz QGCHZJUJKUQEQQ-FQEVSTJZSA-N 0 3 337.423 2.430 20 5 EEBDHN Cn1ccnc1[C@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269725254 464071757 /nfs/dbraw/zinc/07/17/57/464071757.db2.gz VQSKIGSMSBJFHL-QGZVFWFLSA-N 0 3 344.415 2.316 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262605 464083151 /nfs/dbraw/zinc/08/31/51/464083151.db2.gz MKBMXIYQONJGBT-NUEKZKHPSA-N 0 3 345.399 2.131 20 5 EEBDHN CN(C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000591037887 468398143 /nfs/dbraw/zinc/39/81/43/468398143.db2.gz BYXCSTLTZBBIRX-JKSUJKDBSA-N 0 3 343.387 2.095 20 5 EEBDHN CN(C)CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000281037799 464308730 /nfs/dbraw/zinc/30/87/30/464308730.db2.gz IPPKSKCRAFXFGM-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000271667216 464357734 /nfs/dbraw/zinc/35/77/34/464357734.db2.gz FOZCHNPGBJYRME-ZFWWWQNUSA-N 0 3 326.418 2.083 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000271666533 464357855 /nfs/dbraw/zinc/35/78/55/464357855.db2.gz WFBZYABQVKLAJE-LSDHHAIUSA-N 0 3 325.434 2.223 20 5 EEBDHN CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N(C)C ZINC000271977577 464434903 /nfs/dbraw/zinc/43/49/03/464434903.db2.gz DFEMKTBCAWDMGD-JSGCOSHPSA-N 0 3 336.417 2.213 20 5 EEBDHN CN(C)C1(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000189523001 464525574 /nfs/dbraw/zinc/52/55/74/464525574.db2.gz JTQBTNNZYNYRRK-UHFFFAOYSA-N 0 3 331.376 2.027 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000272239966 464531614 /nfs/dbraw/zinc/53/16/14/464531614.db2.gz XIOPSUYTZGBAHG-CYBMUJFWSA-N 0 3 335.404 2.162 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000281674407 464542981 /nfs/dbraw/zinc/54/29/81/464542981.db2.gz UEOBEAWRZDURRS-ZFWWWQNUSA-N 0 3 347.415 2.271 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000294952347 464661147 /nfs/dbraw/zinc/66/11/47/464661147.db2.gz AWYCAKFIFBBWHU-KBPBESRZSA-N 0 3 346.431 2.338 20 5 EEBDHN COc1cc(C)c(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000176196636 464717642 /nfs/dbraw/zinc/71/76/42/464717642.db2.gz PYZQIWAEYPUSGC-UHFFFAOYSA-N 0 3 334.376 2.249 20 5 EEBDHN CCC(CC)(CCO)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000282433550 464817565 /nfs/dbraw/zinc/81/75/65/464817565.db2.gz KIYKOJIWZNPAKM-UHFFFAOYSA-N 0 3 339.392 2.073 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064576 464836218 /nfs/dbraw/zinc/83/62/18/464836218.db2.gz JYRRIQXKFIRPPJ-XJKSGUPXSA-N 0 3 336.388 2.495 20 5 EEBDHN C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000295446786 464838838 /nfs/dbraw/zinc/83/88/38/464838838.db2.gz GWILHALECPJQDH-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(C)CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000356878435 465594135 /nfs/dbraw/zinc/59/41/35/465594135.db2.gz GYPXTIXVJFBSOI-UHFFFAOYSA-N 0 3 346.431 2.361 20 5 EEBDHN CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000353078273 465620223 /nfs/dbraw/zinc/62/02/23/465620223.db2.gz PSKQMIUJBAHFEE-ZDUSSCGKSA-N 0 3 346.391 2.485 20 5 EEBDHN CCC[C@H]([NH2+]C(C)C)C(=O)Nc1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353078273 465620233 /nfs/dbraw/zinc/62/02/33/465620233.db2.gz PSKQMIUJBAHFEE-ZDUSSCGKSA-N 0 3 346.391 2.485 20 5 EEBDHN CNc1c(C(=O)NCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000361162168 465808005 /nfs/dbraw/zinc/80/80/05/465808005.db2.gz RQUHUKJCXZNXRT-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000367365885 466292727 /nfs/dbraw/zinc/29/27/27/466292727.db2.gz TUKWGMKJVLMGDW-UHFFFAOYSA-N 0 3 341.371 2.076 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000304538300 466303936 /nfs/dbraw/zinc/30/39/36/466303936.db2.gz PYNWOXZLFIWZMF-KRWDZBQOSA-N 0 3 348.378 2.376 20 5 EEBDHN C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000305759709 466452460 /nfs/dbraw/zinc/45/24/60/466452460.db2.gz IPWGEADHUAIMHS-SWLSCSKDSA-N 0 3 331.372 2.495 20 5 EEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362080236 466539145 /nfs/dbraw/zinc/53/91/45/466539145.db2.gz RJXKBXDMBGOKQG-YJBOKZPZSA-N 0 3 332.448 2.053 20 5 EEBDHN CCN(CC)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000315182083 466559390 /nfs/dbraw/zinc/55/93/90/466559390.db2.gz YFYSVBIYLXOYFH-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463881 466586578 /nfs/dbraw/zinc/58/65/78/466586578.db2.gz PYVQJQVFIBLTIA-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463881 466586581 /nfs/dbraw/zinc/58/65/81/466586581.db2.gz PYVQJQVFIBLTIA-SNVBAGLBSA-N 0 3 349.840 2.257 20 5 EEBDHN CCOc1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201276 466743409 /nfs/dbraw/zinc/74/34/09/466743409.db2.gz JNXYUIQZISHDNQ-NVXWUHKLSA-N 0 3 349.431 2.025 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000365249145 466757235 /nfs/dbraw/zinc/75/72/35/466757235.db2.gz PNIKUKPGODWIQQ-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCNc1cnccn1)CCCC2 ZINC000417316709 466832380 /nfs/dbraw/zinc/83/23/80/466832380.db2.gz UQUBKTATJXNZEC-INIZCTEOSA-N 0 3 327.388 2.854 20 5 EEBDHN N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424010570 466950284 /nfs/dbraw/zinc/95/02/84/466950284.db2.gz LMROUKMUKHOUOA-QWHCGFSZSA-N 0 3 335.360 2.362 20 5 EEBDHN CO[C@@](C)([C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972121 466952785 /nfs/dbraw/zinc/95/27/85/466952785.db2.gz PLFGNOCSNKKPHH-XIKOKIGWSA-N 0 3 347.415 2.277 20 5 EEBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCNCC1 ZINC000418092153 467042426 /nfs/dbraw/zinc/04/24/26/467042426.db2.gz QUYAHTREVSIFCI-UHFFFAOYSA-N 0 3 346.309 2.119 20 5 EEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000414123533 467380494 /nfs/dbraw/zinc/38/04/94/467380494.db2.gz BJTKKEVFDFMKFA-UGFHNGPFSA-N 0 3 326.418 2.393 20 5 EEBDHN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CN1C ZINC000450542498 467867064 /nfs/dbraw/zinc/86/70/64/467867064.db2.gz UMJXZZJAHJTTOA-RYUDHWBXSA-N 0 3 343.387 2.150 20 5 EEBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265643 468040753 /nfs/dbraw/zinc/04/07/53/468040753.db2.gz QSQYTHSKWQUKRD-YMTOWFKASA-N 0 3 327.768 2.344 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000517158049 468073134 /nfs/dbraw/zinc/07/31/34/468073134.db2.gz CQSOAMOXSQDMSG-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000517622838 468091054 /nfs/dbraw/zinc/09/10/54/468091054.db2.gz NCJRABLXIUOLPT-HZSPNIEDSA-N 0 3 335.404 2.351 20 5 EEBDHN COC(=O)CC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000533067927 468166095 /nfs/dbraw/zinc/16/60/95/468166095.db2.gz JKEOEWJEZJVTRP-UHFFFAOYSA-N 0 3 349.387 2.049 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549697139 468193558 /nfs/dbraw/zinc/19/35/58/468193558.db2.gz YHPVGCIXIAIDFU-OAHLLOKOSA-N 0 3 332.356 2.133 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195986 468508579 /nfs/dbraw/zinc/50/85/79/468508579.db2.gz JTRNOKDAVUBLOI-HUUCEWRRSA-N 0 3 343.387 2.218 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418817 468579661 /nfs/dbraw/zinc/57/96/61/468579661.db2.gz LVYALHIIRHEHER-NWDGAFQWSA-N 0 3 335.408 2.188 20 5 EEBDHN CO[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626256 468731233 /nfs/dbraw/zinc/73/12/33/468731233.db2.gz KGVJVZAPZFFDNY-AEFFLSMTSA-N 0 3 346.383 2.312 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598341898 468836777 /nfs/dbraw/zinc/83/67/77/468836777.db2.gz HWPMCEMSXQILGH-GFCCVEGCSA-N 0 3 325.796 2.391 20 5 EEBDHN Cc1cc(=O)[n-]c(C(C)(C)NCCOc2ccccc2[N+](=O)[O-])n1 ZINC000595516767 468884394 /nfs/dbraw/zinc/88/43/94/468884394.db2.gz AWWPCTNFPWMZCD-UHFFFAOYSA-N 0 3 332.360 2.303 20 5 EEBDHN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1 ZINC000595516767 468884398 /nfs/dbraw/zinc/88/43/98/468884398.db2.gz AWWPCTNFPWMZCD-UHFFFAOYSA-N 0 3 332.360 2.303 20 5 EEBDHN CS(=O)(=O)C1(CNCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602655189 468992458 /nfs/dbraw/zinc/99/24/58/468992458.db2.gz NCRMVFSJLVSKIT-UHFFFAOYSA-N 0 3 326.418 2.084 20 5 EEBDHN Cn1c2cc(NCCN3CCCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585703259 469017863 /nfs/dbraw/zinc/01/78/63/469017863.db2.gz ZGKBIXXJPHPOCD-UHFFFAOYSA-N 0 3 347.419 2.073 20 5 EEBDHN CS(=O)(=O)C1(CNCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000602711567 469027947 /nfs/dbraw/zinc/02/79/47/469027947.db2.gz QPKJCOPNVHSJQL-UHFFFAOYSA-N 0 3 340.445 2.474 20 5 EEBDHN CCOC(=O)CC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602798713 469084768 /nfs/dbraw/zinc/08/47/68/469084768.db2.gz GCTDAYJVBMJDAP-CQSZACIVSA-N 0 3 338.408 2.155 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@]2(O)CCCOC2)c1 ZINC000593691013 469096729 /nfs/dbraw/zinc/09/67/29/469096729.db2.gz IBLJJKBLTQDQKP-OAHLLOKOSA-N 0 3 346.330 2.217 20 5 EEBDHN CCN1CCN([C@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596078828 469144812 /nfs/dbraw/zinc/14/48/12/469144812.db2.gz UPDWAINPRMRKPQ-CQSZACIVSA-N 0 3 336.436 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611780461 469321948 /nfs/dbraw/zinc/32/19/48/469321948.db2.gz BYQGITFRBCIEJX-HOTGVXAUSA-N 0 3 339.823 2.279 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(CO)CCOCC1 ZINC000602583143 469372055 /nfs/dbraw/zinc/37/20/55/469372055.db2.gz QPNJCIJDGNTGQF-UHFFFAOYSA-N 0 3 348.321 2.492 20 5 EEBDHN CN(C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000604511340 469485133 /nfs/dbraw/zinc/48/51/33/469485133.db2.gz YJODIWCWLNWSCZ-UHFFFAOYSA-N 0 3 343.343 2.351 20 5 EEBDHN Cc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729529381 576663952 /nfs/dbraw/zinc/66/39/52/576663952.db2.gz VCJSMHZEDPELFK-UHFFFAOYSA-N 0 3 334.420 2.432 20 5 EEBDHN CCN(CC)CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000772231935 577258206 /nfs/dbraw/zinc/25/82/06/577258206.db2.gz QTULJVMZQPNNNM-UHFFFAOYSA-N 0 3 332.360 2.279 20 5 EEBDHN C[S@@](=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341981 577804783 /nfs/dbraw/zinc/80/47/83/577804783.db2.gz OSJNEWAQEGFJSM-WAIKUNEKSA-N 0 3 334.397 2.155 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247624 578190562 /nfs/dbraw/zinc/19/05/62/578190562.db2.gz GCSRLBLWIFVOSE-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247624 578190563 /nfs/dbraw/zinc/19/05/63/578190563.db2.gz GCSRLBLWIFVOSE-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247624 578190564 /nfs/dbraw/zinc/19/05/64/578190564.db2.gz GCSRLBLWIFVOSE-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247624 578190565 /nfs/dbraw/zinc/19/05/65/578190565.db2.gz GCSRLBLWIFVOSE-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823635253 607479610 /nfs/dbraw/zinc/47/96/10/607479610.db2.gz UKYZPEGYZFFNLG-UHFFFAOYSA-N 0 3 342.334 2.246 20 5 EEBDHN CN(C)C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000120081930 674586635 /nfs/dbraw/zinc/58/66/35/674586635.db2.gz SWIJBGUJVIMFER-UHFFFAOYSA-N 0 3 347.415 2.449 20 5 EEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Br)c1OC ZINC000813114562 675792297 /nfs/dbraw/zinc/79/22/97/675792297.db2.gz SSEAQRHHGIJZQB-ZETCQYMHSA-N 0 3 348.149 2.288 20 5 EEBDHN C[C@]1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN2CCC1CC2 ZINC000892784599 683050194 /nfs/dbraw/zinc/05/01/94/683050194.db2.gz JHTRVZBGFQHJPD-SFHVURJKSA-N 0 3 342.399 2.150 20 5 EEBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000813101566 1201097579 /nfs/dbraw/zinc/09/75/79/1201097579.db2.gz DKLFPVONDAKAGR-ZETCQYMHSA-N 0 3 334.250 2.486 20 5 EEBDHN CC(COC(=O)c1nc(NCc2ccco2)ncc1Cl)[N+](=O)[O-] ZINC000813107475 1201119078 /nfs/dbraw/zinc/11/90/78/1201119078.db2.gz OHUDMRQRCHGRNY-QMMMGPOBSA-N 0 3 340.723 2.157 20 5 EEBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000813109903 1201121625 /nfs/dbraw/zinc/12/16/25/1201121625.db2.gz QFJOUWNUBZKVPC-RNCFNFMXSA-N 0 3 328.752 2.116 20 5 EEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)CC1CC1 ZINC000866305926 1201488984 /nfs/dbraw/zinc/48/89/84/1201488984.db2.gz NTMBPJHLFCDHFD-NSHDSACASA-N 0 3 344.408 2.079 20 5 EEBDHN CCOc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081945 1204780554 /nfs/dbraw/zinc/78/05/54/1204780554.db2.gz NPCRNYJAKHFNSG-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095567024 1205876965 /nfs/dbraw/zinc/87/69/65/1205876965.db2.gz MYNBMIICRGJTLA-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN O=C(N1CCOCC1)C1(NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000934060062 1207893139 /nfs/dbraw/zinc/89/31/39/1207893139.db2.gz IVMSTPAATLMMKE-UHFFFAOYSA-N 0 3 347.415 2.246 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000856073623 1293399090 /nfs/dbraw/zinc/39/90/90/1293399090.db2.gz UJNHQZKTZQWZPO-NSHDSACASA-N 0 3 338.383 2.014 20 5 EEBDHN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000857636736 1293875175 /nfs/dbraw/zinc/87/51/75/1293875175.db2.gz PDKBCHKPOXQZQT-UHFFFAOYSA-N 0 3 335.316 2.283 20 5 EEBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1)[N+](=O)[O-] ZINC000860777158 1295105959 /nfs/dbraw/zinc/10/59/59/1295105959.db2.gz LJUCEIJVQUKODD-JTQLQIEISA-N 0 3 333.406 2.050 20 5 EEBDHN COCCN1CCC(Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])CC1 ZINC001225601591 1301085369 /nfs/dbraw/zinc/08/53/69/1301085369.db2.gz QSTFMTDCFQLZOP-UHFFFAOYSA-N 0 3 339.348 2.301 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC(N4CCCC4)C3)CC2)cc1 ZINC001254478967 1318085156 /nfs/dbraw/zinc/08/51/56/1318085156.db2.gz MQHXBDJFJYGPDK-UHFFFAOYSA-N 0 3 330.432 2.344 20 5 EEBDHN Cc1cc(CN)nn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001163985462 1321262781 /nfs/dbraw/zinc/26/27/81/1321262781.db2.gz RXKCQIWCTZEATD-UHFFFAOYSA-N 0 3 326.316 2.130 20 5 EEBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001165090003 1321452533 /nfs/dbraw/zinc/45/25/33/1321452533.db2.gz WXRXRSULMGBFHT-WBVHZDCISA-N 0 3 339.399 2.404 20 5 EEBDHN COc1c(O)ccc(CN[C@H](CO)CCc2ccccc2)c1[N+](=O)[O-] ZINC001308941933 1331609224 /nfs/dbraw/zinc/60/92/24/1331609224.db2.gz CEUVBESALKVEEB-HNNXBMFYSA-N 0 3 346.383 2.392 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC001329593797 1334680905 /nfs/dbraw/zinc/68/09/05/1334680905.db2.gz CXAPDVGPGJTXOV-GFCCVEGCSA-N 0 3 336.348 2.026 20 5 EEBDHN CCC(C)(C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001338210637 1336817229 /nfs/dbraw/zinc/81/72/29/1336817229.db2.gz USOPSGKTKOOFMO-UHFFFAOYSA-N 0 3 348.407 2.294 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCN(CC(C)C)CC1 ZINC001342657618 1337319183 /nfs/dbraw/zinc/31/91/83/1337319183.db2.gz DNMZUOXDBLIZFX-UHFFFAOYSA-N 0 3 348.407 2.244 20 5 EEBDHN CC1(C)C[C@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083912 1349145521 /nfs/dbraw/zinc/14/55/21/1349145521.db2.gz OCRRHEBKAQXIJS-ZDUSSCGKSA-N 0 3 346.391 2.211 20 5 EEBDHN CC1(C)C[C@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083912 1349145527 /nfs/dbraw/zinc/14/55/27/1349145527.db2.gz OCRRHEBKAQXIJS-ZDUSSCGKSA-N 0 3 346.391 2.211 20 5 EEBDHN C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604679872 1350983888 /nfs/dbraw/zinc/98/38/88/1350983888.db2.gz OGOGRTPLJDVPFJ-KGLIPLIRSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604679872 1350983889 /nfs/dbraw/zinc/98/38/89/1350983889.db2.gz OGOGRTPLJDVPFJ-KGLIPLIRSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881374 1403615320 /nfs/dbraw/zinc/61/53/20/1403615320.db2.gz UDSPJIYNQLPVEO-GARJFASQSA-N 0 3 327.331 2.284 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091359470 790433080 /nfs/dbraw/zinc/43/30/80/790433080.db2.gz AHLUQDVMSIFJNF-XBXGTLAGSA-N 0 3 343.387 2.176 20 5 EEBDHN O=C1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173265 785447353 /nfs/dbraw/zinc/44/73/53/785447353.db2.gz LMWCUQAGIKIKHD-RHSMWYFYSA-N 0 3 347.415 2.151 20 5 EEBDHN COC(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819372910 785537582 /nfs/dbraw/zinc/53/75/82/785537582.db2.gz HFPURVDPUCAKLS-ZDUSSCGKSA-N 0 3 336.369 2.266 20 5 EEBDHN CCCc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001171072094 788355911 /nfs/dbraw/zinc/35/59/11/788355911.db2.gz PWJGUIPLBHDGCP-UHFFFAOYSA-N 0 3 346.387 2.445 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000843849729 788688956 /nfs/dbraw/zinc/68/89/56/788688956.db2.gz AYZCQRXSIAOKIE-NSHDSACASA-N 0 3 348.359 2.192 20 5 EEBDHN CCCc1nc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001147939994 792044756 /nfs/dbraw/zinc/04/47/56/792044756.db2.gz OFWKHKBFUHHDQB-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001110158562 796321969 /nfs/dbraw/zinc/32/19/69/796321969.db2.gz LDDJJSZXWJWZGN-UHFFFAOYSA-N 0 3 334.420 2.304 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CN1CCCC1 ZINC001106776896 796509094 /nfs/dbraw/zinc/50/90/94/796509094.db2.gz FXHMMFMTLZCXTK-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CC[C@@H](C2)N3C)c1F ZINC001173198345 797284585 /nfs/dbraw/zinc/28/45/85/797284585.db2.gz YVWUBYGIBLWNGT-RWMBFGLXSA-N 0 3 337.395 2.452 20 5 EEBDHN CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)C1(N(C)C)CCC1 ZINC001106873938 797633131 /nfs/dbraw/zinc/63/31/31/797633131.db2.gz LGAQNWSFJRVFJO-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCc1noc(C)c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175897395 798266798 /nfs/dbraw/zinc/26/67/98/798266798.db2.gz GFPBORKVIWDXME-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN CC[C@@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000922591359 801437625 /nfs/dbraw/zinc/43/76/25/801437625.db2.gz DQBKKYZOSVABRM-ZDUSSCGKSA-N 0 3 327.812 2.449 20 5 EEBDHN CC(C)(C)OC(=O)N[C@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037533 803581377 /nfs/dbraw/zinc/58/13/77/803581377.db2.gz SBUBPQQEXPUUDO-DGAVXFQQSA-N 0 3 345.415 2.369 20 5 EEBDHN CCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001169488850 803812184 /nfs/dbraw/zinc/81/21/84/803812184.db2.gz GFALIDSJIFTBMZ-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN COc1ccc(C[C@H](C)N[C@@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312179 809885795 /nfs/dbraw/zinc/88/57/95/809885795.db2.gz DLCNROAUKDIFFJ-LRDDRELGSA-N 0 3 331.372 2.253 20 5 EEBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000183755030 529394594 /nfs/dbraw/zinc/39/45/94/529394594.db2.gz SXWNDTLLFAVWKR-QGZVFWFLSA-N 0 3 343.431 2.388 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174698394 231282529 /nfs/dbraw/zinc/28/25/29/231282529.db2.gz QXRIONQMVFUSDC-QGZVFWFLSA-N 0 3 346.362 2.081 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000181581054 234240806 /nfs/dbraw/zinc/24/08/06/234240806.db2.gz VSAWBSMZHIMXBR-ZDUSSCGKSA-N 0 3 327.768 2.201 20 5 EEBDHN COc1ccc(OCCN[C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183343139 235019392 /nfs/dbraw/zinc/01/93/92/235019392.db2.gz YTKQVBXEFZOXCY-NSHDSACASA-N 0 3 334.376 2.375 20 5 EEBDHN NC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422863832 240263839 /nfs/dbraw/zinc/26/38/39/240263839.db2.gz SJODKOIAKXJNME-OAHLLOKOSA-N 0 3 339.370 2.288 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@H]1C1CC1 ZINC000451645458 243188609 /nfs/dbraw/zinc/18/86/09/243188609.db2.gz AVJLLODIVUVSFD-ZFWWWQNUSA-N 0 3 338.429 2.162 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264358924 246398039 /nfs/dbraw/zinc/39/80/39/246398039.db2.gz DKUDAPPAUIECDD-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CO)CCOCC3)o2)cc1 ZINC000265199174 247291587 /nfs/dbraw/zinc/29/15/87/247291587.db2.gz AFKWPEKHDXTGMD-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179736931 285189995 /nfs/dbraw/zinc/18/99/95/285189995.db2.gz INUHWMPXBLLVHV-QGZVFWFLSA-N 0 3 344.371 2.303 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C)C1 ZINC000171694209 533138611 /nfs/dbraw/zinc/13/86/11/533138611.db2.gz STHFMGRGDXXZDW-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491572 256140387 /nfs/dbraw/zinc/14/03/87/256140387.db2.gz MIMYLOVIBUQDLJ-JLZZUVOBSA-N 0 3 345.399 2.471 20 5 EEBDHN CN(C(=O)CN[C@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058120 256261034 /nfs/dbraw/zinc/26/10/34/256261034.db2.gz LWUKXFBZMCYNIA-IAGOWNOFSA-N 0 3 333.388 2.105 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2Cc3ccccc3C2)cc1 ZINC000273412504 256294655 /nfs/dbraw/zinc/29/46/55/256294655.db2.gz IBPAVEZOJXPHEB-UHFFFAOYSA-N 0 3 346.408 2.126 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000190324112 160157911 /nfs/dbraw/zinc/15/79/11/160157911.db2.gz HSNRFJAVXQKEOP-TXEJJXNPSA-N 0 3 340.449 2.377 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(C2CC2)C1 ZINC000342649505 161080563 /nfs/dbraw/zinc/08/05/63/161080563.db2.gz GIVIJNPCKIZSNS-LLVKDONJSA-N 0 3 338.795 2.284 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000343759500 161165741 /nfs/dbraw/zinc/16/57/41/161165741.db2.gz CNNBKHQXXPEBLJ-RYUDHWBXSA-N 0 3 333.388 2.349 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCCN(C)C)c2)c1 ZINC000345313044 161291096 /nfs/dbraw/zinc/29/10/96/161291096.db2.gz MOQLXEQDCQFSQZ-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN Cn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000345409827 161299858 /nfs/dbraw/zinc/29/98/58/161299858.db2.gz SMKHIFHLKVGPAV-UHFFFAOYSA-N 0 3 342.399 2.328 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCOCC(F)(F)F)C2)nc1 ZINC000345672123 161321450 /nfs/dbraw/zinc/32/14/50/161321450.db2.gz ZEYYGSHZDFOMNR-NSHDSACASA-N 0 3 348.325 2.445 20 5 EEBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345673831 161321563 /nfs/dbraw/zinc/32/15/63/161321563.db2.gz SOFMYVGLKMUDBU-LBPRGKRZSA-N 0 3 329.784 2.183 20 5 EEBDHN CC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CC)CC ZINC000345945339 161344348 /nfs/dbraw/zinc/34/43/48/161344348.db2.gz BCZGWAFSTPPOCL-HNNXBMFYSA-N 0 3 348.447 2.364 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000274513491 269037252 /nfs/dbraw/zinc/03/72/52/269037252.db2.gz LPXGNUNFRRZQGA-UHFFFAOYSA-N 0 3 340.811 2.484 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000279673202 269299391 /nfs/dbraw/zinc/29/93/91/269299391.db2.gz NQJVPJSOSCQNNG-GFCCVEGCSA-N 0 3 326.418 2.083 20 5 EEBDHN CN(C)CC1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000281124512 269405979 /nfs/dbraw/zinc/40/59/79/269405979.db2.gz SQKRHBPDGQWQKX-UHFFFAOYSA-N 0 3 330.388 2.219 20 5 EEBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555389 274371990 /nfs/dbraw/zinc/37/19/90/274371990.db2.gz BXGXVPZFMVXZMJ-PXAZEXFGSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343421555 274762918 /nfs/dbraw/zinc/76/29/18/274762918.db2.gz CVWRWHXPCDYPBN-JKSUJKDBSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000291395663 275301320 /nfs/dbraw/zinc/30/13/20/275301320.db2.gz BMXFNNGHIWOTQT-OAHLLOKOSA-N 0 3 343.387 2.375 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000492311167 278148099 /nfs/dbraw/zinc/14/80/99/278148099.db2.gz HHEUAVJOCOHVOO-FHFZEBMASA-N 0 3 335.429 2.112 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570432 293242062 /nfs/dbraw/zinc/24/20/62/293242062.db2.gz DMMPVEHQGAVVLU-SMDDNHRTSA-N 0 3 349.362 2.407 20 5 EEBDHN CCS[C@@H]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859459 311347346 /nfs/dbraw/zinc/34/73/46/311347346.db2.gz KQOBHLSHKUVHIY-GXTWGEPZSA-N 0 3 325.434 2.363 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342304036 312263946 /nfs/dbraw/zinc/26/39/46/312263946.db2.gz DIDDDTZGESUTFI-QWHCGFSZSA-N 0 3 337.445 2.486 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411242418 312517694 /nfs/dbraw/zinc/51/76/94/312517694.db2.gz RKADNRMVFRAHPV-DLBZAZTESA-N 0 3 329.400 2.441 20 5 EEBDHN CC[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414519912 313035849 /nfs/dbraw/zinc/03/58/49/313035849.db2.gz CRLDIXJFNYKYJJ-WBMJQRKESA-N 0 3 326.393 2.497 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415768420 313181994 /nfs/dbraw/zinc/18/19/94/313181994.db2.gz VMGYSHIAEAEGRQ-QMTHXVAHSA-N 0 3 336.392 2.392 20 5 EEBDHN Cc1cc(OCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431561326 314642367 /nfs/dbraw/zinc/64/23/67/314642367.db2.gz PULPYJCDKHCQLE-UHFFFAOYSA-N 0 3 335.404 2.274 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(CC)C(C)C ZINC000444165035 315278263 /nfs/dbraw/zinc/27/82/63/315278263.db2.gz FLRPUNAZGDRZSA-UHFFFAOYSA-N 0 3 343.449 2.166 20 5 EEBDHN O=[N+]([O-])c1cnn(CCNCc2cc(F)cc(Br)c2)c1 ZINC000449193365 315429608 /nfs/dbraw/zinc/42/96/08/315429608.db2.gz NHJXBEBQTZUVBN-UHFFFAOYSA-N 0 3 343.156 2.483 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)S(C)(=O)=O ZINC000539041415 318050745 /nfs/dbraw/zinc/05/07/45/318050745.db2.gz NCUWAJMYTDRWHG-NEPJUHHUSA-N 0 3 346.474 2.488 20 5 EEBDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225702 318053249 /nfs/dbraw/zinc/05/32/49/318053249.db2.gz JHKFQAKGBHGGII-HIFRSBDPSA-N 0 3 348.403 2.290 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548394547 318385027 /nfs/dbraw/zinc/38/50/27/318385027.db2.gz QVIMLVVNCVPEOW-HNNXBMFYSA-N 0 3 349.387 2.174 20 5 EEBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000564077128 319065413 /nfs/dbraw/zinc/06/54/13/319065413.db2.gz INJQUSFRFVMDOV-CQSZACIVSA-N 0 3 344.458 2.244 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CC(F)(F)C2)cc1 ZINC000567494643 319385052 /nfs/dbraw/zinc/38/50/52/319385052.db2.gz VHLLUIHYCJJJOD-UHFFFAOYSA-N 0 3 334.344 2.003 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C3CCC3)cc2)c1 ZINC000571671434 319777436 /nfs/dbraw/zinc/77/74/36/319777436.db2.gz HRVPHIFWOUZJLR-QGZVFWFLSA-N 0 3 330.388 2.210 20 5 EEBDHN CN(CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000574308707 320014623 /nfs/dbraw/zinc/01/46/23/320014623.db2.gz ORIDDTLNVAEAPD-QGZVFWFLSA-N 0 3 345.399 2.061 20 5 EEBDHN C[C@H]1CN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843292 449874506 /nfs/dbraw/zinc/87/45/06/449874506.db2.gz ZDGVFVKEAUQHOE-ZDUSSCGKSA-N 0 3 345.403 2.451 20 5 EEBDHN CN(C)CCN(CCCc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000354571024 465031769 /nfs/dbraw/zinc/03/17/69/465031769.db2.gz DNUPSVBSMSBBPO-UHFFFAOYSA-N 0 3 329.404 2.386 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000347592412 465110419 /nfs/dbraw/zinc/11/04/19/465110419.db2.gz NGHSATNLIJAFFT-HZPDHXFCSA-N 0 3 343.431 2.386 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285799 465142468 /nfs/dbraw/zinc/14/24/68/465142468.db2.gz ZECZOMGRUAWERA-IUIKQTSFSA-N 0 3 335.404 2.207 20 5 EEBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517620 465198277 /nfs/dbraw/zinc/19/82/77/465198277.db2.gz OLLLAFJJGMHRCF-ZIAGYGMSSA-N 0 3 331.376 2.468 20 5 EEBDHN COC[C@](C)(CCO)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085902972 462563550 /nfs/dbraw/zinc/56/35/50/462563550.db2.gz ZTFCDXZNNVKKBA-KRWDZBQOSA-N 0 3 349.387 2.169 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000153472626 462654486 /nfs/dbraw/zinc/65/44/86/462654486.db2.gz UVZRFLXXJRVQPT-LBPRGKRZSA-N 0 3 328.372 2.215 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000089644902 462702558 /nfs/dbraw/zinc/70/25/58/462702558.db2.gz FBHKGVVKJBOIKA-CVEARBPZSA-N 0 3 328.372 2.037 20 5 EEBDHN Cc1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090182827 462784763 /nfs/dbraw/zinc/78/47/63/462784763.db2.gz MUIVEZFTJGHZOY-GFCCVEGCSA-N 0 3 326.418 2.379 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000065674620 462817652 /nfs/dbraw/zinc/81/76/52/462817652.db2.gz IREDOTNTEBHKCG-ZIAGYGMSSA-N 0 3 335.404 2.210 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000155937136 462962020 /nfs/dbraw/zinc/96/20/20/462962020.db2.gz LQNWXUYMZUHCPC-KRWDZBQOSA-N 0 3 330.388 2.064 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969246 462980893 /nfs/dbraw/zinc/98/08/93/462980893.db2.gz CPKYRGGZLBRKJC-UHFFFAOYSA-N 0 3 334.420 2.115 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000017794026 463001379 /nfs/dbraw/zinc/00/13/79/463001379.db2.gz XAXSUQAPOSLOFZ-KRWDZBQOSA-N 0 3 327.384 2.498 20 5 EEBDHN O=C(NCC1CC1)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051909109 463054010 /nfs/dbraw/zinc/05/40/10/463054010.db2.gz DIQVCXSEHHZUNJ-HNNXBMFYSA-N 0 3 347.415 2.212 20 5 EEBDHN COC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000123122600 463318785 /nfs/dbraw/zinc/31/87/85/463318785.db2.gz SWMFEFKZUOAPCU-UHFFFAOYSA-N 0 3 346.330 2.481 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000071886452 463456334 /nfs/dbraw/zinc/45/63/34/463456334.db2.gz RBMXKDQODQZMIW-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000152237338 463664848 /nfs/dbraw/zinc/66/48/48/463664848.db2.gz IWNUVFFVISTSAB-UHFFFAOYSA-N 0 3 328.372 2.357 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000276915583 463805670 /nfs/dbraw/zinc/80/56/70/463805670.db2.gz PVTVWKVJXQVPMD-IINYFYTJSA-N 0 3 333.388 2.124 20 5 EEBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269313910 463949598 /nfs/dbraw/zinc/94/95/98/463949598.db2.gz GREYSOQFDIBXBC-JTQLQIEISA-N 0 3 335.364 2.067 20 5 EEBDHN COC[C@H](C)OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278809265 463989868 /nfs/dbraw/zinc/98/98/68/463989868.db2.gz ZNXOSXLSKHPERC-WMLDXEAASA-N 0 3 340.420 2.218 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000292842005 464361275 /nfs/dbraw/zinc/36/12/75/464361275.db2.gz UVPNCGXIACNMPN-MRXNPFEDSA-N 0 3 330.388 2.285 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264586829 464384037 /nfs/dbraw/zinc/38/40/37/464384037.db2.gz KWQWVLBMHDJMNX-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN CS(=O)(=O)C1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000281277713 464397351 /nfs/dbraw/zinc/39/73/51/464397351.db2.gz XIWGZZQNEWGULY-CQSZACIVSA-N 0 3 338.429 2.083 20 5 EEBDHN C[C@H]1CSCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029684 464417651 /nfs/dbraw/zinc/41/76/51/464417651.db2.gz ZGCAOZFZNZXYOC-JTQLQIEISA-N 0 3 327.381 2.500 20 5 EEBDHN CCN1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000281582518 464511536 /nfs/dbraw/zinc/51/15/36/464511536.db2.gz NABPPLJUPCVCSU-UHFFFAOYSA-N 0 3 335.404 2.226 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272223011 464524528 /nfs/dbraw/zinc/52/45/28/464524528.db2.gz AHEWJEBPOWKBAL-LLVKDONJSA-N 0 3 349.387 2.126 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281716875 464558537 /nfs/dbraw/zinc/55/85/37/464558537.db2.gz QKTPGGGUCJPJBD-ZFWWWQNUSA-N 0 3 335.404 2.081 20 5 EEBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294836818 464620863 /nfs/dbraw/zinc/62/08/63/464620863.db2.gz FLFFDHBELSIXCO-UHFFFAOYSA-N 0 3 343.811 2.255 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000285634562 464636645 /nfs/dbraw/zinc/63/66/45/464636645.db2.gz AJZKBIIIBYSKFO-ZDUSSCGKSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCCN(CCCO)C1 ZINC000295029987 464683556 /nfs/dbraw/zinc/68/35/56/464683556.db2.gz VNMFHEDWXUDYTH-AWEZNQCLSA-N 0 3 330.388 2.402 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192122121 464868878 /nfs/dbraw/zinc/86/88/78/464868878.db2.gz SSZMASQWTHZVLE-DZGCQCFKSA-N 0 3 338.314 2.189 20 5 EEBDHN C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189254 464882405 /nfs/dbraw/zinc/88/24/05/464882405.db2.gz NVDXUBGYUSHVEV-STQMWFEESA-N 0 3 326.418 2.162 20 5 EEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000286364750 464892210 /nfs/dbraw/zinc/89/22/10/464892210.db2.gz LOYXPKACNPUKTI-HOTGVXAUSA-N 0 3 347.415 2.229 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000267182319 464920762 /nfs/dbraw/zinc/92/07/62/464920762.db2.gz FRWXZNZULRCOBS-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559359 464960309 /nfs/dbraw/zinc/96/03/09/464960309.db2.gz TUGZQNNHUDZCAX-ZBFHGGJFSA-N 0 3 335.404 2.009 20 5 EEBDHN Cc1c(NC(=O)NCCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282858321 464976494 /nfs/dbraw/zinc/97/64/94/464976494.db2.gz XJFIMSMCXPKPOJ-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN Cc1cc(NC[C@H](C)c2nncn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000342961567 465417082 /nfs/dbraw/zinc/41/70/82/465417082.db2.gz QVZCJDOFCPFVHR-JTQLQIEISA-N 0 3 326.360 2.217 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)SCCN(C)C)c([N+](=O)[O-])c1 ZINC000339742811 465481324 /nfs/dbraw/zinc/48/13/24/465481324.db2.gz NMSSZRHLLOLVDG-JTQLQIEISA-N 0 3 327.406 2.225 20 5 EEBDHN CC1CCN(C[C@@H](O)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352360968 465518742 /nfs/dbraw/zinc/51/87/42/465518742.db2.gz PHMUZUYWLMZYJH-HNNXBMFYSA-N 0 3 344.415 2.648 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824294 465534727 /nfs/dbraw/zinc/53/47/27/465534727.db2.gz FKNUUSQBHZYHBW-WBVHZDCISA-N 0 3 338.404 2.081 20 5 EEBDHN COc1cc2nccc(NCCn3cc([N+](=O)[O-])cn3)c2cc1OC ZINC000299009084 465562516 /nfs/dbraw/zinc/56/25/16/465562516.db2.gz SGKGCRKWADPJPE-UHFFFAOYSA-N 0 3 343.343 2.469 20 5 EEBDHN Cc1cc(NCCN2CCOCC2(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000360924328 465634505 /nfs/dbraw/zinc/63/45/05/465634505.db2.gz ITUUMRWVTKGFOC-UHFFFAOYSA-N 0 3 344.415 2.396 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000356973129 465670233 /nfs/dbraw/zinc/67/02/33/465670233.db2.gz IGCUHCDYTVYRGP-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330560103 465706678 /nfs/dbraw/zinc/70/66/78/465706678.db2.gz IOUCMZWVPSJDFA-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN(C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000301534500 465979340 /nfs/dbraw/zinc/97/93/40/465979340.db2.gz IOEIHUYWHPOEKN-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN Cc1nnc(CCN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000353577485 465988858 /nfs/dbraw/zinc/98/88/58/465988858.db2.gz BZYRMDQFMMTKJF-SNVBAGLBSA-N 0 3 349.416 2.304 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543610 466117669 /nfs/dbraw/zinc/11/76/69/466117669.db2.gz HQGAKQIUJJKQQQ-PWSUYJOCSA-N 0 3 347.375 2.223 20 5 EEBDHN CC1(C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCO ZINC000302555571 466153283 /nfs/dbraw/zinc/15/32/83/466153283.db2.gz RRWGWZRYXIWKQG-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000569334261 468475492 /nfs/dbraw/zinc/47/54/92/468475492.db2.gz WGLXZCSYNXFAIZ-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c1[N+](=O)[O-] ZINC000349810250 466251371 /nfs/dbraw/zinc/25/13/71/466251371.db2.gz LYJPOMMAPSAINQ-ZDUSSCGKSA-N 0 3 343.449 2.219 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](CO)C3)o2)c1 ZINC000304662681 466309742 /nfs/dbraw/zinc/30/97/42/466309742.db2.gz ANUVLZPHSXCCRL-CYBMUJFWSA-N 0 3 331.372 2.497 20 5 EEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000354079258 466336915 /nfs/dbraw/zinc/33/69/15/466336915.db2.gz DZHROYPCLYARAJ-UHFFFAOYSA-N 0 3 330.388 2.647 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000358036200 466403577 /nfs/dbraw/zinc/40/35/77/466403577.db2.gz KOGSMNUTWDHLFH-GXTWGEPZSA-N 0 3 326.418 2.083 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000341002643 466504666 /nfs/dbraw/zinc/50/46/66/466504666.db2.gz ODBBZSUEZQWXBU-CQSZACIVSA-N 0 3 332.404 2.140 20 5 EEBDHN CC(C)(NC(=O)[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000591675141 468500869 /nfs/dbraw/zinc/50/08/69/468500869.db2.gz VTSKUSIGZUXFJP-LBPRGKRZSA-N 0 3 327.331 2.191 20 5 EEBDHN COc1cc(CN[C@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000418137491 467055744 /nfs/dbraw/zinc/05/57/44/467055744.db2.gz RRMXVEAQLAHRMV-NSHDSACASA-N 0 3 345.346 2.041 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1CC(C)(C)O ZINC000413248557 467196843 /nfs/dbraw/zinc/19/68/43/467196843.db2.gz OFFMZTCLQSHVOW-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431997450 467207696 /nfs/dbraw/zinc/20/76/96/467207696.db2.gz HIYSMYLXFNCHJY-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN(C2CC2)C1 ZINC000451097033 467247856 /nfs/dbraw/zinc/24/78/56/467247856.db2.gz YNAZRINMZISVHL-GFCCVEGCSA-N 0 3 329.404 2.387 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000452118674 467329742 /nfs/dbraw/zinc/32/97/42/467329742.db2.gz PDGJZDHUGWIWTI-AWEZNQCLSA-N 0 3 334.420 2.256 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)cc1C ZINC000420441426 467409499 /nfs/dbraw/zinc/40/94/99/467409499.db2.gz IMRRQLVXMCIHBN-CYBMUJFWSA-N 0 3 341.433 2.022 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C2CC2)n1 ZINC000449405359 467639939 /nfs/dbraw/zinc/63/99/39/467639939.db2.gz KCSYJLDFGYYLDE-JTQLQIEISA-N 0 3 344.375 2.097 20 5 EEBDHN CC[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(CC)CC ZINC000487118967 468023654 /nfs/dbraw/zinc/02/36/54/468023654.db2.gz REVYUPVXMIUSCT-CQSZACIVSA-N 0 3 337.424 2.075 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](C)C1 ZINC000516394203 468025816 /nfs/dbraw/zinc/02/58/16/468025816.db2.gz VRQGLZLSYBLZMV-RYUDHWBXSA-N 0 3 349.387 2.174 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000532953783 468156041 /nfs/dbraw/zinc/15/60/41/468156041.db2.gz GYPSKMQCDQMVJO-CQSZACIVSA-N 0 3 332.404 2.012 20 5 EEBDHN CCC(CC)Nc1ccncc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000582693469 468578769 /nfs/dbraw/zinc/57/87/69/468578769.db2.gz GFAVUNLDTJYZIC-UHFFFAOYSA-N 0 3 346.391 2.306 20 5 EEBDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000582693469 468578775 /nfs/dbraw/zinc/57/87/75/468578775.db2.gz GFAVUNLDTJYZIC-UHFFFAOYSA-N 0 3 346.391 2.306 20 5 EEBDHN CC(C)Oc1nc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000594543677 468617826 /nfs/dbraw/zinc/61/78/26/468617826.db2.gz DEJVADRKLPFSCJ-UHFFFAOYSA-N 0 3 343.387 2.499 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1COCCN1 ZINC000600712196 468629222 /nfs/dbraw/zinc/62/92/22/468629222.db2.gz UPICCYBIYUBGDK-QWHCGFSZSA-N 0 3 325.434 2.044 20 5 EEBDHN CC[C@H](C)C[C@H](CO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375628 468685389 /nfs/dbraw/zinc/68/53/89/468685389.db2.gz XDDFXNCYXSQSPK-WCQYABFASA-N 0 3 326.393 2.499 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000595043652 468747541 /nfs/dbraw/zinc/74/75/41/468747541.db2.gz XUXSDHXYUNPGIW-YUELXQCFSA-N 0 3 335.404 2.117 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3ccncc3)C2)c1 ZINC000559637750 468749755 /nfs/dbraw/zinc/74/97/55/468749755.db2.gz ZQWPJBICYRGOBM-DOTOQJQBSA-N 0 3 343.383 2.219 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598344087 468837581 /nfs/dbraw/zinc/83/75/81/468837581.db2.gz ZTCICGBIILJRBJ-CQSZACIVSA-N 0 3 333.388 2.158 20 5 EEBDHN COc1ccc(OCCN2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000593083683 468864586 /nfs/dbraw/zinc/86/45/86/468864586.db2.gz LEAZZCSUBHTVKU-ZDUSSCGKSA-N 0 3 338.404 2.323 20 5 EEBDHN CN1CCC2(CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593137851 468883988 /nfs/dbraw/zinc/88/39/88/468883988.db2.gz NCOLJMKSZYRKGY-UHFFFAOYSA-N 0 3 335.379 2.363 20 5 EEBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccn(C)n1 ZINC000602687956 469010944 /nfs/dbraw/zinc/01/09/44/469010944.db2.gz SAEGRSYIJQAMMM-LBPRGKRZSA-N 0 3 330.392 2.043 20 5 EEBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccn(C)n1 ZINC000602687955 469012040 /nfs/dbraw/zinc/01/20/40/469012040.db2.gz SAEGRSYIJQAMMM-GFCCVEGCSA-N 0 3 330.392 2.043 20 5 EEBDHN CC1(C)C[C@@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908583 469077176 /nfs/dbraw/zinc/07/71/76/469077176.db2.gz ISLNXXYYDCNQGD-NVXWUHKLSA-N 0 3 330.388 2.067 20 5 EEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(c3ccncc3)CC2)s1 ZINC000587029815 469084540 /nfs/dbraw/zinc/08/45/40/469084540.db2.gz PNWIBFJTNHTRIR-UHFFFAOYSA-N 0 3 342.384 2.321 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000593729206 469111191 /nfs/dbraw/zinc/11/11/91/469111191.db2.gz QVKLHUZDONNFNX-LBPRGKRZSA-N 0 3 335.379 2.219 20 5 EEBDHN C[NH+](C)CCOc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596113707 469160362 /nfs/dbraw/zinc/16/03/62/469160362.db2.gz XMYJABYZQMWSEN-UHFFFAOYSA-N 0 3 346.387 2.290 20 5 EEBDHN CCCN(CCN1CCCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602959772 469191142 /nfs/dbraw/zinc/19/11/42/469191142.db2.gz GOMWRKJQRIISAB-UHFFFAOYSA-N 0 3 349.435 2.450 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244106 469208104 /nfs/dbraw/zinc/20/81/04/469208104.db2.gz AXGLRTQEFNGFKB-GUYCJALGSA-N 0 3 346.431 2.070 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000615296731 469211632 /nfs/dbraw/zinc/21/16/32/469211632.db2.gz IYYVTBIISAQPPT-VXGBXAGGSA-N 0 3 347.824 2.009 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(F)cn3)CC2)cn1 ZINC000602578161 469368476 /nfs/dbraw/zinc/36/84/76/469368476.db2.gz WGKSHXCNBSMICX-UHFFFAOYSA-N 0 3 331.351 2.283 20 5 EEBDHN Cc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424486 469391765 /nfs/dbraw/zinc/39/17/65/469391765.db2.gz YFBKUKUTLWWKHI-KRWDZBQOSA-N 0 3 348.447 2.112 20 5 EEBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000604511191 469485103 /nfs/dbraw/zinc/48/51/03/469485103.db2.gz CCXUCJHOTFGLQK-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610010115 469974235 /nfs/dbraw/zinc/97/42/35/469974235.db2.gz WNKQCXOZNBIRQH-UHFFFAOYSA-N 0 3 326.360 2.317 20 5 EEBDHN CC1([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183899935 528052611 /nfs/dbraw/zinc/05/26/11/528052611.db2.gz GCCUOMJYHUTZDT-CQSZACIVSA-N 0 3 336.388 2.449 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747575 536826579 /nfs/dbraw/zinc/82/65/79/536826579.db2.gz GGHNCOAATVIMLC-GJZGRUSLSA-N 0 3 333.388 2.105 20 5 EEBDHN C[C@@H](N[C@@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804115 577231077 /nfs/dbraw/zinc/23/10/77/577231077.db2.gz QMLNSXLHDLQBFY-RNCFNFMXSA-N 0 3 341.795 2.326 20 5 EEBDHN CN(C)C(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776274210 577456255 /nfs/dbraw/zinc/45/62/55/577456255.db2.gz CDMOXXPCVQTFPP-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN COC(=O)CCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590348 577463506 /nfs/dbraw/zinc/46/35/06/577463506.db2.gz CRNFXELIMRWUEZ-INIZCTEOSA-N 0 3 336.388 2.293 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC001021901704 676542006 /nfs/dbraw/zinc/54/20/06/676542006.db2.gz SJKFJGDXCXVCFH-OKILXGFUSA-N 0 3 344.346 2.180 20 5 EEBDHN O=C(Cc1ccco1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022874572 678692616 /nfs/dbraw/zinc/69/26/16/678692616.db2.gz GXACHGCTSNYTEV-OKILXGFUSA-N 0 3 329.356 2.167 20 5 EEBDHN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC000892781011 683036763 /nfs/dbraw/zinc/03/67/63/683036763.db2.gz JXJAGNAWIQYMEQ-INIZCTEOSA-N 0 3 337.807 2.391 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001059271681 683861893 /nfs/dbraw/zinc/86/18/93/683861893.db2.gz ANMYGUHCFGNVRH-JOCQHMNTSA-N 0 3 343.387 2.237 20 5 EEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264532 684386429 /nfs/dbraw/zinc/38/64/29/684386429.db2.gz FUFKGLBZGZQHDA-HZPDHXFCSA-N 0 3 332.404 2.015 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc2c1OCC2 ZINC000905616408 1189820267 /nfs/dbraw/zinc/82/02/67/1189820267.db2.gz IIPRXENVCVXDKJ-HNNXBMFYSA-N 0 3 344.367 2.059 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000878697257 1200625184 /nfs/dbraw/zinc/62/51/84/1200625184.db2.gz COYUJVPKMHMLTM-INIZCTEOSA-N 0 3 338.408 2.153 20 5 EEBDHN CC(COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[N+](=O)[O-] ZINC000813106023 1201099030 /nfs/dbraw/zinc/09/90/30/1201099030.db2.gz XPPHONORVXTHNM-YUMQZZPRSA-N 0 3 349.170 2.320 20 5 EEBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N+](=O)[O-] ZINC000813112044 1201122799 /nfs/dbraw/zinc/12/27/99/1201122799.db2.gz YSRJXVAXZOMPAF-LLVKDONJSA-N 0 3 337.332 2.407 20 5 EEBDHN CC(COC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)[N+](=O)[O-] ZINC000813113210 1201123594 /nfs/dbraw/zinc/12/35/94/1201123594.db2.gz CAMHVJLZRHYZPO-VIFPVBQESA-N 0 3 328.321 2.126 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000935114762 1208097574 /nfs/dbraw/zinc/09/75/74/1208097574.db2.gz SUTIAFLPJRCQRV-ZJIFWQFVSA-N 0 3 349.456 2.202 20 5 EEBDHN O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048677139 1238267060 /nfs/dbraw/zinc/26/70/60/1238267060.db2.gz LTRLFYDLRGJHSY-GASCZTMLSA-N 0 3 340.383 2.127 20 5 EEBDHN O=C(CN1CCCC1)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001057334945 1243339380 /nfs/dbraw/zinc/33/93/80/1243339380.db2.gz KJGUSZWZAMBTKL-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN CC(C)(C)OC(=O)c1ccc(O[C@@H]2CNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217999601 1297545760 /nfs/dbraw/zinc/54/57/60/1297545760.db2.gz GTAMCGOIUWLEFK-GXFFZTMASA-N 0 3 326.324 2.239 20 5 EEBDHN Cc1ocnc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234998960 1305078685 /nfs/dbraw/zinc/07/86/85/1305078685.db2.gz BWZGFPYSFOAZRM-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001226166881 1301282210 /nfs/dbraw/zinc/28/22/10/1301282210.db2.gz ZIYZKDOABJFZLI-HNNXBMFYSA-N 0 3 341.367 2.347 20 5 EEBDHN C[NH+]1CCC2(CC[C@@H](COc3nc4ccc([N+](=O)[O-])cc4[n-]3)O2)CC1 ZINC001227741254 1301948959 /nfs/dbraw/zinc/94/89/59/1301948959.db2.gz KCLJKVBBVAOMNV-ZDUSSCGKSA-N 0 3 346.387 2.493 20 5 EEBDHN C[NH+]1CCC2(CC[C@@H](COc3nc4cc([N+](=O)[O-])ccc4[n-]3)O2)CC1 ZINC001227741254 1301948962 /nfs/dbraw/zinc/94/89/62/1301948962.db2.gz KCLJKVBBVAOMNV-ZDUSSCGKSA-N 0 3 346.387 2.493 20 5 EEBDHN O=[N+]([O-])c1ccccc1N1CCC(Oc2nncc3n[nH]cc32)CC1 ZINC001230899874 1303534490 /nfs/dbraw/zinc/53/44/90/1303534490.db2.gz BSIBWUNFVWSXDB-UHFFFAOYSA-N 0 3 340.343 2.309 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000783559117 1304298979 /nfs/dbraw/zinc/29/89/79/1304298979.db2.gz JITJDWNIYUAYHH-JKSUJKDBSA-N 0 3 339.823 2.279 20 5 EEBDHN COCCCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235338013 1305197362 /nfs/dbraw/zinc/19/73/62/1305197362.db2.gz JUHZKZKAQPCNTI-UHFFFAOYSA-N 0 3 337.420 2.350 20 5 EEBDHN CCCCC(=O)NC1CC2(CC(NCc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC001120640109 1309659870 /nfs/dbraw/zinc/65/98/70/1309659870.db2.gz WMMRWCUWXRHXEH-UHFFFAOYSA-N 0 3 349.435 2.036 20 5 EEBDHN Cc1nn(CN2CCC[C@H]2[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617697 1315733836 /nfs/dbraw/zinc/73/38/36/1315733836.db2.gz RAFPTCJWNZXYQW-CJNGLKHVSA-N 0 3 345.403 2.496 20 5 EEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000842802394 1315776526 /nfs/dbraw/zinc/77/65/26/1315776526.db2.gz XSQLETYTSSVBEM-RYUDHWBXSA-N 0 3 330.381 2.232 20 5 EEBDHN O=C(/C=C\c1ccc[nH]1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157080093 1318387443 /nfs/dbraw/zinc/38/74/43/1318387443.db2.gz BZPCGZRIQPSFFJ-HJWRWDBZSA-N 0 3 328.372 2.232 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163651110 1321181873 /nfs/dbraw/zinc/18/18/73/1321181873.db2.gz YLYXEOBUGYEQRQ-DOTOQJQBSA-N 0 3 349.387 2.095 20 5 EEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1cnc2c1CNCC2 ZINC001164313293 1321348146 /nfs/dbraw/zinc/34/81/46/1321348146.db2.gz DZFYYCQODAUOQJ-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN Cc1nc(N(C)CCCN(C)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC001262029890 1322224356 /nfs/dbraw/zinc/22/43/56/1322224356.db2.gz NYRJMRLZVMGFGE-UHFFFAOYSA-N 0 3 330.392 2.047 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCCN2C)c1 ZINC001262653067 1322337768 /nfs/dbraw/zinc/33/77/68/1322337768.db2.gz YKZFHTYGLIYAKV-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN CC(C)CCCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307871955 1331552406 /nfs/dbraw/zinc/55/24/06/1331552406.db2.gz KFMKCZOMZKMCGA-UHFFFAOYSA-N 0 3 343.449 2.241 20 5 EEBDHN CCOC(=O)[C@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC12COC2 ZINC001308927043 1331609311 /nfs/dbraw/zinc/60/93/11/1331609311.db2.gz GGKJLXFVBZTPGP-OAHLLOKOSA-N 0 3 348.399 2.223 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001309171252 1331619911 /nfs/dbraw/zinc/61/99/11/1331619911.db2.gz AMYKQLBHBKLTRQ-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN COC(=O)c1cc(NC(=O)[C@H](N)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001326311242 1334065524 /nfs/dbraw/zinc/06/55/24/1334065524.db2.gz SFTPCVFSQRYXGX-CQSZACIVSA-N 0 3 335.360 2.228 20 5 EEBDHN CCCC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001609210369 1351894047 /nfs/dbraw/zinc/89/40/47/1351894047.db2.gz OHFKOKJROQWYSB-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCCC[NH+]1CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001609210369 1351894049 /nfs/dbraw/zinc/89/40/49/1351894049.db2.gz OHFKOKJROQWYSB-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCC[NH+]1CCC(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609214929 1351896428 /nfs/dbraw/zinc/89/64/28/1351896428.db2.gz JHNGFJALAWMENY-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN N[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001327086771 1334218969 /nfs/dbraw/zinc/21/89/69/1334218969.db2.gz GYJMSYZNLKPDQY-QGZVFWFLSA-N 0 3 346.431 2.151 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc3c(c2)CCC3)cc1 ZINC001335950499 1336453882 /nfs/dbraw/zinc/45/38/82/1336453882.db2.gz QUPBECKURZQPCH-RTBURBONSA-N 0 3 342.395 2.268 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256991 1349231821 /nfs/dbraw/zinc/23/18/21/1349231821.db2.gz OTAKNHYWQLBIJS-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256991 1349231825 /nfs/dbraw/zinc/23/18/25/1349231825.db2.gz OTAKNHYWQLBIJS-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590256991 1349231827 /nfs/dbraw/zinc/23/18/27/1349231827.db2.gz OTAKNHYWQLBIJS-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590256991 1349231830 /nfs/dbraw/zinc/23/18/30/1349231830.db2.gz OTAKNHYWQLBIJS-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC001593478583 1349811413 /nfs/dbraw/zinc/81/14/13/1349811413.db2.gz WENHOTBNSBJJCC-HUUCEWRRSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC001593478583 1349811415 /nfs/dbraw/zinc/81/14/15/1349811415.db2.gz WENHOTBNSBJJCC-HUUCEWRRSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC001593478583 1349811419 /nfs/dbraw/zinc/81/14/19/1349811419.db2.gz WENHOTBNSBJJCC-HUUCEWRRSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC001593478583 1349811420 /nfs/dbraw/zinc/81/14/20/1349811420.db2.gz WENHOTBNSBJJCC-HUUCEWRRSA-N 0 3 343.391 2.204 20 5 EEBDHN CC1CC[NH+](CCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001603904702 1350798881 /nfs/dbraw/zinc/79/88/81/1350798881.db2.gz ATLNTHHWZBYIQM-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1CC[NH+](CCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001603904702 1350798886 /nfs/dbraw/zinc/79/88/86/1350798886.db2.gz ATLNTHHWZBYIQM-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121699400 1371916347 /nfs/dbraw/zinc/91/63/47/1371916347.db2.gz JWAMDXQAPMDJNW-RYUDHWBXSA-N 0 3 348.407 2.385 20 5 EEBDHN Cc1cccc(-c2nnc3n2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC3)c1 ZINC000835457165 1372625974 /nfs/dbraw/zinc/62/59/74/1372625974.db2.gz XKBLMLUYGJAYOF-JSGCOSHPSA-N 0 3 344.371 2.024 20 5 EEBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1Br ZINC000847713754 1373001934 /nfs/dbraw/zinc/00/19/34/1373001934.db2.gz APFVDRAORFHCBB-LDYMZIIASA-N 0 3 332.150 2.345 20 5 EEBDHN CN(CCNC(=O)C(C)(C)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001100165953 1410606846 /nfs/dbraw/zinc/60/68/46/1410606846.db2.gz IOVBKEJCPOKQOB-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN Cc1ccc(N(C)CCCN(C)C(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001112090187 769486939 /nfs/dbraw/zinc/48/69/39/769486939.db2.gz WKLZTLFYNYVCQI-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN Cc1c(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920444891 770707613 /nfs/dbraw/zinc/70/76/13/770707613.db2.gz BOOMHWJUJGHFLP-JTQLQIEISA-N 0 3 336.348 2.026 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083314 785394855 /nfs/dbraw/zinc/39/48/55/785394855.db2.gz ZFRIRDLUGQBBKS-RDJZCZTQSA-N 0 3 328.372 2.394 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000821354766 786712406 /nfs/dbraw/zinc/71/24/06/786712406.db2.gz NGWCLAGXQFWRKV-KGLIPLIRSA-N 0 3 337.445 2.329 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107392109 787107261 /nfs/dbraw/zinc/10/72/61/787107261.db2.gz UOEOQXDESQWFEM-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN(C)C(=O)CN(C)C1CCC1 ZINC001109653236 805831199 /nfs/dbraw/zinc/83/11/99/805831199.db2.gz PKGKTCBPHDPBFR-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC([C@@H](OC(=O)COC[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845876695 789971927 /nfs/dbraw/zinc/97/19/27/789971927.db2.gz NWAXQAJVLUJBEN-BFQNTYOBSA-N 0 3 341.335 2.271 20 5 EEBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083975756 790219646 /nfs/dbraw/zinc/21/96/46/790219646.db2.gz YYXKWJAHFAZQHJ-UHFFFAOYSA-N 0 3 349.840 2.177 20 5 EEBDHN COc1cc(C)ccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148456127 792437013 /nfs/dbraw/zinc/43/70/13/792437013.db2.gz MNWMAOANFAZCNO-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CN(C)C(C)C ZINC001106779083 796522127 /nfs/dbraw/zinc/52/21/27/796522127.db2.gz UQAVTUJRSBAQBW-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCOC[C@H]2F)c1F ZINC001173185605 797280514 /nfs/dbraw/zinc/28/05/14/797280514.db2.gz AZWQQSIRDGJJBL-MVWJERBFSA-N 0 3 330.331 2.390 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095197814 797483120 /nfs/dbraw/zinc/48/31/20/797483120.db2.gz JGVCIXZSPIZCLS-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001086306463 802704754 /nfs/dbraw/zinc/70/47/54/802704754.db2.gz HQGAFDFXWSTIKB-MQMHXKEQSA-N 0 3 328.372 2.221 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025911 803591260 /nfs/dbraw/zinc/59/12/60/803591260.db2.gz JVHKDBWEUXCHQJ-IRXDYDNUSA-N 0 3 333.432 2.128 20 5 EEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001130637357 811875784 /nfs/dbraw/zinc/87/57/84/811875784.db2.gz XMSIDTMPFRRRMH-UHFFFAOYSA-N 0 3 342.399 2.173 20 5 EEBDHN CC(C)(C)CCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000055934346 214350067 /nfs/dbraw/zinc/35/00/67/214350067.db2.gz SDJHRLVLZZKVRF-UHFFFAOYSA-N 0 3 348.447 2.248 20 5 EEBDHN NC(=O)CCN(Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178570028 232263609 /nfs/dbraw/zinc/26/36/09/232263609.db2.gz QPDLVXDQBXPIME-QGZVFWFLSA-N 0 3 343.383 2.006 20 5 EEBDHN O=C(CN1CCC[C@H]1CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000069078722 215358518 /nfs/dbraw/zinc/35/85/18/215358518.db2.gz QXYZBOJZRZBXEU-HNNXBMFYSA-N 0 3 346.431 2.484 20 5 EEBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000186993123 236089562 /nfs/dbraw/zinc/08/95/62/236089562.db2.gz UYDJDKWMHARXBU-UHFFFAOYSA-N 0 3 336.348 2.059 20 5 EEBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451637248 243186240 /nfs/dbraw/zinc/18/62/40/243186240.db2.gz XIWZQEHMQHKDHU-OSAQELSMSA-N 0 3 343.387 2.342 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452062281 243339110 /nfs/dbraw/zinc/33/91/10/243339110.db2.gz RPRDZHPUXAWSCM-AWEZNQCLSA-N 0 3 336.417 2.346 20 5 EEBDHN CCOC[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713925 245222219 /nfs/dbraw/zinc/22/22/19/245222219.db2.gz OFFRFKCSEZTFBG-LSDHHAIUSA-N 0 3 338.404 2.226 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907984 247032737 /nfs/dbraw/zinc/03/27/37/247032737.db2.gz XZKYARMFTXLIDE-WCQYABFASA-N 0 3 331.376 2.105 20 5 EEBDHN CC(COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496075795 247303197 /nfs/dbraw/zinc/30/31/97/247303197.db2.gz IQZSEWYVZMHKCM-WOPDTQHZSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065890 248072707 /nfs/dbraw/zinc/07/27/07/248072707.db2.gz WPCZVPARPGOKFC-HPEDKQMDSA-N 0 3 333.388 2.325 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000266540497 248351528 /nfs/dbraw/zinc/35/15/28/248351528.db2.gz GUFZDRORXJYZPX-HZPDHXFCSA-N 0 3 334.351 2.128 20 5 EEBDHN Cn1cc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000266616330 248384990 /nfs/dbraw/zinc/38/49/90/248384990.db2.gz YDYAQDBVGRRKGI-UHFFFAOYSA-N 0 3 330.388 2.414 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283044 256228995 /nfs/dbraw/zinc/22/89/95/256228995.db2.gz CJRYJVXVRWEZBF-CABZTGNLSA-N 0 3 349.416 2.012 20 5 EEBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349432 256235906 /nfs/dbraw/zinc/23/59/06/256235906.db2.gz SNRKBGKAZPCFJJ-NSHDSACASA-N 0 3 331.319 2.329 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272960035 256252459 /nfs/dbraw/zinc/25/24/59/256252459.db2.gz NLFQZJLXISSCCV-LLVKDONJSA-N 0 3 334.376 2.229 20 5 EEBDHN CN(C(=O)CN[C@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058119 256261198 /nfs/dbraw/zinc/26/11/98/256261198.db2.gz LWUKXFBZMCYNIA-DLBZAZTESA-N 0 3 333.388 2.105 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000273504456 256302444 /nfs/dbraw/zinc/30/24/44/256302444.db2.gz VWXLZORWPJGXHJ-QWHCGFSZSA-N 0 3 342.396 2.243 20 5 EEBDHN COc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356636552 141029550 /nfs/dbraw/zinc/02/95/50/141029550.db2.gz RQCJLMCOYCUUDT-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](n2ccnc2)C1 ZINC000377168476 154070006 /nfs/dbraw/zinc/07/00/06/154070006.db2.gz MIBYIVANPCSMFX-LBPRGKRZSA-N 0 3 340.343 2.145 20 5 EEBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C)CC1 ZINC000067271100 159009347 /nfs/dbraw/zinc/00/93/47/159009347.db2.gz QTBWQLZXALTSCV-LBPRGKRZSA-N 0 3 345.403 2.321 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000081996328 159159427 /nfs/dbraw/zinc/15/94/27/159159427.db2.gz ZYHZZHWMCJZAFJ-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193132246 160178319 /nfs/dbraw/zinc/17/83/19/160178319.db2.gz PGZJTPYVQRADFX-UHFFFAOYSA-N 0 3 349.840 2.114 20 5 EEBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000343078026 161101010 /nfs/dbraw/zinc/10/10/10/161101010.db2.gz ZTYLLFOTBHDYCF-UONOGXRCSA-N 0 3 335.404 2.353 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCN1C ZINC000343427230 161134832 /nfs/dbraw/zinc/13/48/32/161134832.db2.gz DWIFRNMKKVXNNQ-KOLCDFICSA-N 0 3 343.330 2.409 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000344077648 161196560 /nfs/dbraw/zinc/19/65/60/161196560.db2.gz WRBROGFTYDNZIG-BHYGNILZSA-N 0 3 347.415 2.340 20 5 EEBDHN CC(C)N(CCCS(=O)(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000344231743 161209558 /nfs/dbraw/zinc/20/95/58/161209558.db2.gz ORZYXYXNTQJLPQ-UHFFFAOYSA-N 0 3 343.449 2.087 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344397371 161223408 /nfs/dbraw/zinc/22/34/08/161223408.db2.gz SQHRBFYTWPBMDZ-IAGOWNOFSA-N 0 3 333.388 2.389 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344699348 161236938 /nfs/dbraw/zinc/23/69/38/161236938.db2.gz WCTXQXCRNSASDL-HNNXBMFYSA-N 0 3 334.420 2.243 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C2CC2)CCO1 ZINC000344797218 161246537 /nfs/dbraw/zinc/24/65/37/161246537.db2.gz WCQFTHOTQCVEIP-MOVXZBDNSA-N 0 3 331.416 2.451 20 5 EEBDHN CCN(CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000345164064 161277795 /nfs/dbraw/zinc/27/77/95/161277795.db2.gz QPTDMGQOWRZIBQ-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CC2)CCOCC1 ZINC000375700256 167178080 /nfs/dbraw/zinc/17/80/80/167178080.db2.gz ZDKNSARBUBIGGT-UHFFFAOYSA-N 0 3 333.388 2.391 20 5 EEBDHN CCOc1cc(NC(=O)NCCN(C)C)c([N+](=O)[O-])cc1OCC ZINC000272644705 269003416 /nfs/dbraw/zinc/00/34/16/269003416.db2.gz MALJUXVGSNXHMT-UHFFFAOYSA-N 0 3 340.380 2.075 20 5 EEBDHN Cc1cc(NC(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000274822532 269058402 /nfs/dbraw/zinc/05/84/02/269058402.db2.gz OZUDFZBONUQNJF-OAHLLOKOSA-N 0 3 338.433 2.462 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275473798 269119272 /nfs/dbraw/zinc/11/92/72/269119272.db2.gz PFDPIVYSMDAIRB-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CC2)c(Cl)c1 ZINC000277430055 269155316 /nfs/dbraw/zinc/15/53/16/269155316.db2.gz BYRXPVIGOYIXJG-UHFFFAOYSA-N 0 3 325.796 2.203 20 5 EEBDHN C[C@H](Cn1cccn1)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271472156 274134197 /nfs/dbraw/zinc/13/41/97/274134197.db2.gz WBUXACNJTSBVGA-CYBMUJFWSA-N 0 3 340.387 2.370 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274604748 274210301 /nfs/dbraw/zinc/21/03/01/274210301.db2.gz UYEQGYKWMAINSY-UHFFFAOYSA-N 0 3 325.796 2.343 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)[C@H](C)CN1CCO ZINC000419002697 274364310 /nfs/dbraw/zinc/36/43/10/274364310.db2.gz PWLLGJNQRNEWDB-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)N2CCCC2)n1 ZINC000286170055 274844256 /nfs/dbraw/zinc/84/42/56/274844256.db2.gz PKWKSSXCOKPFKS-AWEZNQCLSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC000287966055 275010629 /nfs/dbraw/zinc/01/06/29/275010629.db2.gz YZSKKUUZPIOFEP-CYBMUJFWSA-N 0 3 335.404 2.467 20 5 EEBDHN COCCOCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290255791 275192731 /nfs/dbraw/zinc/19/27/31/275192731.db2.gz WCSXUIIQPRSRTM-UHFFFAOYSA-N 0 3 348.403 2.090 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000170712193 278215081 /nfs/dbraw/zinc/21/50/81/278215081.db2.gz HNIKWDRUFFWLPO-BBRMVZONSA-N 0 3 332.404 2.092 20 5 EEBDHN CCN(CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344935274 279120422 /nfs/dbraw/zinc/12/04/22/279120422.db2.gz LXZFKNDDZAKYLV-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000453047013 280375977 /nfs/dbraw/zinc/37/59/77/280375977.db2.gz YXKCIWDRQHJJDH-IIDMSEBBSA-N 0 3 332.400 2.455 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359509099 289186233 /nfs/dbraw/zinc/18/62/33/289186233.db2.gz FKLXKMAYHGVKDB-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281766487 292784748 /nfs/dbraw/zinc/78/47/48/292784748.db2.gz SVCATXCPFDTWPB-AWEZNQCLSA-N 0 3 349.431 2.471 20 5 EEBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293221581 293154879 /nfs/dbraw/zinc/15/48/79/293154879.db2.gz XYJBBRZODVIQBB-MRXNPFEDSA-N 0 3 335.404 2.310 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000297392484 294231730 /nfs/dbraw/zinc/23/17/30/294231730.db2.gz RCSVHTQNXAZEMP-SFHVURJKSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@@H+](C)C1CC1 ZINC000416502269 313240088 /nfs/dbraw/zinc/24/00/88/313240088.db2.gz OUYOFCIZIFRUDR-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[N@H+](C)C1CC1 ZINC000416502269 313240090 /nfs/dbraw/zinc/24/00/90/313240090.db2.gz OUYOFCIZIFRUDR-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2C[C@H](C)NC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417711870 313574080 /nfs/dbraw/zinc/57/40/80/313574080.db2.gz DYLHDBHPWXZNST-KBPBESRZSA-N 0 3 349.435 2.097 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000420410468 313952384 /nfs/dbraw/zinc/95/23/84/313952384.db2.gz AKGHTHMQNDXYEO-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000421703685 314144533 /nfs/dbraw/zinc/14/45/33/314144533.db2.gz MTKZJEZXJDWJTJ-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000441376043 315183930 /nfs/dbraw/zinc/18/39/30/315183930.db2.gz IZOMSUHBDFYLPG-JSGCOSHPSA-N 0 3 349.387 2.392 20 5 EEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3c(c2)OCCCCO3)c1 ZINC000449194131 315430094 /nfs/dbraw/zinc/43/00/94/315430094.db2.gz OJTRPVCOAZPABA-UHFFFAOYSA-N 0 3 332.360 2.133 20 5 EEBDHN CS(=O)(=O)CC1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449370299 315439847 /nfs/dbraw/zinc/43/98/47/315439847.db2.gz JHLARJFVVYITNP-UHFFFAOYSA-N 0 3 344.408 2.427 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738969 318317921 /nfs/dbraw/zinc/31/79/21/318317921.db2.gz BANREOLNTYDITM-MRXNPFEDSA-N 0 3 349.431 2.383 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000548410831 318386824 /nfs/dbraw/zinc/38/68/24/318386824.db2.gz JMLTYVPZLXMNMY-GFCCVEGCSA-N 0 3 337.405 2.192 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000562402310 318878180 /nfs/dbraw/zinc/87/81/80/318878180.db2.gz VFEGUCFGVFMSQZ-NILFDRSVSA-N 0 3 337.445 2.202 20 5 EEBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000566231242 319262553 /nfs/dbraw/zinc/26/25/53/319262553.db2.gz NUVKWIIMECWHJZ-ZANVPECISA-N 0 3 349.309 2.215 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C ZINC000576254376 320156028 /nfs/dbraw/zinc/15/60/28/320156028.db2.gz JJSMUSCWQHTLQS-RISCZKNCSA-N 0 3 331.376 2.048 20 5 EEBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182250797 323370172 /nfs/dbraw/zinc/37/01/72/323370172.db2.gz YXSBJBGXJPHSAV-WFASDCNBSA-N 0 3 337.376 2.089 20 5 EEBDHN CC(C)Oc1nc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000520838159 448937926 /nfs/dbraw/zinc/93/79/26/448937926.db2.gz RPKGYKBJRNGKOS-CYBMUJFWSA-N 0 3 338.408 2.036 20 5 EEBDHN CCNc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000326900839 465045046 /nfs/dbraw/zinc/04/50/46/465045046.db2.gz KZMIAYOSGGPSMH-QGZVFWFLSA-N 0 3 332.404 2.194 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(Cc2ccccc2)c1 ZINC000358316947 465055743 /nfs/dbraw/zinc/05/57/43/465055743.db2.gz JHHPTGHHYWMCQU-AWEZNQCLSA-N 0 3 340.387 2.387 20 5 EEBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000341279461 465090991 /nfs/dbraw/zinc/09/09/91/465090991.db2.gz JUSCYQXHKALUPW-HNNXBMFYSA-N 0 3 342.399 2.789 20 5 EEBDHN CC(=O)NCC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347625937 465131659 /nfs/dbraw/zinc/13/16/59/465131659.db2.gz DCRSSCYEIGGLKW-HNNXBMFYSA-N 0 3 335.404 2.212 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863789 465199849 /nfs/dbraw/zinc/19/98/49/465199849.db2.gz YEBSAFBZZQHHLR-RDJZCZTQSA-N 0 3 347.394 2.031 20 5 EEBDHN Cn1cc(CN[C@@H]2C=C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771846 465218735 /nfs/dbraw/zinc/21/87/35/465218735.db2.gz AZHXINJHJUCRIS-IUODEOHRSA-N 0 3 328.372 2.022 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346221415 466002537 /nfs/dbraw/zinc/00/25/37/466002537.db2.gz LMRRCHJMQUZAAI-MRVPVSSYSA-N 0 3 344.209 2.346 20 5 EEBDHN CC[C@H]1CCCCN1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342136988 465295189 /nfs/dbraw/zinc/29/51/89/465295189.db2.gz VVUNTZPJWXQCBQ-LBPRGKRZSA-N 0 3 345.403 2.920 20 5 EEBDHN COC[C@@](C)(CCO)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085902971 462563443 /nfs/dbraw/zinc/56/34/43/462563443.db2.gz ZTFCDXZNNVKKBA-QGZVFWFLSA-N 0 3 349.387 2.169 20 5 EEBDHN CCCCN(C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087137355 462591891 /nfs/dbraw/zinc/59/18/91/462591891.db2.gz SMOWCGUWIFXVRF-UHFFFAOYSA-N 0 3 334.420 2.394 20 5 EEBDHN CNC(=O)c1ccc(N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000063739745 462667876 /nfs/dbraw/zinc/66/78/76/462667876.db2.gz YXEVPOITTSJHQU-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN C[C@@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015508 462767274 /nfs/dbraw/zinc/76/72/74/462767274.db2.gz ZULJWTNRZLATKX-CHWSQXEVSA-N 0 3 341.433 2.041 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c2ccncc21 ZINC000076268593 462832407 /nfs/dbraw/zinc/83/24/07/462832407.db2.gz WZXFYZRBZGGCHU-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155525075 462903072 /nfs/dbraw/zinc/90/30/72/462903072.db2.gz WLQRCGLAMJTNOQ-WBMJQRKESA-N 0 3 335.404 2.338 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000590756118 468328505 /nfs/dbraw/zinc/32/85/05/468328505.db2.gz GSHZJHYHRPONIG-HFBAOOFYSA-N 0 3 333.388 2.245 20 5 EEBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000067744356 463046247 /nfs/dbraw/zinc/04/62/47/463046247.db2.gz MUJGUNGLMCTLHI-UHFFFAOYSA-N 0 3 341.433 2.138 20 5 EEBDHN COc1ccc(-c2ccc(CN3CC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000157150571 463103753 /nfs/dbraw/zinc/10/37/53/463103753.db2.gz IYPDATNCTNCEPA-LLVKDONJSA-N 0 3 345.355 2.171 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068211047 463104855 /nfs/dbraw/zinc/10/48/55/463104855.db2.gz PZRABIXBERAIIF-GHMZBOCLSA-N 0 3 338.383 2.166 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN[C@]2(CO)CCc3ccccc32)c1 ZINC000136185151 463226563 /nfs/dbraw/zinc/22/65/63/463226563.db2.gz WJJFTRKSOUGLAI-SFHVURJKSA-N 0 3 328.368 2.397 20 5 EEBDHN CNc1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055404159 463316513 /nfs/dbraw/zinc/31/65/13/463316513.db2.gz HCQSPRFNZRQLCO-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1[O-] ZINC000105442809 463452667 /nfs/dbraw/zinc/45/26/67/463452667.db2.gz NJVDXOMNZMDXAT-NSHDSACASA-N 0 3 334.376 2.240 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125094434 463502525 /nfs/dbraw/zinc/50/25/25/463502525.db2.gz BVDUIURYKBIULW-WDEREUQCSA-N 0 3 347.462 2.116 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331109 463636671 /nfs/dbraw/zinc/63/66/71/463636671.db2.gz BXOVHVKRKINJCP-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000043804777 463657131 /nfs/dbraw/zinc/65/71/31/463657131.db2.gz IJPMKDVVSREWEK-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000286869653 463729859 /nfs/dbraw/zinc/72/98/59/463729859.db2.gz CQVJNGFNRRKWMT-CYBMUJFWSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1cc(N2CC[C@H](C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000276974257 463827057 /nfs/dbraw/zinc/82/70/57/463827057.db2.gz GFLFOHRWBAPKSL-LBPRGKRZSA-N 0 3 349.412 2.465 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000171450220 463866607 /nfs/dbraw/zinc/86/66/07/463866607.db2.gz ILNJAFSWITUNNW-AWEZNQCLSA-N 0 3 335.429 2.384 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171853044 463937458 /nfs/dbraw/zinc/93/74/58/463937458.db2.gz CVAPBJIPGKREJV-AWEZNQCLSA-N 0 3 349.435 2.180 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000269309695 463948739 /nfs/dbraw/zinc/94/87/39/463948739.db2.gz HKPHMCWODBTZQP-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292652285 464299524 /nfs/dbraw/zinc/29/95/24/464299524.db2.gz BTZGMKLKTSSPNM-QGZVFWFLSA-N 0 3 348.403 2.089 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000281632190 464528590 /nfs/dbraw/zinc/52/85/90/464528590.db2.gz QOYRHWWWBXKUFS-GJZGRUSLSA-N 0 3 349.431 2.471 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294656110 464565253 /nfs/dbraw/zinc/56/52/53/464565253.db2.gz YWRRZJPYUVQXFL-UHFFFAOYSA-N 0 3 339.367 2.204 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000282312101 464773817 /nfs/dbraw/zinc/77/38/17/464773817.db2.gz DNIGEFJMMSWSEI-UHFFFAOYSA-N 0 3 346.431 2.406 20 5 EEBDHN C[C@H]1COCCN1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734004 464987860 /nfs/dbraw/zinc/98/78/60/464987860.db2.gz PHQVTCQPZGRISF-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184723490 465022095 /nfs/dbraw/zinc/02/20/95/465022095.db2.gz AXVQOTWYQRHZGD-UHFFFAOYSA-N 0 3 326.784 2.142 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000342408449 465319124 /nfs/dbraw/zinc/31/91/24/465319124.db2.gz CDALOOYBEDUYNM-QRTARXTBSA-N 0 3 335.379 2.471 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000343801759 465555837 /nfs/dbraw/zinc/55/58/37/465555837.db2.gz DCNSUNAGZIBBOI-SMDDNHRTSA-N 0 3 330.392 2.379 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230209 466010663 /nfs/dbraw/zinc/01/06/63/466010663.db2.gz MEUSEROJOBDWHB-AHIWAGSCSA-N 0 3 349.406 2.465 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)cc1SC ZINC000591678122 468501359 /nfs/dbraw/zinc/50/13/59/468501359.db2.gz JNLRUCYFOFEUFQ-UHFFFAOYSA-N 0 3 339.417 2.149 20 5 EEBDHN C[C@@H](c1cnn(C)c1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411505135 466837170 /nfs/dbraw/zinc/83/71/70/466837170.db2.gz WTSQMNQCEOOSMN-LBPRGKRZSA-N 0 3 331.376 2.350 20 5 EEBDHN Cc1ccc([C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365517644 466843744 /nfs/dbraw/zinc/84/37/44/466843744.db2.gz UGJLSOPKUUGDAT-MRXNPFEDSA-N 0 3 330.388 2.470 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411722788 466886205 /nfs/dbraw/zinc/88/62/05/466886205.db2.gz RPCVKBTUYOUJQQ-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@@H]1NCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417714483 466915756 /nfs/dbraw/zinc/91/57/56/466915756.db2.gz HPECYHSVSMNDPO-KBPBESRZSA-N 0 3 334.420 2.309 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411980418 466955547 /nfs/dbraw/zinc/95/55/47/466955547.db2.gz NLKPWWSNVZKMQP-DLBZAZTESA-N 0 3 325.368 2.296 20 5 EEBDHN C[C@H]1CN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257730 467198796 /nfs/dbraw/zinc/19/87/96/467198796.db2.gz DBPBYNVFWPTUNY-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EEBDHN Cc1c([C@H]2OCC[C@@H]2NCCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000431948216 467205628 /nfs/dbraw/zinc/20/56/28/467205628.db2.gz DHVCLFOJUNTPDD-DLBZAZTESA-N 0 3 346.387 2.135 20 5 EEBDHN CN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433231070 467310184 /nfs/dbraw/zinc/31/01/84/467310184.db2.gz HWLNARGCSWVEJO-GFCCVEGCSA-N 0 3 342.758 2.077 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000434244362 467383961 /nfs/dbraw/zinc/38/39/61/467383961.db2.gz HNGQZECYQICUEM-ZDUSSCGKSA-N 0 3 349.435 2.436 20 5 EEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2n[nH]c(C3CC3)n2)n1 ZINC000453271037 467475236 /nfs/dbraw/zinc/47/52/36/467475236.db2.gz FYCWNPCUPQHXKG-VXGBXAGGSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000420924698 467515696 /nfs/dbraw/zinc/51/56/96/467515696.db2.gz KGVYXFVUOYOJDF-OLZOCXBDSA-N 0 3 338.408 2.234 20 5 EEBDHN CN(CCN1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448905196 467604991 /nfs/dbraw/zinc/60/49/91/467604991.db2.gz YQHPEPIMLZEYJT-UHFFFAOYSA-N 0 3 333.388 2.112 20 5 EEBDHN CC(C)(CN1CCCC1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449771583 467711853 /nfs/dbraw/zinc/71/18/53/467711853.db2.gz KBINULSZDBHJJS-UHFFFAOYSA-N 0 3 335.404 2.425 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000457140312 467764910 /nfs/dbraw/zinc/76/49/10/467764910.db2.gz YLARIPAGUALJSH-AWEZNQCLSA-N 0 3 335.404 2.305 20 5 EEBDHN Cc1nc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305804 467822764 /nfs/dbraw/zinc/82/27/64/467822764.db2.gz RLCSFSCRSVEGQW-BETUJISGSA-N 0 3 349.435 2.019 20 5 EEBDHN CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000515496122 467995042 /nfs/dbraw/zinc/99/50/42/467995042.db2.gz FNDNJOQHWJDEDG-UONOGXRCSA-N 0 3 333.388 2.302 20 5 EEBDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488195737 468076476 /nfs/dbraw/zinc/07/64/76/468076476.db2.gz DKOLIWYLCSFFPW-BBRMVZONSA-N 0 3 334.420 2.194 20 5 EEBDHN COc1cc(CN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000488517904 468090024 /nfs/dbraw/zinc/09/00/24/468090024.db2.gz DEDGBLOMDTWSOD-OAHLLOKOSA-N 0 3 337.420 2.384 20 5 EEBDHN CO[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598679 468180257 /nfs/dbraw/zinc/18/02/57/468180257.db2.gz RTWKHNWDFZFDNA-QAPCUYQASA-N 0 3 346.383 2.312 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594215687 468515179 /nfs/dbraw/zinc/51/51/79/468515179.db2.gz STXBCCJLUGEHTL-ZBFHGGJFSA-N 0 3 332.404 2.411 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594417635 468578598 /nfs/dbraw/zinc/57/85/98/468578598.db2.gz CXJQGJURVVHLLY-WCQYABFASA-N 0 3 335.408 2.017 20 5 EEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000600964306 468699129 /nfs/dbraw/zinc/69/91/29/468699129.db2.gz NYXDXIRPSQFKHN-UHFFFAOYSA-N 0 3 330.319 2.091 20 5 EEBDHN COC(=O)c1cc(C)nc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570993732 468724015 /nfs/dbraw/zinc/72/40/15/468724015.db2.gz ZZUXIRGRSODKNF-ZDUSSCGKSA-N 0 3 348.403 2.149 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595472320 468866672 /nfs/dbraw/zinc/86/66/72/468866672.db2.gz KXCLCJPMMIGCID-INIZCTEOSA-N 0 3 349.431 2.290 20 5 EEBDHN CCN1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000595535051 468891082 /nfs/dbraw/zinc/89/10/82/468891082.db2.gz LPDADQHUUTZKFE-ZDUSSCGKSA-N 0 3 335.404 2.377 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598605640 468930255 /nfs/dbraw/zinc/93/02/55/468930255.db2.gz CKQZKIYMNOXNRJ-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c(F)c1 ZINC000610476232 468978937 /nfs/dbraw/zinc/97/89/37/468978937.db2.gz JVQKANCYSYMWQP-MRXNPFEDSA-N 0 3 337.395 2.421 20 5 EEBDHN CCOc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515204 468990996 /nfs/dbraw/zinc/99/09/96/468990996.db2.gz BGOSONPUCRNHNE-ZBFHGGJFSA-N 0 3 335.404 2.029 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CC[C@H](O)C3)o2)c1 ZINC000599019079 469090030 /nfs/dbraw/zinc/09/00/30/469090030.db2.gz QBYLUQFILXPLBM-HNNXBMFYSA-N 0 3 331.372 2.011 20 5 EEBDHN NC(=O)c1cc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596055316 469130184 /nfs/dbraw/zinc/13/01/84/469130184.db2.gz WDNMCSFZUCXJET-HNNXBMFYSA-N 0 3 340.383 2.380 20 5 EEBDHN Nc1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)nc1[N+](=O)[O-] ZINC000596100927 469155004 /nfs/dbraw/zinc/15/50/04/469155004.db2.gz DPEAGYBMYIPSDK-LBPRGKRZSA-N 0 3 347.444 2.958 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn(CCN(C)C)c1 ZINC000601588264 485632715 /nfs/dbraw/zinc/63/27/15/485632715.db2.gz VSTPVKWDIQDRER-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156239876 533734581 /nfs/dbraw/zinc/73/45/81/533734581.db2.gz ZYPIUUWHROUFIY-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1Cc1ccccc1 ZINC000159708240 534320877 /nfs/dbraw/zinc/32/08/77/534320877.db2.gz HZJFBXFIPAKWOB-INIZCTEOSA-N 0 3 327.384 2.464 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000132118574 534321025 /nfs/dbraw/zinc/32/10/25/534321025.db2.gz QHWXZMWNCGDWDD-HNNXBMFYSA-N 0 3 345.374 2.460 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153601303 529147111 /nfs/dbraw/zinc/14/71/11/529147111.db2.gz LJJVDYGVCPONSR-LBPRGKRZSA-N 0 3 341.843 2.329 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000446438021 535867294 /nfs/dbraw/zinc/86/72/94/535867294.db2.gz MJHMOLMVBROIAE-UHFFFAOYSA-N 0 3 331.372 2.321 20 5 EEBDHN CCN(C[C@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738080566 576430155 /nfs/dbraw/zinc/43/01/55/576430155.db2.gz GWDRMPUNVZMIHS-CYBMUJFWSA-N 0 3 331.376 2.169 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000741243261 578115266 /nfs/dbraw/zinc/11/52/66/578115266.db2.gz ULJCGNQTWRAOEC-ZDUSSCGKSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1ccc(CC(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001021982093 676570674 /nfs/dbraw/zinc/57/06/74/676570674.db2.gz PCFONVPCFBCLJN-GASCZTMLSA-N 0 3 343.383 2.476 20 5 EEBDHN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930655127 684328159 /nfs/dbraw/zinc/32/81/59/684328159.db2.gz NTBUSZVTTKFNHT-KGLIPLIRSA-N 0 3 327.425 2.232 20 5 EEBDHN O=C(c1cccnc1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989859259 692394670 /nfs/dbraw/zinc/39/46/70/692394670.db2.gz SAASALFFDXQFMX-UHFFFAOYSA-N 0 3 346.412 2.446 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccc3c2OCCO3)c1 ZINC000905702678 1189873476 /nfs/dbraw/zinc/87/34/76/1189873476.db2.gz DPRVIVSFTYKMLI-OAHLLOKOSA-N 0 3 330.340 2.189 20 5 EEBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001034645138 1196466936 /nfs/dbraw/zinc/46/69/36/1196466936.db2.gz WKZJSBTUYGTFCJ-HAQNSBGRSA-N 0 3 349.416 2.210 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877347080 1199910333 /nfs/dbraw/zinc/91/03/33/1199910333.db2.gz QILKHVNDVISJFL-OAHLLOKOSA-N 0 3 340.383 2.081 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC001132801773 1200038371 /nfs/dbraw/zinc/03/83/71/1200038371.db2.gz GTDODOXLIYVYSB-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN COC(=O)c1cc(Br)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103597 1201097376 /nfs/dbraw/zinc/09/73/76/1201097376.db2.gz QXTUKOSUEDSBHR-ZETCQYMHSA-N 0 3 346.133 2.058 20 5 EEBDHN Cc1c(Br)cc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813102113 1201097710 /nfs/dbraw/zinc/09/77/10/1201097710.db2.gz NWOUXHBKBHKIKY-ZCFIWIBFSA-N 0 3 347.121 2.488 20 5 EEBDHN CC(COC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)[N+](=O)[O-] ZINC000813108025 1201117146 /nfs/dbraw/zinc/11/71/46/1201117146.db2.gz UACFLQOWCRBPAY-MRVPVSSYSA-N 0 3 344.249 2.108 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866490983 1201530345 /nfs/dbraw/zinc/53/03/45/1201530345.db2.gz HEAJQQSYRSURGB-UHFFFAOYSA-N 0 3 349.362 2.460 20 5 EEBDHN COCCN1[C@H](C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000130236619 1201952853 /nfs/dbraw/zinc/95/28/53/1201952853.db2.gz XIZYFWJIJWVLDQ-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137680 1211324088 /nfs/dbraw/zinc/32/40/88/1211324088.db2.gz GUWITRISZQGTBB-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096038018 1233837516 /nfs/dbraw/zinc/83/75/16/1233837516.db2.gz NKQZEWGWWBQICN-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001055927829 1238491646 /nfs/dbraw/zinc/49/16/46/1238491646.db2.gz WRTDSVQBMXHLBL-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097203815 1243819026 /nfs/dbraw/zinc/81/90/26/1243819026.db2.gz YHOMQJOBALVEBC-TXEJJXNPSA-N 0 3 338.383 2.135 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000827497066 1248229524 /nfs/dbraw/zinc/22/95/24/1248229524.db2.gz SFQGZKNTNHVBBA-CHWSQXEVSA-N 0 3 328.372 2.418 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853498717 1292401962 /nfs/dbraw/zinc/40/19/62/1292401962.db2.gz QEXHVWBWQMRLIH-OAHLLOKOSA-N 0 3 344.419 2.083 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1)[N+](=O)[O-] ZINC000860777144 1295104657 /nfs/dbraw/zinc/10/46/57/1295104657.db2.gz LDTWEIZGQMUCKU-SECBINFHSA-N 0 3 325.321 2.251 20 5 EEBDHN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CNCc3ccccc32)[nH]1 ZINC001218485617 1297677595 /nfs/dbraw/zinc/67/75/95/1297677595.db2.gz DPLSMEOLSIWLSM-HNNXBMFYSA-N 0 3 338.323 2.467 20 5 EEBDHN COCCC[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743741 1301949939 /nfs/dbraw/zinc/94/99/39/1301949939.db2.gz XDXFIIZAUBFLOY-UHFFFAOYSA-N 0 3 334.376 2.351 20 5 EEBDHN COCCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743741 1301949945 /nfs/dbraw/zinc/94/99/45/1301949945.db2.gz XDXFIIZAUBFLOY-UHFFFAOYSA-N 0 3 334.376 2.351 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)C[C@H]1N2C ZINC001229113814 1302624147 /nfs/dbraw/zinc/62/41/47/1302624147.db2.gz FMJUNRQZMZVJFG-VKNWSKTCSA-N 0 3 346.383 2.480 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC001111828137 1303957307 /nfs/dbraw/zinc/95/73/07/1303957307.db2.gz SAWGYKDRENZKTB-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000839635740 1315223756 /nfs/dbraw/zinc/22/37/56/1315223756.db2.gz JSPQXIOIKUHHMX-KZNAEPCWSA-N 0 3 328.368 2.436 20 5 EEBDHN CC(C)n1cccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151212783 1316478002 /nfs/dbraw/zinc/47/80/02/1316478002.db2.gz GOIGAMGVWLIKDK-UHFFFAOYSA-N 0 3 330.388 2.497 20 5 EEBDHN O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001154758764 1317299646 /nfs/dbraw/zinc/29/96/46/1317299646.db2.gz DSZQLOMKICJGRY-UHFFFAOYSA-N 0 3 329.356 2.210 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(Cc3ccncc3)cn1)C2 ZINC001254585682 1318133943 /nfs/dbraw/zinc/13/39/43/1318133943.db2.gz DWDMXYWEUGYGEJ-KRWDZBQOSA-N 0 3 349.394 2.492 20 5 EEBDHN CC(C)C(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598605 1318137975 /nfs/dbraw/zinc/13/79/75/1318137975.db2.gz IFRIBTIRCAETQX-QGZVFWFLSA-N 0 3 331.416 2.299 20 5 EEBDHN Cc1ccnc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612154 1318145986 /nfs/dbraw/zinc/14/59/86/1318145986.db2.gz VKNKWIHBVJKAJB-SJORKVTESA-N 0 3 340.383 2.314 20 5 EEBDHN Cc1cc(N2CCN3CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158430303 1319234480 /nfs/dbraw/zinc/23/44/80/1319234480.db2.gz CWMPZAYHXINKFA-OAHLLOKOSA-N 0 3 325.372 2.255 20 5 EEBDHN O=[N+]([O-])c1ccc(NCc2nnn3c2CNCCC3)c2ccccc21 ZINC001162979654 1321003986 /nfs/dbraw/zinc/00/39/86/1321003986.db2.gz QJLWLNUXCHUCLT-UHFFFAOYSA-N 0 3 338.371 2.445 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1ncc[nH]1 ZINC001164454445 1321383987 /nfs/dbraw/zinc/38/39/87/1321383987.db2.gz UGRNTOXEKDOKNT-UHFFFAOYSA-N 0 3 343.387 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001262596232 1322330185 /nfs/dbraw/zinc/33/01/85/1322330185.db2.gz WYGMDKWOPKBUCE-HNNXBMFYSA-N 0 3 347.327 2.033 20 5 EEBDHN Cn1cc([C@@H](O)CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC001308292487 1331582296 /nfs/dbraw/zinc/58/22/96/1331582296.db2.gz MMJODBNCMXQSML-INIZCTEOSA-N 0 3 342.355 2.412 20 5 EEBDHN Cc1nc(NCC2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001330080360 1334775958 /nfs/dbraw/zinc/77/59/58/1334775958.db2.gz WLPMRAHLNIELAQ-UHFFFAOYSA-N 0 3 342.403 2.412 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC001331113078 1334965619 /nfs/dbraw/zinc/96/56/19/1334965619.db2.gz QBAWAVOIAXYPCN-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN COC(=O)[C@H]1C[C@@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC001346534639 1337486057 /nfs/dbraw/zinc/48/60/57/1337486057.db2.gz FLCMRHQZOXCIOL-KZWBYHQPSA-N 0 3 339.319 2.274 20 5 EEBDHN CC(COC(=O)c1ccccc1[S@@](=O)C(F)(F)F)[N+](=O)[O-] ZINC001348534324 1337558419 /nfs/dbraw/zinc/55/84/19/1337558419.db2.gz UNWTVAMRFFMCPC-WODJRTHDSA-N 0 3 325.264 2.136 20 5 EEBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723624 1351218301 /nfs/dbraw/zinc/21/83/01/1351218301.db2.gz SUZJLPMOCBBVFB-YOGCLGLASA-N 0 3 343.391 2.120 20 5 EEBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723624 1351218304 /nfs/dbraw/zinc/21/83/04/1351218304.db2.gz SUZJLPMOCBBVFB-YOGCLGLASA-N 0 3 343.391 2.120 20 5 EEBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723624 1351218307 /nfs/dbraw/zinc/21/83/07/1351218307.db2.gz SUZJLPMOCBBVFB-YOGCLGLASA-N 0 3 343.391 2.120 20 5 EEBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723624 1351218311 /nfs/dbraw/zinc/21/83/11/1351218311.db2.gz SUZJLPMOCBBVFB-YOGCLGLASA-N 0 3 343.391 2.120 20 5 EEBDHN C[C@@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)N1C ZINC000840090988 1372921836 /nfs/dbraw/zinc/92/18/36/1372921836.db2.gz XFSQPQGAZNAGFM-OKILXGFUSA-N 0 3 329.404 2.440 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576482301 1403577570 /nfs/dbraw/zinc/57/75/70/1403577570.db2.gz PBDBPSQVZYIQRX-UHFFFAOYSA-N 0 3 340.383 2.481 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714971 786434679 /nfs/dbraw/zinc/43/46/79/786434679.db2.gz JTEIPGUPKQTRRD-CABCVRRESA-N 0 3 343.387 2.095 20 5 EEBDHN Cc1cc(NC/C=C/CNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001107232830 786546895 /nfs/dbraw/zinc/54/68/95/786546895.db2.gz JCLJHKAUAIZXLV-AATRIKPKSA-N 0 3 334.420 2.328 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000821354768 786714147 /nfs/dbraw/zinc/71/41/47/786714147.db2.gz NGWCLAGXQFWRKV-ZIAGYGMSSA-N 0 3 337.445 2.329 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000843849726 788688670 /nfs/dbraw/zinc/68/86/70/788688670.db2.gz AYZCQRXSIAOKIE-LLVKDONJSA-N 0 3 348.359 2.192 20 5 EEBDHN COC(=O)C[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875906 789972072 /nfs/dbraw/zinc/97/20/72/789972072.db2.gz LTPBBABWWVLPDC-BHDSKKPTSA-N 0 3 327.308 2.274 20 5 EEBDHN Cc1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1[N+](=O)[O-] ZINC000913866473 794434198 /nfs/dbraw/zinc/43/41/98/794434198.db2.gz WWOJZAOJSKHICA-HNNXBMFYSA-N 0 3 340.401 2.098 20 5 EEBDHN CN(C)C1(C(=O)NCCCNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001094621553 796493658 /nfs/dbraw/zinc/49/36/58/796493658.db2.gz DPLBBTXZPHUPTO-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094640035 796509883 /nfs/dbraw/zinc/50/98/83/796509883.db2.gz NWRRRTWORLCJCO-UHFFFAOYSA-N 0 3 340.399 2.382 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001110265974 801085618 /nfs/dbraw/zinc/08/56/18/801085618.db2.gz GLFPWTIJOBCTQH-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC(=O)N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355500 809902545 /nfs/dbraw/zinc/90/25/45/809902545.db2.gz HGKDQGGJVWIOLG-ZFWWWQNUSA-N 0 3 347.415 2.231 20 5 EEBDHN COc1ccc(C)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130981752 812260424 /nfs/dbraw/zinc/26/04/24/812260424.db2.gz ZLMRFAZAFKXMDO-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826950 1119514052 /nfs/dbraw/zinc/51/40/52/1119514052.db2.gz NSTGUUVFNLKIIV-OUAUKWLOSA-N 0 3 325.796 2.388 20 5 EEBDHN CN(CCN(C)C1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186742252 529903346 /nfs/dbraw/zinc/90/33/46/529903346.db2.gz VNQKBUIEMCMJJL-UHFFFAOYSA-N 0 3 331.376 2.171 20 5 EEBDHN NC(=O)CCN(Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178570017 232263356 /nfs/dbraw/zinc/26/33/56/232263356.db2.gz QPDLVXDQBXPIME-KRWDZBQOSA-N 0 3 343.383 2.006 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1CN1CCCC1 ZINC000181168865 234103426 /nfs/dbraw/zinc/10/34/26/234103426.db2.gz ZHNGUWIYYIEXBH-CYBMUJFWSA-N 0 3 347.371 2.024 20 5 EEBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130858682 223182165 /nfs/dbraw/zinc/18/21/65/223182165.db2.gz JRYNUYSSQMNYOF-CYBMUJFWSA-N 0 3 345.403 2.449 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422016490 240100788 /nfs/dbraw/zinc/10/07/88/240100788.db2.gz GTJMGOJMYFMFAE-MRXNPFEDSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C[C@@H]1CCCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245498539 243117243 /nfs/dbraw/zinc/11/72/43/243117243.db2.gz WKCFTJYIAIWKRG-BBRMVZONSA-N 0 3 333.388 2.059 20 5 EEBDHN C[C@H](N[C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611334 243176412 /nfs/dbraw/zinc/17/64/12/243176412.db2.gz PBEVJEMIQSUQRU-MZPVMMEZSA-N 0 3 347.415 2.309 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774481 245244449 /nfs/dbraw/zinc/24/44/49/245244449.db2.gz UGMZUNHPOMHPLI-KCPJHIHWSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000266398730 248281315 /nfs/dbraw/zinc/28/13/15/248281315.db2.gz PACNFFWVGKSSFK-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000266540499 248351992 /nfs/dbraw/zinc/35/19/92/248351992.db2.gz GUFZDRORXJYZPX-JKSUJKDBSA-N 0 3 334.351 2.128 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N(C)C ZINC000270736328 256166392 /nfs/dbraw/zinc/16/63/92/256166392.db2.gz KLAKHTMHMWFERE-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccnc1 ZINC000132364032 292399891 /nfs/dbraw/zinc/39/98/91/292399891.db2.gz SQFYIBJASDZXJB-UHFFFAOYSA-N 0 3 342.355 2.420 20 5 EEBDHN CSC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187898016 160111546 /nfs/dbraw/zinc/11/15/46/160111546.db2.gz XAWSTPBWPISHHE-ZDUSSCGKSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000237866061 160225882 /nfs/dbraw/zinc/22/58/82/160225882.db2.gz GFIIUBRUGIQZMS-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN CO[C@]1(C)C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852159 160958447 /nfs/dbraw/zinc/95/84/47/160958447.db2.gz PSDCCKXNSMSKFG-IIDMSEBBSA-N 0 3 347.415 2.493 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474667 161231264 /nfs/dbraw/zinc/23/12/64/161231264.db2.gz XPMCCNQELKKVOY-BQDHKBFISA-N 0 3 347.415 2.349 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344830256 161249270 /nfs/dbraw/zinc/24/92/70/161249270.db2.gz OBIBTTAYWZPZCK-UHFFFAOYSA-N 0 3 348.378 2.276 20 5 EEBDHN CCCN(CCN(C)C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000344866066 161252038 /nfs/dbraw/zinc/25/20/38/161252038.db2.gz OEYUZOBQKPQZHZ-UHFFFAOYSA-N 0 3 325.434 2.487 20 5 EEBDHN O=C1COc2ccc(CNCCc3cccc([N+](=O)[O-])c3)cc2N1 ZINC000352712739 162256098 /nfs/dbraw/zinc/25/60/98/162256098.db2.gz FQINLDUDDSVNFW-UHFFFAOYSA-N 0 3 327.340 2.258 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375468965 167141345 /nfs/dbraw/zinc/14/13/45/167141345.db2.gz GRPZYSSHXKHYQC-IAGOWNOFSA-N 0 3 349.431 2.336 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375757879 167186853 /nfs/dbraw/zinc/18/68/53/167186853.db2.gz MUXNWYIYRVOCII-ZBFHGGJFSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637988 269001983 /nfs/dbraw/zinc/00/19/83/269001983.db2.gz XYSSKIDHYFXKJF-HEHGZKQESA-N 0 3 332.404 2.391 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637990 269002142 /nfs/dbraw/zinc/00/21/42/269002142.db2.gz XYSSKIDHYFXKJF-XEZPLFJOSA-N 0 3 332.404 2.391 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272674317 269006734 /nfs/dbraw/zinc/00/67/34/269006734.db2.gz UKDWBHQHQZZZDM-XHDPSFHLSA-N 0 3 337.807 2.343 20 5 EEBDHN CN(C)C1(CN(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275440824 269116070 /nfs/dbraw/zinc/11/60/70/269116070.db2.gz KIKRJCIUSZLXHV-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000279094977 269261520 /nfs/dbraw/zinc/26/15/20/269261520.db2.gz GSQMYBIUULCQFQ-UHFFFAOYSA-N 0 3 343.786 2.482 20 5 EEBDHN CN(C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341405378 273815123 /nfs/dbraw/zinc/81/51/23/273815123.db2.gz PVXLKCHHKIIMPS-AWEZNQCLSA-N 0 3 342.399 2.279 20 5 EEBDHN O=C1c2ccccc2CCN1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000189050140 274036552 /nfs/dbraw/zinc/03/65/52/274036552.db2.gz ONHJDRUFRUFBOK-UHFFFAOYSA-N 0 3 325.368 2.383 20 5 EEBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000449320009 274254996 /nfs/dbraw/zinc/25/49/96/274254996.db2.gz HUIFZXQKAFDMOG-NWDGAFQWSA-N 0 3 326.418 2.081 20 5 EEBDHN CCc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278740101 274397615 /nfs/dbraw/zinc/39/76/15/274397615.db2.gz WPONWURWVYTZPM-CQSZACIVSA-N 0 3 349.431 2.388 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285044334 274670267 /nfs/dbraw/zinc/67/02/67/274670267.db2.gz IJRHPGSKRXTPLT-LLVKDONJSA-N 0 3 337.376 2.101 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C2CC2)CC1 ZINC000288104784 275024372 /nfs/dbraw/zinc/02/43/72/275024372.db2.gz AXHKILJXASKREB-UHFFFAOYSA-N 0 3 331.416 2.470 20 5 EEBDHN COCCN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289621378 275133356 /nfs/dbraw/zinc/13/33/56/275133356.db2.gz JVYCNAFFSBNBIU-JTQLQIEISA-N 0 3 342.783 2.090 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000269340773 276040541 /nfs/dbraw/zinc/04/05/41/276040541.db2.gz HPHJCOVIICRBGA-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000269340773 276040542 /nfs/dbraw/zinc/04/05/42/276040542.db2.gz HPHJCOVIICRBGA-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354955962 278366239 /nfs/dbraw/zinc/36/62/39/278366239.db2.gz YDJQZQQRRRKUBP-NSHDSACASA-N 0 3 344.371 2.015 20 5 EEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702417 279323314 /nfs/dbraw/zinc/32/33/14/279323314.db2.gz GOQYSHNTQBNZIW-FRRDWIJNSA-N 0 3 334.420 2.273 20 5 EEBDHN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376213711 279882046 /nfs/dbraw/zinc/88/20/46/279882046.db2.gz YVXUXDSUSMDBPM-DZGCQCFKSA-N 0 3 336.411 2.196 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCC(F)(F)F ZINC000293494676 293222458 /nfs/dbraw/zinc/22/24/58/293222458.db2.gz ZHKLONSRTUXQOB-GFCCVEGCSA-N 0 3 336.310 2.009 20 5 EEBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000293643570 293259643 /nfs/dbraw/zinc/25/96/43/293259643.db2.gz HQIARCYQXKOPRW-CQSZACIVSA-N 0 3 347.415 2.306 20 5 EEBDHN Cc1c(CC(=O)N2CC[C@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000294163136 293385958 /nfs/dbraw/zinc/38/59/58/293385958.db2.gz OBUUFKGIZGBSMT-GOSISDBHSA-N 0 3 331.416 2.390 20 5 EEBDHN CC[C@H](C)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000296005098 293868554 /nfs/dbraw/zinc/86/85/54/293868554.db2.gz NCVIHNQKTJIKMB-NSHDSACASA-N 0 3 331.376 2.164 20 5 EEBDHN CO[C@]1(C)C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036330 293876844 /nfs/dbraw/zinc/87/68/44/293876844.db2.gz FBIFNVCIUXELDF-RHSMWYFYSA-N 0 3 335.404 2.351 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301729359 294887969 /nfs/dbraw/zinc/88/79/69/294887969.db2.gz RPKPDKDGZNJXNY-CYBMUJFWSA-N 0 3 336.348 2.168 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411985569 312596107 /nfs/dbraw/zinc/59/61/07/312596107.db2.gz DSVHTGKSUKUUSR-CJNGLKHVSA-N 0 3 338.404 2.259 20 5 EEBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCNCC1 ZINC000414954563 313114471 /nfs/dbraw/zinc/11/44/71/313114471.db2.gz SSFXKXWKJJVDHB-UHFFFAOYSA-N 0 3 330.291 2.023 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000417715307 313575157 /nfs/dbraw/zinc/57/51/57/313575157.db2.gz JSSUMTNMRKSWKN-ZIAGYGMSSA-N 0 3 334.420 2.309 20 5 EEBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000420997333 314019208 /nfs/dbraw/zinc/01/92/08/314019208.db2.gz GYMKXYXQQSCDOY-GFCCVEGCSA-N 0 3 340.811 2.213 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000421705251 314145295 /nfs/dbraw/zinc/14/52/95/314145295.db2.gz QVHPXSDUMNUNTR-CQSZACIVSA-N 0 3 332.404 2.335 20 5 EEBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000439089176 315067021 /nfs/dbraw/zinc/06/70/21/315067021.db2.gz WELRVGBNBJAXBI-LBPRGKRZSA-N 0 3 343.387 2.273 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000516866461 316602998 /nfs/dbraw/zinc/60/29/98/316602998.db2.gz ZDSLBGUJUIZRDI-MRXNPFEDSA-N 0 3 340.383 2.253 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000539295489 318053616 /nfs/dbraw/zinc/05/36/16/318053616.db2.gz OPYDIZXDXAFJBA-DUVNUKRYSA-N 0 3 335.404 2.190 20 5 EEBDHN COCc1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559290424 318744380 /nfs/dbraw/zinc/74/43/80/318744380.db2.gz DATJAFYOMWQGQA-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN CCN1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560080493 318763411 /nfs/dbraw/zinc/76/34/11/318763411.db2.gz NANRHTRLPJDIBZ-UHFFFAOYSA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085394358 462544353 /nfs/dbraw/zinc/54/43/53/462544353.db2.gz DHBOUYMBRPSQQU-CJNGLKHVSA-N 0 3 334.420 2.119 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339126781 465098534 /nfs/dbraw/zinc/09/85/34/465098534.db2.gz HBKHRFKXGSBVFB-HNNXBMFYSA-N 0 3 336.392 2.169 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341544192 465224946 /nfs/dbraw/zinc/22/49/46/465224946.db2.gz HAWVPAXXTIXIHI-ZDUSSCGKSA-N 0 3 334.420 2.235 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088250743 462619842 /nfs/dbraw/zinc/61/98/42/462619842.db2.gz KMRFYBJBXMVBEU-UHFFFAOYSA-N 0 3 331.372 2.321 20 5 EEBDHN C[C@@]1(c2ccccc2)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743338 462755522 /nfs/dbraw/zinc/75/55/22/462755522.db2.gz ZAWLRJVNJPXCIU-ZWKOTPCHSA-N 0 3 344.415 2.206 20 5 EEBDHN CC[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072486 462800224 /nfs/dbraw/zinc/80/02/24/462800224.db2.gz RUMXVGRPRGUYNI-ZFWWWQNUSA-N 0 3 326.418 2.162 20 5 EEBDHN CCc1nn(C)c(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091736633 462900977 /nfs/dbraw/zinc/90/09/77/462900977.db2.gz QTFZHQVHGJNJIM-STQMWFEESA-N 0 3 339.440 2.192 20 5 EEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N(C)C ZINC000156216946 462994167 /nfs/dbraw/zinc/99/41/67/462994167.db2.gz DERDALQDRIVQBS-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN CN1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000068372818 463127807 /nfs/dbraw/zinc/12/78/07/463127807.db2.gz XWAPYDVVJDCGBD-UHFFFAOYSA-N 0 3 349.434 2.365 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123135024 463319809 /nfs/dbraw/zinc/31/98/09/463319809.db2.gz OWFWQOPKOSSMRR-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN C[C@@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169441 463488039 /nfs/dbraw/zinc/48/80/39/463488039.db2.gz ZBCZBYIZQWNGRS-NFFDBFGFSA-N 0 3 333.388 2.469 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178147522 463851978 /nfs/dbraw/zinc/85/19/78/463851978.db2.gz CTZRRNYEXJLRLO-HNNXBMFYSA-N 0 3 328.372 2.210 20 5 EEBDHN CCOc1cc(CN(CCOCCO)C(C)C)ccc1[N+](=O)[O-] ZINC000283620861 463947003 /nfs/dbraw/zinc/94/70/03/463947003.db2.gz ANMXYGALHUGKSG-UHFFFAOYSA-N 0 3 326.393 2.213 20 5 EEBDHN O=C1CCCN1[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270915633 464270536 /nfs/dbraw/zinc/27/05/36/464270536.db2.gz OLAXLPNPMMMKMW-OAHLLOKOSA-N 0 3 333.388 2.060 20 5 EEBDHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000271358249 464293617 /nfs/dbraw/zinc/29/36/17/464293617.db2.gz QOKDFPSHQGHLPM-WBMJQRKESA-N 0 3 330.388 2.198 20 5 EEBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000271939925 464421194 /nfs/dbraw/zinc/42/11/94/464421194.db2.gz WPTQKNWHQSQOJJ-UHFFFAOYSA-N 0 3 326.356 2.135 20 5 EEBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264776568 464461602 /nfs/dbraw/zinc/46/16/02/464461602.db2.gz PGMBKQJWIRIRFE-GFCCVEGCSA-N 0 3 337.424 2.257 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272498689 464633089 /nfs/dbraw/zinc/63/30/89/464633089.db2.gz NRLAFAVUILHAJP-SJKOYZFVSA-N 0 3 342.399 2.171 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCc3ccccc3)CC2)n1 ZINC000176200198 464719157 /nfs/dbraw/zinc/71/91/57/464719157.db2.gz YZTVTFXQHJUINN-UHFFFAOYSA-N 0 3 330.388 2.473 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000176242676 464729490 /nfs/dbraw/zinc/72/94/90/464729490.db2.gz VSRSNTVBWKHYQF-MRXNPFEDSA-N 0 3 330.388 2.163 20 5 EEBDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183346676 464852058 /nfs/dbraw/zinc/85/20/58/464852058.db2.gz JIVNRTLLMHRMAX-LLVKDONJSA-N 0 3 331.376 2.316 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000282898843 464992851 /nfs/dbraw/zinc/99/28/51/464992851.db2.gz TYZBTBDMCQMBFS-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN CN(C(=O)CN[C@](C)(CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348697246 465746328 /nfs/dbraw/zinc/74/63/28/465746328.db2.gz HXULPMPDHNJYKJ-GOSISDBHSA-N 0 3 349.431 2.479 20 5 EEBDHN COc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000357141647 465807524 /nfs/dbraw/zinc/80/75/24/465807524.db2.gz IGIOMFUJJGWUIM-ZDUSSCGKSA-N 0 3 333.388 2.350 20 5 EEBDHN CC(C)N1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362827222 466055821 /nfs/dbraw/zinc/05/58/21/466055821.db2.gz QDVVMGUVBQMDQM-UHFFFAOYSA-N 0 3 331.376 2.930 20 5 EEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCCN1CCN(C)CC1 ZINC000349315168 466062501 /nfs/dbraw/zinc/06/25/01/466062501.db2.gz KTADBOZNJZPYAQ-YVMONPNESA-N 0 3 332.448 2.177 20 5 EEBDHN COc1ccncc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402041 466067213 /nfs/dbraw/zinc/06/72/13/466067213.db2.gz BDYDPIQVXVIBOC-KBPBESRZSA-N 0 3 331.376 2.468 20 5 EEBDHN CC(C)(C)CCN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301959517 466068007 /nfs/dbraw/zinc/06/80/07/466068007.db2.gz HBZUKHONMHZGIV-UHFFFAOYSA-N 0 3 332.408 2.196 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422188 466077652 /nfs/dbraw/zinc/07/76/52/466077652.db2.gz UNRMNWZYLLCSKS-BJOHPYRUSA-N 0 3 339.342 2.014 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353862283 466209152 /nfs/dbraw/zinc/20/91/52/466209152.db2.gz BWOFTQKSJJOUKX-MBNYWOFBSA-N 0 3 326.418 2.081 20 5 EEBDHN O=[N+]([O-])c1cc2c(ncnc2NC2CCN([C@H]3CCOC3)CC2)s1 ZINC000367271251 466231765 /nfs/dbraw/zinc/23/17/65/466231765.db2.gz OIHYTDHOXVGPRP-NSHDSACASA-N 0 3 349.416 2.265 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338610920 466260229 /nfs/dbraw/zinc/26/02/29/466260229.db2.gz AGQZRWZVWCDFGU-UHFFFAOYSA-N 0 3 331.294 2.439 20 5 EEBDHN CO[C@]1(C)C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852165 466384195 /nfs/dbraw/zinc/38/41/95/466384195.db2.gz PSDCCKXNSMSKFG-RVKKMQEKSA-N 0 3 347.415 2.493 20 5 EEBDHN CC[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027433 466395399 /nfs/dbraw/zinc/39/53/99/466395399.db2.gz RLHQVZPDKSCICX-HIFRSBDPSA-N 0 3 341.433 2.060 20 5 EEBDHN CS(=O)(=O)c1cccc(N[C@@H]2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000322579910 466633368 /nfs/dbraw/zinc/63/33/68/466633368.db2.gz RPPBVTNWXBQQRV-VXGBXAGGSA-N 0 3 339.417 2.037 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000324810322 466650007 /nfs/dbraw/zinc/65/00/07/466650007.db2.gz SDSHWXKVDCSCOE-CQSZACIVSA-N 0 3 332.404 2.337 20 5 EEBDHN Cc1ccccc1CN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000363914160 466652147 /nfs/dbraw/zinc/65/21/47/466652147.db2.gz VCYXNFNUXVHPQG-UHFFFAOYSA-N 0 3 327.388 2.406 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000377954104 467170625 /nfs/dbraw/zinc/17/06/25/467170625.db2.gz NICSZXVPSDCPTL-WBVHZDCISA-N 0 3 330.388 2.379 20 5 EEBDHN CN1CCC[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413449398 467244981 /nfs/dbraw/zinc/24/49/81/467244981.db2.gz XLCUNUAWCCGYKY-SNVBAGLBSA-N 0 3 347.462 2.204 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018805 467291817 /nfs/dbraw/zinc/29/18/17/467291817.db2.gz IAMCSJWRNGYNKZ-JKIFEVAISA-N 0 3 346.431 2.195 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@H]3CCCC[N@@H+]3C3CC3)n2)cc1 ZINC000433810540 467354987 /nfs/dbraw/zinc/35/49/87/467354987.db2.gz KTZHBTSVDGAHJF-OAHLLOKOSA-N 0 3 343.387 3.074 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@H]3CCCC[N@H+]3C3CC3)n2)cc1 ZINC000433810540 467354991 /nfs/dbraw/zinc/35/49/91/467354991.db2.gz KTZHBTSVDGAHJF-OAHLLOKOSA-N 0 3 343.387 3.074 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3CCCCN3C3CC3)n2)cc1 ZINC000433810540 467354994 /nfs/dbraw/zinc/35/49/94/467354994.db2.gz KTZHBTSVDGAHJF-OAHLLOKOSA-N 0 3 343.387 3.074 20 5 EEBDHN CNc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000434418924 467397256 /nfs/dbraw/zinc/39/72/56/467397256.db2.gz GXHYASLXZMDMOV-ZDUSSCGKSA-N 0 3 332.404 2.383 20 5 EEBDHN Cn1cc(CN2CCCN(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435250866 467455106 /nfs/dbraw/zinc/45/51/06/467455106.db2.gz VAZFMBVJVFTOGZ-UHFFFAOYSA-N 0 3 329.404 2.133 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000453010457 467455792 /nfs/dbraw/zinc/45/57/92/467455792.db2.gz PVSHFGXKINBEED-RNCFNFMXSA-N 0 3 343.305 2.390 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)c(F)c1 ZINC000594616436 468637861 /nfs/dbraw/zinc/63/78/61/468637861.db2.gz BTSZVVOEVPDPSS-HNNXBMFYSA-N 0 3 337.395 2.421 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597921948 468711934 /nfs/dbraw/zinc/71/19/34/468711934.db2.gz IGCUPGMLFLOXLT-JTQLQIEISA-N 0 3 339.367 2.345 20 5 EEBDHN CC(C)(C)n1nnc(CCNC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000595508497 468881870 /nfs/dbraw/zinc/88/18/70/468881870.db2.gz AWTQQKGUVNUSST-UHFFFAOYSA-N 0 3 332.408 2.404 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1 ZINC000598575766 468920511 /nfs/dbraw/zinc/92/05/11/468920511.db2.gz XEMLDMMWHSMXJT-GFCCVEGCSA-N 0 3 343.330 2.266 20 5 EEBDHN COC(=O)c1cc(C)nc(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593517229 469011785 /nfs/dbraw/zinc/01/17/85/469011785.db2.gz QZEPPVOAJUCTBM-UHFFFAOYSA-N 0 3 336.392 2.007 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNC[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000602731746 469038425 /nfs/dbraw/zinc/03/84/25/469038425.db2.gz AYWYFHPUUQAFPV-LBPRGKRZSA-N 0 3 329.282 2.122 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610720676 469049153 /nfs/dbraw/zinc/04/91/53/469049153.db2.gz PBFIOTSGFNZYED-OAHLLOKOSA-N 0 3 334.420 2.311 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000610719161 469049445 /nfs/dbraw/zinc/04/94/45/469049445.db2.gz DGQKIFBYSUESFV-AWEZNQCLSA-N 0 3 349.435 2.180 20 5 EEBDHN COC(=O)[C@@H](C)[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794311 469079266 /nfs/dbraw/zinc/07/92/66/469079266.db2.gz VIQHTVBGUBCCJP-BLLLJJGKSA-N 0 3 346.387 2.240 20 5 EEBDHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000599072992 469107902 /nfs/dbraw/zinc/10/79/02/469107902.db2.gz NMTRTCZFMYZKOB-KCPJHIHWSA-N 0 3 341.433 2.106 20 5 EEBDHN Nc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1[N+](=O)[O-] ZINC000596054369 469130798 /nfs/dbraw/zinc/13/07/98/469130798.db2.gz RTBIZXZLZRJWJV-HNNXBMFYSA-N 0 3 327.388 2.821 20 5 EEBDHN O=c1[nH]ccc(NC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596080184 469144633 /nfs/dbraw/zinc/14/46/33/469144633.db2.gz ATFVXKLDCLHVHB-UHFFFAOYSA-N 0 3 329.360 2.167 20 5 EEBDHN O=C(c1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596087088 469149365 /nfs/dbraw/zinc/14/93/65/469149365.db2.gz DHIRYSCHCZFOFY-CQSZACIVSA-N 0 3 344.415 2.479 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](O)Cc1ccccc1)OCCO2 ZINC000588928027 469180564 /nfs/dbraw/zinc/18/05/64/469180564.db2.gz ZDIIQKHATGHCKN-OAHLLOKOSA-N 0 3 344.367 2.059 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000602950520 469186318 /nfs/dbraw/zinc/18/63/18/469186318.db2.gz FQENYEUYVXBFEX-UHFFFAOYSA-N 0 3 347.419 2.202 20 5 EEBDHN CCN(C[C@@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205149 469191636 /nfs/dbraw/zinc/19/16/36/469191636.db2.gz JPINBAUHFJIUMO-XJKSGUPXSA-N 0 3 333.388 2.059 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336705 469246482 /nfs/dbraw/zinc/24/64/82/469246482.db2.gz RSONGVLDBOZOJG-NSHDSACASA-N 0 3 336.392 2.451 20 5 EEBDHN CN(C)CCOC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705623 469306693 /nfs/dbraw/zinc/30/66/93/469306693.db2.gz HHFJUNGFRPHAGR-UHFFFAOYSA-N 0 3 345.403 2.085 20 5 EEBDHN CN(C)[C@@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000602563960 469362814 /nfs/dbraw/zinc/36/28/14/469362814.db2.gz JMRHENBXVCTBHO-OAHLLOKOSA-N 0 3 336.417 2.263 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594204037 485602832 /nfs/dbraw/zinc/60/28/32/485602832.db2.gz WMXKGKQVJHIPQQ-CABCVRRESA-N 0 3 333.388 2.350 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](C(C)C)N2CCCC2)c1[N+](=O)[O-] ZINC000598585888 485620053 /nfs/dbraw/zinc/62/00/53/485620053.db2.gz BDEIVWORHHKISG-CYBMUJFWSA-N 0 3 336.392 2.309 20 5 EEBDHN CC(C)N(Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266648253 535096758 /nfs/dbraw/zinc/09/67/58/535096758.db2.gz XYGUCOYVJVQJPK-INIZCTEOSA-N 0 3 336.367 2.202 20 5 EEBDHN COc1ccc(CNCCNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000730107174 576716119 /nfs/dbraw/zinc/71/61/19/576716119.db2.gz ZYWSZJRGULLLFL-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000733168764 577206480 /nfs/dbraw/zinc/20/64/80/577206480.db2.gz WVJBBFOPXWBKKW-OAHLLOKOSA-N 0 3 334.420 2.485 20 5 EEBDHN CCCNC(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592736 577463776 /nfs/dbraw/zinc/46/37/76/577463776.db2.gz YIDZAGBLJUCGNF-INIZCTEOSA-N 0 3 349.431 2.447 20 5 EEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707781 683042783 /nfs/dbraw/zinc/04/27/83/683042783.db2.gz PFJQBTMTGAZXJA-BFHYXJOUSA-N 0 3 336.388 2.434 20 5 EEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707781 683042789 /nfs/dbraw/zinc/04/27/89/683042789.db2.gz PFJQBTMTGAZXJA-BFHYXJOUSA-N 0 3 336.388 2.434 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCS(=O)(=O)C1 ZINC000872019121 1198026683 /nfs/dbraw/zinc/02/66/83/1198026683.db2.gz SXNUPNQSTMYBCN-GHMZBOCLSA-N 0 3 344.458 2.402 20 5 EEBDHN Cc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000873192454 1198525680 /nfs/dbraw/zinc/52/56/80/1198525680.db2.gz BTRCWYONKXPWLL-HZPDHXFCSA-N 0 3 336.413 2.457 20 5 EEBDHN CCn1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001132728191 1199958309 /nfs/dbraw/zinc/95/83/09/1199958309.db2.gz LUDNRBOVWZVTNF-UHFFFAOYSA-N 0 3 330.388 2.244 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1nc(Cl)cs1 ZINC001132873120 1200136572 /nfs/dbraw/zinc/13/65/72/1200136572.db2.gz XWEFGYCCPIZVNR-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CC1 ZINC001132969250 1200237642 /nfs/dbraw/zinc/23/76/42/1200237642.db2.gz VEPBHPRJYIEPQW-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109059 1201119016 /nfs/dbraw/zinc/11/90/16/1201119016.db2.gz DRHLEQBIYAHXIP-VIFPVBQESA-N 0 3 344.345 2.155 20 5 EEBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N+](=O)[O-] ZINC000813112046 1201123730 /nfs/dbraw/zinc/12/37/30/1201123730.db2.gz YSRJXVAXZOMPAF-NSHDSACASA-N 0 3 337.332 2.407 20 5 EEBDHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000866213737 1201467782 /nfs/dbraw/zinc/46/77/82/1201467782.db2.gz XCIWUDUQDWQJNZ-UHFFFAOYSA-N 0 3 336.411 2.259 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095566795 1205876821 /nfs/dbraw/zinc/87/68/21/1205876821.db2.gz AAAXTRNYHZKERP-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN C[C@H]1CC2(CN1CC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000930762749 1206580842 /nfs/dbraw/zinc/58/08/42/1206580842.db2.gz JYLDIHXMORJEAG-ZDUSSCGKSA-N 0 3 327.425 2.375 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934439791 1207964217 /nfs/dbraw/zinc/96/42/17/1207964217.db2.gz ZFFSHMKFTDAACG-BHIYHBOVSA-N 0 3 342.395 2.164 20 5 EEBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000080791728 1211042878 /nfs/dbraw/zinc/04/28/78/1211042878.db2.gz VRYHAZMNMFXIHY-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000080791728 1211042880 /nfs/dbraw/zinc/04/28/80/1211042880.db2.gz VRYHAZMNMFXIHY-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN CC[C@H](CN1CCOCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341985 1240274663 /nfs/dbraw/zinc/27/46/63/1240274663.db2.gz ABVHYUVQEGJHCO-ZIAGYGMSSA-N 0 3 337.420 2.365 20 5 EEBDHN Cc1cc(N[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001097037268 1243603462 /nfs/dbraw/zinc/60/34/62/1243603462.db2.gz KTRDCQCWAOKLPN-SHTZXODSSA-N 0 3 334.420 2.303 20 5 EEBDHN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN1CCC(C)(C)C1 ZINC001101954590 1246268393 /nfs/dbraw/zinc/26/83/93/1246268393.db2.gz RQYIRAOKIDMEBD-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1F ZINC000826868819 1248099542 /nfs/dbraw/zinc/09/95/42/1248099542.db2.gz XBTHBLOFCCKCIF-LLVKDONJSA-N 0 3 339.342 2.396 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1F ZINC000826868821 1248099577 /nfs/dbraw/zinc/09/95/77/1248099577.db2.gz XBTHBLOFCCKCIF-NSHDSACASA-N 0 3 339.342 2.396 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)c1 ZINC001218110743 1297576964 /nfs/dbraw/zinc/57/69/64/1297576964.db2.gz MGWULAPGVDZSGT-QZTJIDSGSA-N 0 3 325.368 2.297 20 5 EEBDHN COc1c([O-])cc(O[C@H]2CC[NH2+]C2)c2c(=O)c3ccccc3n(C)c12 ZINC001218183835 1297593898 /nfs/dbraw/zinc/59/38/98/1297593898.db2.gz UQNMRXFOIQCPBN-NSHDSACASA-N 0 3 340.379 2.147 20 5 EEBDHN CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001102017294 1300147434 /nfs/dbraw/zinc/14/74/34/1300147434.db2.gz PYAGHZIPUSXFIQ-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN COCCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001149084090 1308980658 /nfs/dbraw/zinc/98/06/58/1308980658.db2.gz WLDIZWPVCNVNND-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CC(C)(CO)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109628 1315845005 /nfs/dbraw/zinc/84/50/05/1315845005.db2.gz WJSHMIKLUCIEDR-SJORKVTESA-N 0 3 345.399 2.373 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC001254474088 1318082679 /nfs/dbraw/zinc/08/26/79/1318082679.db2.gz LNJZWPXUKZZGQM-SFHVURJKSA-N 0 3 347.415 2.055 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2CCOC2=O)CC1 ZINC001254560404 1318120989 /nfs/dbraw/zinc/12/09/89/1318120989.db2.gz RUNCLNREODCLKZ-CYBMUJFWSA-N 0 3 333.388 2.442 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cnccn2)C1 ZINC001254570119 1318124188 /nfs/dbraw/zinc/12/41/88/1318124188.db2.gz MYINMTSYFYFDSW-HIFRSBDPSA-N 0 3 328.372 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001254610140 1318144334 /nfs/dbraw/zinc/14/43/34/1318144334.db2.gz IMINULFOWBGNBM-DLBZAZTESA-N 0 3 340.383 2.395 20 5 EEBDHN COC1(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001157160500 1318448926 /nfs/dbraw/zinc/44/89/26/1318448926.db2.gz JTCMZGAQAPXYTJ-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN COCCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001159573029 1319897556 /nfs/dbraw/zinc/89/75/56/1319897556.db2.gz PRMJTUQZEBVNHQ-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN Cc1nc(Cl)nc(-n2nc(-c3ccncc3)cc2CN)c1[N+](=O)[O-] ZINC001160337748 1320138106 /nfs/dbraw/zinc/13/81/06/1320138106.db2.gz KIGVQQHONDTSLE-UHFFFAOYSA-N 0 3 345.750 2.053 20 5 EEBDHN COc1nc(-n2c3ccccc3nc2[C@@H](C)N)nc(C)c1[N+](=O)[O-] ZINC001162759340 1320951791 /nfs/dbraw/zinc/95/17/91/1320951791.db2.gz QTTADVHJBDZZCR-MRVPVSSYSA-N 0 3 328.332 2.060 20 5 EEBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCCC[C@@]23CNCCO3)s1 ZINC001163644950 1321179561 /nfs/dbraw/zinc/17/95/61/1321179561.db2.gz OOTTWLUCMBVIAN-XHDPSFHLSA-N 0 3 349.416 2.313 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN(CCCCO)CC3)ccnc21 ZINC001261233367 1322048338 /nfs/dbraw/zinc/04/83/38/1322048338.db2.gz PHKLAUCPYMQNHF-UHFFFAOYSA-N 0 3 330.388 2.038 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001321004329 1332996360 /nfs/dbraw/zinc/99/63/60/1332996360.db2.gz JVAYILYYTFWXLS-OAHLLOKOSA-N 0 3 334.420 2.487 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409283 1351964749 /nfs/dbraw/zinc/96/47/49/1351964749.db2.gz FZKOJXOAVXXQFN-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409283 1351964751 /nfs/dbraw/zinc/96/47/51/1351964751.db2.gz FZKOJXOAVXXQFN-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409283 1351964756 /nfs/dbraw/zinc/96/47/56/1351964756.db2.gz FZKOJXOAVXXQFN-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409283 1351964759 /nfs/dbraw/zinc/96/47/59/1351964759.db2.gz FZKOJXOAVXXQFN-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001332994187 1335944220 /nfs/dbraw/zinc/94/42/20/1335944220.db2.gz OWIQOBRDYXJEBC-CQSZACIVSA-N 0 3 340.383 2.081 20 5 EEBDHN CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590410527 1349311191 /nfs/dbraw/zinc/31/11/91/1349311191.db2.gz QUXXDSMSVDQXES-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590410527 1349311193 /nfs/dbraw/zinc/31/11/93/1349311193.db2.gz QUXXDSMSVDQXES-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590410527 1349311198 /nfs/dbraw/zinc/31/11/98/1349311198.db2.gz QUXXDSMSVDQXES-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590410527 1349311205 /nfs/dbraw/zinc/31/12/05/1349311205.db2.gz QUXXDSMSVDQXES-LLVKDONJSA-N 0 3 333.396 2.226 20 5 EEBDHN CC[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445492 1349327362 /nfs/dbraw/zinc/32/73/62/1349327362.db2.gz BRUILMRCPLSYTQ-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445492 1349327368 /nfs/dbraw/zinc/32/73/68/1349327368.db2.gz BRUILMRCPLSYTQ-LLVKDONJSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078532 1350636142 /nfs/dbraw/zinc/63/61/42/1350636142.db2.gz ZNGYEDDDPMZCOA-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078532 1350636147 /nfs/dbraw/zinc/63/61/47/1350636147.db2.gz ZNGYEDDDPMZCOA-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078532 1350636149 /nfs/dbraw/zinc/63/61/49/1350636149.db2.gz ZNGYEDDDPMZCOA-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078532 1350636153 /nfs/dbraw/zinc/63/61/53/1350636153.db2.gz ZNGYEDDDPMZCOA-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104397020 760148893 /nfs/dbraw/zinc/14/88/93/760148893.db2.gz TZBCAAHBEHMGQK-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN COc1c(C)cnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000818989141 785354382 /nfs/dbraw/zinc/35/43/82/785354382.db2.gz ZHLDQJATZHZMKZ-INIZCTEOSA-N 0 3 331.372 2.438 20 5 EEBDHN O=c1[nH]c2c(cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000819062382 785407893 /nfs/dbraw/zinc/40/78/93/785407893.db2.gz YMUREQGWSQYJGD-INIZCTEOSA-N 0 3 329.356 2.007 20 5 EEBDHN O=C1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173263 785447668 /nfs/dbraw/zinc/44/76/68/785447668.db2.gz LMWCUQAGIKIKHD-PBHICJAKSA-N 0 3 347.415 2.151 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107232570 786546241 /nfs/dbraw/zinc/54/62/41/786546241.db2.gz CASXANYLHZUPQI-PLNGDYQASA-N 0 3 338.383 2.158 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457111 789113794 /nfs/dbraw/zinc/11/37/94/789113794.db2.gz VPEDQZAGOHGOSG-TXEJJXNPSA-N 0 3 325.315 2.429 20 5 EEBDHN CN(C)c1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001148948889 792803140 /nfs/dbraw/zinc/80/31/40/792803140.db2.gz SNCARJWXPPFROB-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2COC(C)(C)OC2)c1F ZINC001173188967 797281266 /nfs/dbraw/zinc/28/12/66/797281266.db2.gz MOWGJKSMMSGYBV-JTQLQIEISA-N 0 3 342.367 2.415 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000916967666 798003444 /nfs/dbraw/zinc/00/34/44/798003444.db2.gz UJSISICWUXFHTI-CABCVRRESA-N 0 3 338.310 2.230 20 5 EEBDHN CCc1onc(C)c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175777686 798230650 /nfs/dbraw/zinc/23/06/50/798230650.db2.gz VIAFUYYWQKPFJS-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3nccc4occc43)CC2)C1 ZINC001169038351 803582053 /nfs/dbraw/zinc/58/20/53/803582053.db2.gz YHGBGVAUJOIEQR-KGLIPLIRSA-N 0 3 330.388 2.395 20 5 EEBDHN COc1ccc(CN2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022456 803589066 /nfs/dbraw/zinc/58/90/66/803589066.db2.gz BSEJHXABJPSRLJ-IAGOWNOFSA-N 0 3 333.432 2.258 20 5 EEBDHN CCOC(=O)c1cccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001169874656 804174308 /nfs/dbraw/zinc/17/43/08/804174308.db2.gz BMXAHLWQQVVWGI-UHFFFAOYSA-N 0 3 342.355 2.382 20 5 EEBDHN O=C(COCC1CCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129704148 810963522 /nfs/dbraw/zinc/96/35/22/810963522.db2.gz AKJMWHKDYPTZDT-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])cc1Br ZINC001170573854 813020603 /nfs/dbraw/zinc/02/06/03/813020603.db2.gz LDNRPJHEEICGKS-TVQRCGJNSA-N 0 3 344.209 2.455 20 5 EEBDHN C[C@@H]1NC[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC001522826945 1119513913 /nfs/dbraw/zinc/51/39/13/1119513913.db2.gz NSTGUUVFNLKIIV-DCAQKATOSA-N 0 3 325.796 2.388 20 5 EEBDHN CN(CCN(C)C1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186784954 529903040 /nfs/dbraw/zinc/90/30/40/529903040.db2.gz BYHVAWLTQIUVSP-UHFFFAOYSA-N 0 3 331.376 2.171 20 5 EEBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C)CC1 ZINC000067271104 215129827 /nfs/dbraw/zinc/12/98/27/215129827.db2.gz QTBWQLZXALTSCV-GFCCVEGCSA-N 0 3 345.403 2.321 20 5 EEBDHN C[C@H]1SCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000181895215 234371645 /nfs/dbraw/zinc/37/16/45/234371645.db2.gz RPPGQIFDFAEPST-XQQFMLRXSA-N 0 3 326.418 2.160 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752884 291158182 /nfs/dbraw/zinc/15/81/82/291158182.db2.gz YPCBXIFATSSGSG-SDDRHHMPSA-N 0 3 335.433 2.471 20 5 EEBDHN CCOC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072977435 216337065 /nfs/dbraw/zinc/33/70/65/216337065.db2.gz KTRSJOJTOXETPT-ZBFHGGJFSA-N 0 3 338.404 2.083 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421713487 240021806 /nfs/dbraw/zinc/02/18/06/240021806.db2.gz STHUUXFCBZIITN-AWEZNQCLSA-N 0 3 330.388 2.171 20 5 EEBDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000428244535 241554241 /nfs/dbraw/zinc/55/42/41/241554241.db2.gz ZCJYBMZNNOMGJK-AWEZNQCLSA-N 0 3 334.420 2.338 20 5 EEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC[C@H]1CCCO1 ZINC000236796766 242359423 /nfs/dbraw/zinc/35/94/23/242359423.db2.gz KZVHBHLPVKNAKP-MRXNPFEDSA-N 0 3 335.404 2.100 20 5 EEBDHN CC[C@@H]1CN(CC)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451729078 243231053 /nfs/dbraw/zinc/23/10/53/243231053.db2.gz IXCGEPRJCFKSTQ-CQSZACIVSA-N 0 3 337.420 2.398 20 5 EEBDHN C[C@H]1NCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000262735388 245153509 /nfs/dbraw/zinc/15/35/09/245153509.db2.gz CKUDBCWLJHEJKF-GHMZBOCLSA-N 0 3 341.795 2.226 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C)CC1 ZINC000264954852 247083739 /nfs/dbraw/zinc/08/37/39/247083739.db2.gz WDICNYLPHKWQEK-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CC(COC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)[N+](=O)[O-] ZINC000496192185 247372512 /nfs/dbraw/zinc/37/25/12/247372512.db2.gz BPMYOVZURUNSSX-NSHDSACASA-N 0 3 330.381 2.280 20 5 EEBDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519640 248342032 /nfs/dbraw/zinc/34/20/32/248342032.db2.gz COCJKZXDCSQYFY-IRXDYDNUSA-N 0 3 330.388 2.298 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927638 224033008 /nfs/dbraw/zinc/03/30/08/224033008.db2.gz SAUJMFOBZSJTGO-KBPBESRZSA-N 0 3 337.420 2.365 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000377658938 285168423 /nfs/dbraw/zinc/16/84/23/285168423.db2.gz LCYYVYLZBJXPEJ-QGZVFWFLSA-N 0 3 328.372 2.261 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000273517942 256303117 /nfs/dbraw/zinc/30/31/17/256303117.db2.gz XYYPLLYZVQFKIN-CQSZACIVSA-N 0 3 342.396 2.293 20 5 EEBDHN CN1CC=C(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000273716127 256321019 /nfs/dbraw/zinc/32/10/19/256321019.db2.gz GACSMRGIERPMIP-UHFFFAOYSA-N 0 3 330.388 2.161 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000273489229 256300617 /nfs/dbraw/zinc/30/06/17/256300617.db2.gz KJNISLCSKBLKPS-JKSUJKDBSA-N 0 3 349.456 2.176 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274567541 256377136 /nfs/dbraw/zinc/37/71/36/256377136.db2.gz LMJACRGHYOBJGI-UHFFFAOYSA-N 0 3 330.388 2.102 20 5 EEBDHN CC(C)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834133 159749535 /nfs/dbraw/zinc/74/95/35/159749535.db2.gz OSRWGRXPOUCADN-XJKSGUPXSA-N 0 3 335.404 2.129 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000247448049 160325099 /nfs/dbraw/zinc/32/50/99/160325099.db2.gz YQSUSAQGHMBYIF-NHYWBVRUSA-N 0 3 343.387 2.027 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@]3(O)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000339056271 160824696 /nfs/dbraw/zinc/82/46/96/160824696.db2.gz YQCHJFHKNVBHHG-QGZVFWFLSA-N 0 3 348.355 2.104 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000343759498 161165708 /nfs/dbraw/zinc/16/57/08/161165708.db2.gz CNNBKHQXXPEBLJ-NWDGAFQWSA-N 0 3 333.388 2.349 20 5 EEBDHN C[C@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000344233930 161209741 /nfs/dbraw/zinc/20/97/41/161209741.db2.gz CXONQUVLIWAMLF-BLLLJJGKSA-N 0 3 332.404 2.145 20 5 EEBDHN O=C(NCCN1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360260332 164270919 /nfs/dbraw/zinc/27/09/19/164270919.db2.gz FOWHIJBENFFMCD-UHFFFAOYSA-N 0 3 331.294 2.439 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000360868441 164393425 /nfs/dbraw/zinc/39/34/25/164393425.db2.gz AXNYAYMDPPNVHQ-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EEBDHN Cc1c([C@H](C)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000246067358 292599319 /nfs/dbraw/zinc/59/93/19/292599319.db2.gz SCBPQDIEIJIVMK-XEZPLFJOSA-N 0 3 335.404 2.190 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637989 269002207 /nfs/dbraw/zinc/00/22/07/269002207.db2.gz XYSSKIDHYFXKJF-WOSRLPQWSA-N 0 3 332.404 2.391 20 5 EEBDHN CN(CCN(C)C1CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000274411361 269031691 /nfs/dbraw/zinc/03/16/91/269031691.db2.gz AFOZELYMYFKBQQ-UHFFFAOYSA-N 0 3 329.198 2.283 20 5 EEBDHN CO[C@H](C)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805801 269055247 /nfs/dbraw/zinc/05/52/47/269055247.db2.gz GPMNZPPUTBSQTR-GFCCVEGCSA-N 0 3 333.392 2.018 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277221636 269143869 /nfs/dbraw/zinc/14/38/69/269143869.db2.gz RWHYVHMDPCNBOU-HNNXBMFYSA-N 0 3 345.403 2.031 20 5 EEBDHN Nc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc(F)cc1[N+](=O)[O-] ZINC000277392086 269152783 /nfs/dbraw/zinc/15/27/83/269152783.db2.gz ARKMOJCTQDJQGV-LBPRGKRZSA-N 0 3 336.367 2.063 20 5 EEBDHN O=CN1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279584642 269290799 /nfs/dbraw/zinc/29/07/99/269290799.db2.gz UXNFOEHISQKHBA-UHFFFAOYSA-N 0 3 331.294 2.324 20 5 EEBDHN O=c1[nH]c(N2CCN(C3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280675055 269384610 /nfs/dbraw/zinc/38/46/10/269384610.db2.gz CZWRQZZVONZZHC-UHFFFAOYSA-N 0 3 343.387 2.308 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269435526 274112948 /nfs/dbraw/zinc/11/29/48/274112948.db2.gz OJCOCJBHSRXHRA-UHFFFAOYSA-N 0 3 345.403 2.303 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277548768 274307744 /nfs/dbraw/zinc/30/77/44/274307744.db2.gz NZOGMPCNZPGSMS-AWEZNQCLSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099038 274678103 /nfs/dbraw/zinc/67/81/03/274678103.db2.gz KFUAHHDFXMNVER-JSGCOSHPSA-N 0 3 344.419 2.230 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287205736 274944595 /nfs/dbraw/zinc/94/45/95/274944595.db2.gz POKMXMPPGXMQIZ-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN CCc1nn(C)c(NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000288091579 275022906 /nfs/dbraw/zinc/02/29/06/275022906.db2.gz IWTHTEGRYZBURO-UHFFFAOYSA-N 0 3 347.419 2.443 20 5 EEBDHN CS(=O)(=O)CC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193013880 278104627 /nfs/dbraw/zinc/10/46/27/278104627.db2.gz CKZOKIJGJYGVTP-HNNXBMFYSA-N 0 3 338.429 2.387 20 5 EEBDHN Cc1cc(OCC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281557430 292767358 /nfs/dbraw/zinc/76/73/58/292767358.db2.gz YCHUMOFUXIVWAJ-OAHLLOKOSA-N 0 3 347.415 2.369 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000293781095 293294063 /nfs/dbraw/zinc/29/40/63/293294063.db2.gz BWOFTQKSJJOUKX-DYEKYZERSA-N 0 3 326.418 2.081 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294122051 293374961 /nfs/dbraw/zinc/37/49/61/293374961.db2.gz LUGPAHPMYOGRNR-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN Cc1nc(NCc2ccc(OCCN(C)C)cc2)ncc1[N+](=O)[O-] ZINC000295630832 293774392 /nfs/dbraw/zinc/77/43/92/293774392.db2.gz XIQGAGAFWIJKSH-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN COC(=O)Cc1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448682 294246997 /nfs/dbraw/zinc/24/69/97/294246997.db2.gz JFPQONIUENUFNQ-WCQYABFASA-N 0 3 333.388 2.347 20 5 EEBDHN Cc1nc(N(CCN(C)C)Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000297509493 294264991 /nfs/dbraw/zinc/26/49/91/294264991.db2.gz NRESQPHZCXQHQK-UHFFFAOYSA-N 0 3 333.367 2.401 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000297523153 294268855 /nfs/dbraw/zinc/26/88/55/294268855.db2.gz BKWDGZHYIQHDES-GWCFXTLKSA-N 0 3 339.367 2.155 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332336554 311991775 /nfs/dbraw/zinc/99/17/75/311991775.db2.gz NZSRLFYWICGIEE-ZDUSSCGKSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCc1ccco1 ZINC000449225835 315435559 /nfs/dbraw/zinc/43/55/59/315435559.db2.gz PIERYZUPTKLEJG-OLZOCXBDSA-N 0 3 331.372 2.413 20 5 EEBDHN COC(=O)NCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496756764 316246635 /nfs/dbraw/zinc/24/66/35/316246635.db2.gz UDPBROKSPJIPTI-IINYFYTJSA-N 0 3 342.323 2.211 20 5 EEBDHN CC(C)[C@]1(C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860853 319119287 /nfs/dbraw/zinc/11/92/87/319119287.db2.gz WEIORJNVQAUDDB-GJZGRUSLSA-N 0 3 326.418 2.393 20 5 EEBDHN COc1ccc(CN2CCC(N3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000565172530 319156884 /nfs/dbraw/zinc/15/68/84/319156884.db2.gz OTTNEUBDGCKXAN-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000573874192 319974018 /nfs/dbraw/zinc/97/40/18/319974018.db2.gz HCRIAUBBQFHKMW-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN NC(=O)C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000181920692 323359772 /nfs/dbraw/zinc/35/97/72/323359772.db2.gz HSXHMRFKTBZMLG-CYBMUJFWSA-N 0 3 341.795 2.008 20 5 EEBDHN CC(F)(F)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578996227 323753582 /nfs/dbraw/zinc/75/35/82/323753582.db2.gz IOPLLTVRQFFWEJ-CQSZACIVSA-N 0 3 340.330 2.054 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296289169 465145508 /nfs/dbraw/zinc/14/55/08/465145508.db2.gz OZVWWIHENMEEQH-DAXOMENPSA-N 0 3 333.388 2.245 20 5 EEBDHN Cc1ccccc1OC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000579103973 468309599 /nfs/dbraw/zinc/30/95/99/468309599.db2.gz YHPCQKAIXJMYBV-MRXNPFEDSA-N 0 3 346.383 2.312 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000007365405 462732877 /nfs/dbraw/zinc/73/28/77/462732877.db2.gz BRGRFAHKANSOOD-UHFFFAOYSA-N 0 3 329.316 2.225 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Cc2ccccc2)C1 ZINC000090550545 462797364 /nfs/dbraw/zinc/79/73/64/462797364.db2.gz KOIUSUAVYSWEBW-INIZCTEOSA-N 0 3 327.384 2.321 20 5 EEBDHN NC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129697 462941761 /nfs/dbraw/zinc/94/17/61/462941761.db2.gz RQPBJQONARUZEB-HNNXBMFYSA-N 0 3 340.383 2.380 20 5 EEBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC000068424547 463134727 /nfs/dbraw/zinc/13/47/27/463134727.db2.gz CWYSDXUFZQQFKP-ZDUSSCGKSA-N 0 3 330.388 2.150 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069802589 463327584 /nfs/dbraw/zinc/32/75/84/463327584.db2.gz VIEJPWCUKMRJFT-INIZCTEOSA-N 0 3 349.431 2.018 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000032731254 463390131 /nfs/dbraw/zinc/39/01/31/463390131.db2.gz QGZPIXDSIWGBSZ-KGLIPLIRSA-N 0 3 335.404 2.353 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124636356 463446175 /nfs/dbraw/zinc/44/61/75/463446175.db2.gz XYLNIRPGZGOUFJ-AWEZNQCLSA-N 0 3 330.388 2.219 20 5 EEBDHN C[C@@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169341 463487760 /nfs/dbraw/zinc/48/77/60/463487760.db2.gz ZBCZBYIZQWNGRS-BRXULGCHSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCCN(C)C)CC1 ZINC000072597163 463524242 /nfs/dbraw/zinc/52/42/42/463524242.db2.gz IMCZRDMUULOULZ-CQSZACIVSA-N 0 3 348.447 2.046 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000163482779 463592077 /nfs/dbraw/zinc/59/20/77/463592077.db2.gz QDCORZUUEMMBMK-UHFFFAOYSA-N 0 3 349.435 2.057 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108330467 463597543 /nfs/dbraw/zinc/59/75/43/463597543.db2.gz GJVTWEWNJSXRSQ-AWEZNQCLSA-N 0 3 346.431 2.267 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000292512094 464258020 /nfs/dbraw/zinc/25/80/20/464258020.db2.gz YDLLYZBIVUVOFY-AWEZNQCLSA-N 0 3 331.416 2.470 20 5 EEBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264506637 464353175 /nfs/dbraw/zinc/35/31/75/464353175.db2.gz LADKIWHMKAUDAJ-GFCCVEGCSA-N 0 3 336.367 2.017 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386588 464436110 /nfs/dbraw/zinc/43/61/10/464436110.db2.gz MYRIBOOSUOLBLQ-CHWSQXEVSA-N 0 3 333.388 2.023 20 5 EEBDHN COc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285709349 464666996 /nfs/dbraw/zinc/66/69/96/464666996.db2.gz HWCBGFAVEPYLEB-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621813 464695636 /nfs/dbraw/zinc/69/56/36/464695636.db2.gz DJMSVMFYYVQMMT-FZMZJTMJSA-N 0 3 330.344 2.249 20 5 EEBDHN C[C@H](O)CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295119107 464711669 /nfs/dbraw/zinc/71/16/69/464711669.db2.gz WNLNCWMFQWKYPB-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN O=C(CN[C@@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282144684 464712837 /nfs/dbraw/zinc/71/28/37/464712837.db2.gz SDRYMHKMMBAGCN-OAHLLOKOSA-N 0 3 333.388 2.472 20 5 EEBDHN CN1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265885677 464721446 /nfs/dbraw/zinc/72/14/46/464721446.db2.gz XSHUWGCQYHUMBJ-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152599 464724666 /nfs/dbraw/zinc/72/46/66/464724666.db2.gz AJVXTCQRKXYXNO-ZTFRIQLXSA-N 0 3 347.415 2.133 20 5 EEBDHN COc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295484825 464854133 /nfs/dbraw/zinc/85/41/33/464854133.db2.gz ZKYSEWUIDBEJQB-GFCCVEGCSA-N 0 3 333.388 2.160 20 5 EEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249744999 464911287 /nfs/dbraw/zinc/91/12/87/464911287.db2.gz MIIJNYIGUNIGSP-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000282925260 465004429 /nfs/dbraw/zinc/00/44/29/465004429.db2.gz WROVMWGMCRZXMT-IUODEOHRSA-N 0 3 335.404 2.406 20 5 EEBDHN Cn1cc(N2CC[C@@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000361011873 465701610 /nfs/dbraw/zinc/70/16/10/465701610.db2.gz KQKMODWTFURHIB-CSPWOOARSA-N 0 3 327.388 2.210 20 5 EEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000353266112 465758154 /nfs/dbraw/zinc/75/81/54/465758154.db2.gz JCBXKMPZKQEHLI-HNNXBMFYSA-N 0 3 346.431 2.453 20 5 EEBDHN CCN1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000299604371 465822395 /nfs/dbraw/zinc/82/23/95/465822395.db2.gz IDVMIXRLMUNQAG-UHFFFAOYSA-N 0 3 330.388 2.104 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000353381115 465845324 /nfs/dbraw/zinc/84/53/24/465845324.db2.gz LSZHCTDDAOWECK-UHFFFAOYSA-N 0 3 328.372 2.357 20 5 EEBDHN CC(=O)c1ccc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301247362 465930055 /nfs/dbraw/zinc/93/00/55/465930055.db2.gz BAVLWIQCRSEFCU-INIZCTEOSA-N 0 3 346.431 2.014 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346171383 465959516 /nfs/dbraw/zinc/95/95/16/465959516.db2.gz WMENRAXSRMXYTO-SECBINFHSA-N 0 3 331.825 2.407 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000301861556 466047835 /nfs/dbraw/zinc/04/78/35/466047835.db2.gz FBHKGVVKJBOIKA-HOTGVXAUSA-N 0 3 328.372 2.037 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CC[C@H](CO)O3)o2)cc1 ZINC000353709086 466086661 /nfs/dbraw/zinc/08/66/61/466086661.db2.gz RZCYHGGCJUOYQR-GOEBONIOSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000357855027 466266553 /nfs/dbraw/zinc/26/65/53/466266553.db2.gz DEOCAUUFGGZCMZ-NHYWBVRUSA-N 0 3 345.403 2.356 20 5 EEBDHN CCc1nn(C)c(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000367466039 466357904 /nfs/dbraw/zinc/35/79/04/466357904.db2.gz QUBBAAQZVPNHEC-FOLVSLTJSA-N 0 3 341.415 2.433 20 5 EEBDHN COc1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332093971 466384433 /nfs/dbraw/zinc/38/44/33/466384433.db2.gz WNEZUCVZNFCEID-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000362023592 466492401 /nfs/dbraw/zinc/49/24/01/466492401.db2.gz ONWMHWJTDGDQKB-CQSZACIVSA-N 0 3 340.383 2.062 20 5 EEBDHN CS(=O)(=O)c1ccc(N[C@H]2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000322638533 466634318 /nfs/dbraw/zinc/63/43/18/466634318.db2.gz XGQMTOOVGOHBGA-RYUDHWBXSA-N 0 3 339.417 2.037 20 5 EEBDHN CS(=O)(=O)c1ccc(N[C@H]2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000322638531 466634565 /nfs/dbraw/zinc/63/45/65/466634565.db2.gz XGQMTOOVGOHBGA-NWDGAFQWSA-N 0 3 339.417 2.037 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374618601 466693921 /nfs/dbraw/zinc/69/39/21/466693921.db2.gz HSYHZQWVYCCPFK-HNNXBMFYSA-N 0 3 341.367 2.177 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@H]2C[C@@H](C)CCN2)c([N+](=O)[O-])c1 ZINC000423241494 466702488 /nfs/dbraw/zinc/70/24/88/466702488.db2.gz YACCGIDHCBMLTD-DZGCQCFKSA-N 0 3 334.420 2.210 20 5 EEBDHN COC(=O)[C@@H]1CN(C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000411908957 466930272 /nfs/dbraw/zinc/93/02/72/466930272.db2.gz FDAUJLBUTMPGLY-ZIAGYGMSSA-N 0 3 335.404 2.001 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000411984585 466957063 /nfs/dbraw/zinc/95/70/63/466957063.db2.gz RLQDJSAMVGWTBR-JKSUJKDBSA-N 0 3 343.358 2.435 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408725 467155963 /nfs/dbraw/zinc/15/59/63/467155963.db2.gz WKOCSXOZMNELKB-AWEZNQCLSA-N 0 3 331.376 2.931 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408725 467155966 /nfs/dbraw/zinc/15/59/66/467155966.db2.gz WKOCSXOZMNELKB-AWEZNQCLSA-N 0 3 331.376 2.931 20 5 EEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)c(F)c1 ZINC000413231681 467193959 /nfs/dbraw/zinc/19/39/59/467193959.db2.gz BWZBHQSEMUMQCJ-OAHLLOKOSA-N 0 3 346.362 2.308 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000451978441 467292742 /nfs/dbraw/zinc/29/27/42/467292742.db2.gz FQGNHDXCOONBLS-UHFFFAOYSA-N 0 3 334.464 2.409 20 5 EEBDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318362 467325330 /nfs/dbraw/zinc/32/53/30/467325330.db2.gz NGZXBJBCXCJYJT-WCQYABFASA-N 0 3 341.367 2.384 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477215 467419690 /nfs/dbraw/zinc/41/96/90/467419690.db2.gz ZOOBTCNADNXENN-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476805 467419704 /nfs/dbraw/zinc/41/97/04/467419704.db2.gz YVXRIGWXRSUTLO-UWVGGRQHSA-N 0 3 347.824 2.044 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000450814535 467912933 /nfs/dbraw/zinc/91/29/33/467912933.db2.gz VXSGDFAZPCCHQF-AWEZNQCLSA-N 0 3 329.404 2.287 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530715807 468004185 /nfs/dbraw/zinc/00/41/85/468004185.db2.gz DSLZDFFBXNTYMT-CABCVRRESA-N 0 3 347.415 2.231 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000486984506 468017055 /nfs/dbraw/zinc/01/70/55/468017055.db2.gz YDZJFACYQWCUIR-CQSZACIVSA-N 0 3 336.436 2.179 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Cl)c2Cl)c1 ZINC000570081521 468587968 /nfs/dbraw/zinc/58/79/68/468587968.db2.gz CKZHJNAGYZYAQX-NSHDSACASA-N 0 3 345.186 2.249 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCC(O)CC1 ZINC000595018558 468743581 /nfs/dbraw/zinc/74/35/81/468743581.db2.gz RVHRMDQGHPCCCM-CYBMUJFWSA-N 0 3 337.420 2.101 20 5 EEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCO[C@H]21 ZINC000584323118 468843681 /nfs/dbraw/zinc/84/36/81/468843681.db2.gz YSVYXUVDRJAEDY-ZJIFWQFVSA-N 0 3 345.399 2.103 20 5 EEBDHN COC(=O)CC1(NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000593057881 468855630 /nfs/dbraw/zinc/85/56/30/468855630.db2.gz XBEOFEVVCWJAMW-UHFFFAOYSA-N 0 3 345.355 2.478 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593113501 468875558 /nfs/dbraw/zinc/87/55/58/468875558.db2.gz YGMAPMYONIEZKG-GFCCVEGCSA-N 0 3 337.395 2.465 20 5 EEBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639255 468982096 /nfs/dbraw/zinc/98/20/96/468982096.db2.gz IESIDJKUMMKLIJ-ZANVPECISA-N 0 3 334.294 2.243 20 5 EEBDHN CCOC(=O)c1ccnc(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593514854 469012274 /nfs/dbraw/zinc/01/22/74/469012274.db2.gz BLLVQKKILZNVBH-UHFFFAOYSA-N 0 3 336.392 2.089 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714607 469047656 /nfs/dbraw/zinc/04/76/56/469047656.db2.gz VMHKVZIXJSLRAW-MGPLVRAMSA-N 0 3 328.372 2.289 20 5 EEBDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)cc1 ZINC000601881149 469074935 /nfs/dbraw/zinc/07/49/35/469074935.db2.gz SIIZYOHEDFTPHT-CQSZACIVSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)cc1 ZINC000601881149 469074943 /nfs/dbraw/zinc/07/49/43/469074943.db2.gz SIIZYOHEDFTPHT-CQSZACIVSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2cccnc2)CC1 ZINC000602798159 469083146 /nfs/dbraw/zinc/08/31/46/469083146.db2.gz MYAICULGNHGGQL-UHFFFAOYSA-N 0 3 329.404 2.449 20 5 EEBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](CN)C(F)(F)F ZINC000596000709 469111661 /nfs/dbraw/zinc/11/16/61/469111661.db2.gz NQTVNCHRIRMUAJ-VIFPVBQESA-N 0 3 325.674 2.210 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596271065 469228455 /nfs/dbraw/zinc/22/84/55/469228455.db2.gz NLQAWQKHYCWZAY-UHFFFAOYSA-N 0 3 348.428 2.323 20 5 EEBDHN Cc1cc(NCC2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000596439462 469266989 /nfs/dbraw/zinc/26/69/89/469266989.db2.gz BXTQLOYCPFLVJR-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EEBDHN COCCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611707033 469306896 /nfs/dbraw/zinc/30/68/96/469306896.db2.gz DFWSLKVIHGPSDD-UHFFFAOYSA-N 0 3 331.376 2.061 20 5 EEBDHN COc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611825172 469330454 /nfs/dbraw/zinc/33/04/54/469330454.db2.gz VWOVUSPYVGCKOY-CYBMUJFWSA-N 0 3 334.376 2.209 20 5 EEBDHN Cc1nn(C)c(C)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602526978 469350718 /nfs/dbraw/zinc/35/07/18/469350718.db2.gz PNTDSCBLRLIOSG-UHFFFAOYSA-N 0 3 344.419 2.099 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000616014436 469353733 /nfs/dbraw/zinc/35/37/33/469353733.db2.gz VISAUQUPSWOEFL-NVXWUHKLSA-N 0 3 337.395 2.467 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000619531128 469632886 /nfs/dbraw/zinc/63/28/86/469632886.db2.gz LZRJPBDVADBTGE-QGZVFWFLSA-N 0 3 349.431 2.290 20 5 EEBDHN O=C(CCN1CCC[C@H](n2ccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258023 469907293 /nfs/dbraw/zinc/90/72/93/469907293.db2.gz IQOAZDSIUCTBOD-INIZCTEOSA-N 0 3 343.387 2.457 20 5 EEBDHN COCCCN1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000726967961 576362419 /nfs/dbraw/zinc/36/24/19/576362419.db2.gz KRRRECUUBVTOAN-UHFFFAOYSA-N 0 3 333.392 2.155 20 5 EEBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000728198474 576482288 /nfs/dbraw/zinc/48/22/88/576482288.db2.gz HBCMYMDAUGBYNI-UHFFFAOYSA-N 0 3 332.404 2.385 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773103990 577315957 /nfs/dbraw/zinc/31/59/57/577315957.db2.gz CXWZEUCTKJRQEK-LBPRGKRZSA-N 0 3 347.337 2.467 20 5 EEBDHN CN(CCN(C)C1CC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770690082 577601752 /nfs/dbraw/zinc/60/17/52/577601752.db2.gz VXFDVKZHWYABFS-UHFFFAOYSA-N 0 3 340.811 2.213 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000743639566 577888249 /nfs/dbraw/zinc/88/82/49/577888249.db2.gz WGVBSLCZIZECLI-CABZTGNLSA-N 0 3 336.348 2.024 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000736137195 578182795 /nfs/dbraw/zinc/18/27/95/578182795.db2.gz IREDYSWYZKWSLY-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000736137195 578182796 /nfs/dbraw/zinc/18/27/96/578182796.db2.gz IREDYSWYZKWSLY-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823647107 606224025 /nfs/dbraw/zinc/22/40/25/606224025.db2.gz FZWQSZWNMKYYJL-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000823647107 606224027 /nfs/dbraw/zinc/22/40/27/606224027.db2.gz FZWQSZWNMKYYJL-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1F ZINC001021922577 676549819 /nfs/dbraw/zinc/54/98/19/676549819.db2.gz XZEJQHBFCRAYAF-BETUJISGSA-N 0 3 344.346 2.180 20 5 EEBDHN COc1c([O-])ccc(CN2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000897981005 691844042 /nfs/dbraw/zinc/84/40/42/691844042.db2.gz IDCCHIJRALKRHY-UHFFFAOYSA-N 0 3 335.404 2.416 20 5 EEBDHN O=C(CC(F)(F)F)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001752620006 1181965755 /nfs/dbraw/zinc/96/57/55/1181965755.db2.gz OYMCRPGRMHYJEY-XYPYZODXSA-N 0 3 331.294 2.284 20 5 EEBDHN CN(C[C@H](O)Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649067 1199643153 /nfs/dbraw/zinc/64/31/53/1199643153.db2.gz IUSGUHYCRGLOSS-MSOLQXFVSA-N 0 3 330.384 2.164 20 5 EEBDHN CC(COC(=O)c1cn(C)nc1-c1cc(F)ccc1F)[N+](=O)[O-] ZINC000870377557 1200642775 /nfs/dbraw/zinc/64/27/75/1200642775.db2.gz QUSZLGIJZHWAOD-QMMMGPOBSA-N 0 3 325.271 2.187 20 5 EEBDHN COc1cc(OC)c(OC)c2[nH]c(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813107206 1201119150 /nfs/dbraw/zinc/11/91/50/1201119150.db2.gz MPSSOKWQTZYBRP-MRVPVSSYSA-N 0 3 338.316 2.016 20 5 EEBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC2=O)cc1C ZINC000813108217 1201120649 /nfs/dbraw/zinc/12/06/49/1201120649.db2.gz VZLGKOBCPFAWCI-KBPBESRZSA-N 0 3 334.372 2.255 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879999006 1201342691 /nfs/dbraw/zinc/34/26/91/1201342691.db2.gz FKZAIVJPZRGSLM-HNNXBMFYSA-N 0 3 334.351 2.392 20 5 EEBDHN CS[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000882200407 1201829915 /nfs/dbraw/zinc/82/99/15/1201829915.db2.gz HYTLAXGVTZXDAZ-NWDGAFQWSA-N 0 3 326.397 2.145 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001095899406 1215751443 /nfs/dbraw/zinc/75/14/43/1215751443.db2.gz BSEGWRPZAMXXDM-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN O=C(CC1CC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048640687 1238164077 /nfs/dbraw/zinc/16/40/77/1238164077.db2.gz ZBIRBRZVDDOMMM-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1scnc1C1CC1 ZINC001134996099 1278110081 /nfs/dbraw/zinc/11/00/81/1278110081.db2.gz RACDFBJXUDSBMX-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN C[C@@H](NCCn1cnc(Br)n1)c1cccc([N+](=O)[O-])c1 ZINC000851896717 1291907695 /nfs/dbraw/zinc/90/76/95/1291907695.db2.gz LYMNSJFIDHBUFA-SECBINFHSA-N 0 3 340.181 2.300 20 5 EEBDHN CC(C)(C)[C@@H](C[NH3+])[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766717 1293911297 /nfs/dbraw/zinc/91/12/97/1293911297.db2.gz VLFZOHFESLUGOV-LLVKDONJSA-N 0 3 331.319 2.056 20 5 EEBDHN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861894746 1295585410 /nfs/dbraw/zinc/58/54/10/1295585410.db2.gz JLOICUZCQXXKLR-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096898 1301685677 /nfs/dbraw/zinc/68/56/77/1301685677.db2.gz VKGUHXVMFUZKAO-LBPRGKRZSA-N 0 3 332.360 2.495 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096898 1301685686 /nfs/dbraw/zinc/68/56/86/1301685686.db2.gz VKGUHXVMFUZKAO-LBPRGKRZSA-N 0 3 332.360 2.495 20 5 EEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159590053 1319904198 /nfs/dbraw/zinc/90/41/98/1319904198.db2.gz HTUDKOBYMMXFAN-NSHDSACASA-N 0 3 325.328 2.101 20 5 EEBDHN CCN(CC)CCNC(=N)Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001163126974 1321044021 /nfs/dbraw/zinc/04/40/21/1321044021.db2.gz WHAYJMYCDXOABP-UHFFFAOYSA-N 0 3 328.804 2.230 20 5 EEBDHN CSCC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163304167 1321091790 /nfs/dbraw/zinc/09/17/90/1321091790.db2.gz LRJLGQRNBRTUJT-UHFFFAOYSA-N 0 3 343.474 2.395 20 5 EEBDHN Cc1cc(CN)nn1-c1nc(C)c(Br)c(C)c1[N+](=O)[O-] ZINC001163986222 1321262949 /nfs/dbraw/zinc/26/29/49/1321262949.db2.gz XUZMQLRCSJDCNF-UHFFFAOYSA-N 0 3 340.181 2.322 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001261550986 1322131220 /nfs/dbraw/zinc/13/12/20/1322131220.db2.gz SUZKYQSCNONKQM-JKSUJKDBSA-N 0 3 332.404 2.383 20 5 EEBDHN CC/C(C)=C\C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001205196345 1322310053 /nfs/dbraw/zinc/31/00/53/1322310053.db2.gz LXZRSXQSBLNYPV-LCYFTJDESA-N 0 3 349.435 2.013 20 5 EEBDHN CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084335 1351835108 /nfs/dbraw/zinc/83/51/08/1351835108.db2.gz VLJOVVFYAUXBBL-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084335 1351835110 /nfs/dbraw/zinc/83/51/10/1351835110.db2.gz VLJOVVFYAUXBBL-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccnc2N2CCCC2)c1 ZINC001335366489 1336367822 /nfs/dbraw/zinc/36/78/22/1336367822.db2.gz IOYXWPXHMZXDEQ-QGZVFWFLSA-N 0 3 342.399 2.413 20 5 EEBDHN Cc1cccnc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915747 1336447751 /nfs/dbraw/zinc/44/77/51/1336447751.db2.gz BBJABTHOERPGDA-UKRRQHHQSA-N 0 3 331.372 2.389 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001336199046 1336499085 /nfs/dbraw/zinc/49/90/85/1336499085.db2.gz GMTXGXBPQKTVQV-INIZCTEOSA-N 0 3 334.420 2.387 20 5 EEBDHN Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723103 1351218359 /nfs/dbraw/zinc/21/83/59/1351218359.db2.gz ODRZJCJLRGDPHG-UONOGXRCSA-N 0 3 345.407 2.224 20 5 EEBDHN Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723103 1351218361 /nfs/dbraw/zinc/21/83/61/1351218361.db2.gz ODRZJCJLRGDPHG-UONOGXRCSA-N 0 3 345.407 2.224 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCN(C)C2)n1C ZINC001121523694 1371892305 /nfs/dbraw/zinc/89/23/05/1371892305.db2.gz KZFAAMNKKFLSCU-AWEZNQCLSA-N 0 3 344.419 2.169 20 5 EEBDHN CCc1oncc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001167462348 759671520 /nfs/dbraw/zinc/67/15/20/759671520.db2.gz OWYFFLNARPWRSO-UHFFFAOYSA-N 0 3 338.389 2.116 20 5 EEBDHN CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000892471836 761377906 /nfs/dbraw/zinc/37/79/06/761377906.db2.gz QXOCCUATSLSVBG-CYBMUJFWSA-N 0 3 342.399 2.120 20 5 EEBDHN CC(C)(C)c1nc[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127659583 777794436 /nfs/dbraw/zinc/79/44/36/777794436.db2.gz GXZVVHPZDSXBRX-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN Cc1cnc(NCCCN(C)C(=O)CN(C)C2CCC2)c([N+](=O)[O-])c1 ZINC001109653225 805831925 /nfs/dbraw/zinc/83/19/25/805831925.db2.gz OUQVAOSUFFSNJT-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC([C@H](OC(=O)CCc1ccncn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875655 789971730 /nfs/dbraw/zinc/97/17/30/789971730.db2.gz AXXSQDGINMRLDB-BZNIZROVSA-N 0 3 333.319 2.498 20 5 EEBDHN CC([C@@H](OC(=O)CC1OCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884563 789974719 /nfs/dbraw/zinc/97/47/19/789974719.db2.gz ZPGZYEUGMKIYFU-MEBBXXQBSA-N 0 3 327.308 2.228 20 5 EEBDHN CC([C@H](OC(=O)c1cnn2c1OCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884576 789975062 /nfs/dbraw/zinc/97/50/62/789975062.db2.gz ZXIBOVGALNUYCF-YGRLFVJLSA-N 0 3 349.318 2.368 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001095228614 797552169 /nfs/dbraw/zinc/55/21/69/797552169.db2.gz MZRXIBGGJDXEQS-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN COCC(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040559578 799271185 /nfs/dbraw/zinc/27/11/85/799271185.db2.gz UODSKPPIXXFFPU-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN COCc1sccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130254869 811352180 /nfs/dbraw/zinc/35/21/80/811352180.db2.gz AHAFSFSBZKQSEI-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncc(Cl)s1 ZINC001131294080 812634636 /nfs/dbraw/zinc/63/46/36/812634636.db2.gz NODDRKPUVPGOJD-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000164147141 529786039 /nfs/dbraw/zinc/78/60/39/529786039.db2.gz NMPHWZDWPWLMPN-CZUORRHYSA-N 0 3 346.431 2.217 20 5 EEBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000154892365 530050338 /nfs/dbraw/zinc/05/03/38/530050338.db2.gz VELWKXINXWFEMC-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000181576316 234239180 /nfs/dbraw/zinc/23/91/80/234239180.db2.gz YCHSFYGAJCPZEX-LBPRGKRZSA-N 0 3 327.768 2.201 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000448182325 242376293 /nfs/dbraw/zinc/37/62/93/242376293.db2.gz SGWAIGGSBIHXHT-WFASDCNBSA-N 0 3 341.433 2.089 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748303 243153101 /nfs/dbraw/zinc/15/31/01/243153101.db2.gz AJLHQHPZYINYST-SRMUXQRQSA-N 0 3 333.388 2.469 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488950 243130428 /nfs/dbraw/zinc/13/04/28/243130428.db2.gz JLIRWSGFVMAELA-DJIMGWMZSA-N 0 3 345.399 2.105 20 5 EEBDHN CNc1nc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000455558442 244026711 /nfs/dbraw/zinc/02/67/11/244026711.db2.gz UANWYYIOUMPILV-VXGBXAGGSA-N 0 3 335.408 2.024 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](OC)C12CCC2 ZINC000459764433 245240090 /nfs/dbraw/zinc/24/00/90/245240090.db2.gz ONUPXJZADPDSEN-GJZGRUSLSA-N 0 3 349.387 2.089 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2CC)c([N+](=O)[O-])c1 ZINC000459769597 245243397 /nfs/dbraw/zinc/24/33/97/245243397.db2.gz HEINPSAOPQTOJH-HIFRSBDPSA-N 0 3 337.376 2.089 20 5 EEBDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094875 256112603 /nfs/dbraw/zinc/11/26/03/256112603.db2.gz CLTPCIAHFCIZID-BFQNTYOBSA-N 0 3 332.404 2.438 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150656 256119215 /nfs/dbraw/zinc/11/92/15/256119215.db2.gz MOXXLMDEMHVOKL-ZUZCIYMTSA-N 0 3 330.388 2.374 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497416 256141852 /nfs/dbraw/zinc/14/18/52/256141852.db2.gz JXWBTEDZZWRKRQ-CJNGLKHVSA-N 0 3 334.420 2.119 20 5 EEBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146818 256212813 /nfs/dbraw/zinc/21/28/13/256212813.db2.gz RTWWLQAKDSMVHR-ZBFHGGJFSA-N 0 3 349.431 2.266 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273557965 256306696 /nfs/dbraw/zinc/30/66/96/256306696.db2.gz WQESHYPMZJAMSK-HZPDHXFCSA-N 0 3 349.456 2.176 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000273441208 256297230 /nfs/dbraw/zinc/29/72/30/256297230.db2.gz ZQEGERHQDSKHKN-GFCCVEGCSA-N 0 3 331.376 2.316 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192674637 140875326 /nfs/dbraw/zinc/87/53/26/140875326.db2.gz HRZPXKLBGROUTL-BETUJISGSA-N 0 3 339.440 2.421 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000058100310 292147684 /nfs/dbraw/zinc/14/76/84/292147684.db2.gz CLHJLCXOJGIIRM-UHFFFAOYSA-N 0 3 346.362 2.308 20 5 EEBDHN C[C@H](C(=O)Nc1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000359494060 153397734 /nfs/dbraw/zinc/39/77/34/153397734.db2.gz FDOIKQVTKUSGQM-NSHDSACASA-N 0 3 349.366 2.234 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000266731901 292290724 /nfs/dbraw/zinc/29/07/24/292290724.db2.gz IDWKIPXKQQPAMK-CABCVRRESA-N 0 3 347.415 2.367 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851084 161095754 /nfs/dbraw/zinc/09/57/54/161095754.db2.gz IGONZARNHCXYQG-DOMZBBRYSA-N 0 3 331.416 2.471 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCN1C ZINC000343427229 161134898 /nfs/dbraw/zinc/13/48/98/161134898.db2.gz DWIFRNMKKVXNNQ-GXSJLCMTSA-N 0 3 343.330 2.409 20 5 EEBDHN CCc1ccc([C@@H](NC[C@H](O)CN(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551812 161381345 /nfs/dbraw/zinc/38/13/45/161381345.db2.gz HFXXKWFPJAIRRZ-YJBOKZPZSA-N 0 3 347.415 2.352 20 5 EEBDHN CC(C)(CO)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000352358832 162102822 /nfs/dbraw/zinc/10/28/22/162102822.db2.gz YRHNAWNREVYZAN-QGZVFWFLSA-N 0 3 345.399 2.106 20 5 EEBDHN COc1ccc(CN(CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355470191 163201645 /nfs/dbraw/zinc/20/16/45/163201645.db2.gz JOLOYKIKRQOKJG-CYBMUJFWSA-N 0 3 326.418 2.293 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832218 164387531 /nfs/dbraw/zinc/38/75/31/164387531.db2.gz DGFXKWGCJLHJMO-SWLSCSKDSA-N 0 3 338.404 2.432 20 5 EEBDHN O=C(CNC1(C2CC2)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375701527 167179451 /nfs/dbraw/zinc/17/94/51/167179451.db2.gz NYVPYRRQWRPAHU-UHFFFAOYSA-N 0 3 345.399 2.033 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272715062 269012225 /nfs/dbraw/zinc/01/22/25/269012225.db2.gz WDLBHHRUTFXGHL-BRWVUGGUSA-N 0 3 336.388 2.420 20 5 EEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277801737 269184625 /nfs/dbraw/zinc/18/46/25/269184625.db2.gz PLWBSLNAVOKEPG-PVUWLOKVSA-N 0 3 330.388 2.097 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269101305 274109826 /nfs/dbraw/zinc/10/98/26/274109826.db2.gz RVOMCYGHAIEDEW-RDJZCZTQSA-N 0 3 342.399 2.285 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1CC(C)(C)O ZINC000275481448 274250110 /nfs/dbraw/zinc/25/01/10/274250110.db2.gz JJWBLUATQYYCOF-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000277933434 274325139 /nfs/dbraw/zinc/32/51/39/274325139.db2.gz KAWCIGWIMLMLEJ-XHDPSFHLSA-N 0 3 345.403 2.302 20 5 EEBDHN O=[N+]([O-])c1cccc(CCNCc2cnc(C3OCCO3)s2)c1 ZINC000290373613 275201970 /nfs/dbraw/zinc/20/19/70/275201970.db2.gz NMRAZFCBTBMDHK-UHFFFAOYSA-N 0 3 335.385 2.429 20 5 EEBDHN CN(C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290840303 275245263 /nfs/dbraw/zinc/24/52/63/275245263.db2.gz VWUJIJWPKSQCMI-LLVKDONJSA-N 0 3 345.193 2.191 20 5 EEBDHN CCOc1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000184131783 276381256 /nfs/dbraw/zinc/38/12/56/276381256.db2.gz PPZTXGLSOJNQJI-CQSZACIVSA-N 0 3 335.404 2.152 20 5 EEBDHN COc1cccc(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185448030 278015995 /nfs/dbraw/zinc/01/59/95/278015995.db2.gz UNCKRUORNXHPNJ-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465109 292828097 /nfs/dbraw/zinc/82/80/97/292828097.db2.gz KERMPZHTVQGKLO-HOCLYGCPSA-N 0 3 326.368 2.390 20 5 EEBDHN C[C@@H](NCCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081184 293027113 /nfs/dbraw/zinc/02/71/13/293027113.db2.gz LUXINVBWOJRAFV-GFCCVEGCSA-N 0 3 344.419 2.388 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293584185 293244474 /nfs/dbraw/zinc/24/44/74/293244474.db2.gz ANCKSMUKWRGCEI-MRXNPFEDSA-N 0 3 337.807 2.345 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000297392482 294231620 /nfs/dbraw/zinc/23/16/20/294231620.db2.gz RCSVHTQNXAZEMP-GOSISDBHSA-N 0 3 346.431 2.265 20 5 EEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298151128 294432335 /nfs/dbraw/zinc/43/23/35/294432335.db2.gz HJGGPLOESDHHGF-UHFFFAOYSA-N 0 3 341.433 2.088 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000417711884 313573647 /nfs/dbraw/zinc/57/36/47/313573647.db2.gz DYLHDBHPWXZNST-ZIAGYGMSSA-N 0 3 349.435 2.097 20 5 EEBDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028349 314031356 /nfs/dbraw/zinc/03/13/56/314031356.db2.gz UGWVCLHJCRJQJQ-CHWSQXEVSA-N 0 3 338.408 2.091 20 5 EEBDHN CCCN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OCC)CC1=O ZINC000421353642 314090376 /nfs/dbraw/zinc/09/03/76/314090376.db2.gz PTIXTMBAXLISOA-ZDUSSCGKSA-N 0 3 335.404 2.342 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000444620589 315311821 /nfs/dbraw/zinc/31/18/21/315311821.db2.gz VSNGOYLWEAMYCU-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CC[C@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862647 318011480 /nfs/dbraw/zinc/01/14/80/318011480.db2.gz KHXLBFHIRHMLBU-QWHCGFSZSA-N 0 3 341.433 2.041 20 5 EEBDHN CC(C)[C@]1(C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860847 319119422 /nfs/dbraw/zinc/11/94/22/319119422.db2.gz WEIORJNVQAUDDB-CABCVRRESA-N 0 3 326.418 2.393 20 5 EEBDHN Cc1noc(C)c1C[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860328 320280377 /nfs/dbraw/zinc/28/03/77/320280377.db2.gz XKHHMAQEKBESLA-BXUZGUMPSA-N 0 3 349.387 2.160 20 5 EEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578010800 320288819 /nfs/dbraw/zinc/28/88/19/320288819.db2.gz RQHOJXNCGLAYOE-GFCCVEGCSA-N 0 3 347.371 2.070 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CC(F)(F)F ZINC000358348713 465073137 /nfs/dbraw/zinc/07/31/37/465073137.db2.gz CXYKSKARBKJFKY-ONGXEEELSA-N 0 3 349.309 2.215 20 5 EEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CC(F)(F)F ZINC000358373493 465085451 /nfs/dbraw/zinc/08/54/51/465085451.db2.gz XWDINKTYLYTMFX-MWLCHTKSSA-N 0 3 349.309 2.215 20 5 EEBDHN CC(C)N(CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000341295498 465098218 /nfs/dbraw/zinc/09/82/18/465098218.db2.gz QJOYVACAKZDAFU-UHFFFAOYSA-N 0 3 333.392 2.774 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000296500791 465214981 /nfs/dbraw/zinc/21/49/81/465214981.db2.gz BROATYLXFOMLSD-INIZCTEOSA-N 0 3 334.376 2.163 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC000341528882 465216413 /nfs/dbraw/zinc/21/64/13/465216413.db2.gz GENYISKFJOBZSR-VXGBXAGGSA-N 0 3 336.392 2.451 20 5 EEBDHN Nc1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1[N+](=O)[O-] ZINC000590571721 468276293 /nfs/dbraw/zinc/27/62/93/468276293.db2.gz WCCHBFJWMPURRT-OAHLLOKOSA-N 0 3 327.388 2.821 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@H]1C ZINC000521386370 468308698 /nfs/dbraw/zinc/30/86/98/468308698.db2.gz RTJZVIXLSVPOSR-NEPJUHHUSA-N 0 3 349.387 2.316 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000090538977 462796488 /nfs/dbraw/zinc/79/64/88/462796488.db2.gz OBCFXLOIKGLANP-ZDUSSCGKSA-N 0 3 343.387 2.269 20 5 EEBDHN C[C@H]1CCN(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248829 468321240 /nfs/dbraw/zinc/32/12/40/468321240.db2.gz UYUAUUPNMRIALC-YOEHRIQHSA-N 0 3 343.431 2.349 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000094069737 463057152 /nfs/dbraw/zinc/05/71/52/463057152.db2.gz IQZUGRULKUSYKD-CABCVRRESA-N 0 3 347.415 2.113 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000590776657 468336091 /nfs/dbraw/zinc/33/60/91/468336091.db2.gz YESSFWOTJIKNHS-TYNCELHUSA-N 0 3 335.429 2.238 20 5 EEBDHN Cc1n[nH]c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000068386140 463128713 /nfs/dbraw/zinc/12/87/13/463128713.db2.gz VOKJEVTXNHKMOI-NSHDSACASA-N 0 3 345.403 2.486 20 5 EEBDHN CN(CCOc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712013 463168926 /nfs/dbraw/zinc/16/89/26/463168926.db2.gz UZKLJVOIRWTXBB-INIZCTEOSA-N 0 3 346.383 2.345 20 5 EEBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011551 468349969 /nfs/dbraw/zinc/34/99/69/468349969.db2.gz OUBNZTYKKHANGL-HJIKLVIJSA-N 0 3 341.795 2.324 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000032730720 463390387 /nfs/dbraw/zinc/39/03/87/463390387.db2.gz ZTYLLFOTBHDYCF-KBPBESRZSA-N 0 3 335.404 2.353 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C)[C@H](C(C)C)C1 ZINC000553245685 468357128 /nfs/dbraw/zinc/35/71/28/468357128.db2.gz GBCHMCHVWDKTJN-INIZCTEOSA-N 0 3 335.404 2.466 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104976008 463431546 /nfs/dbraw/zinc/43/15/46/463431546.db2.gz UKUDGPKHSXDGEO-UHFFFAOYSA-N 0 3 344.799 2.290 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276671378 463713566 /nfs/dbraw/zinc/71/35/66/463713566.db2.gz TUGUFALATIQJHX-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000277059997 463860945 /nfs/dbraw/zinc/86/09/45/463860945.db2.gz HUKKEABMEHBKFC-CQSZACIVSA-N 0 3 336.436 2.289 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292417375 464226398 /nfs/dbraw/zinc/22/63/98/464226398.db2.gz BNLBZJXZKWGLIW-HNNXBMFYSA-N 0 3 339.342 2.241 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000237779654 464378964 /nfs/dbraw/zinc/37/89/64/464378964.db2.gz WMELZLYXPFUKNQ-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000281484938 464473594 /nfs/dbraw/zinc/47/35/94/464473594.db2.gz HCMUEKRLVIVLCW-CQSZACIVSA-N 0 3 347.415 2.439 20 5 EEBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170198 464730843 /nfs/dbraw/zinc/73/08/43/464730843.db2.gz RPPITLUZRLEWNY-UWVGGRQHSA-N 0 3 337.351 2.098 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286257575 464857704 /nfs/dbraw/zinc/85/77/04/464857704.db2.gz GJTHZISQFVKBEN-SFHVURJKSA-N 0 3 341.415 2.431 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238809 464987421 /nfs/dbraw/zinc/98/74/21/464987421.db2.gz OKPOBBSVYUZVHD-QMTHXVAHSA-N 0 3 328.372 2.289 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908670 464998230 /nfs/dbraw/zinc/99/82/30/464998230.db2.gz YKSPRMOYAHWJRT-CXAGYDPISA-N 0 3 346.431 2.261 20 5 EEBDHN CSc1ccccc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355252 465324763 /nfs/dbraw/zinc/32/47/63/465324763.db2.gz DPJQVFXUSDUYMD-WCQYABFASA-N 0 3 336.417 2.225 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2)c1 ZINC000348399910 465583035 /nfs/dbraw/zinc/58/30/35/465583035.db2.gz RUZOQXOQNPJCGI-CQSZACIVSA-N 0 3 340.387 2.387 20 5 EEBDHN COc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110783 465646845 /nfs/dbraw/zinc/64/68/45/465646845.db2.gz MIKQBDHTADWOMO-LRDDRELGSA-N 0 3 335.404 2.386 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000344538839 465654597 /nfs/dbraw/zinc/65/45/97/465654597.db2.gz YBSQDVVDSNLKCW-ZDUSSCGKSA-N 0 3 333.388 2.025 20 5 EEBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000344555129 465672964 /nfs/dbraw/zinc/67/29/64/465672964.db2.gz XVZJYLKBUGHPDN-LJQANCHMSA-N 0 3 341.411 2.321 20 5 EEBDHN C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000338063026 465792227 /nfs/dbraw/zinc/79/22/27/465792227.db2.gz XBHXHCNGHPOKCN-CQSZACIVSA-N 0 3 346.431 2.429 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000361438059 465997067 /nfs/dbraw/zinc/99/70/67/465997067.db2.gz UAIYVZHGRWVPSV-QGZVFWFLSA-N 0 3 336.388 2.244 20 5 EEBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000361534244 466082451 /nfs/dbraw/zinc/08/24/51/466082451.db2.gz WSACCULKAZYDQY-GJZGRUSLSA-N 0 3 348.447 2.410 20 5 EEBDHN COC(=O)COc1ccc(CNC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000353771295 466135115 /nfs/dbraw/zinc/13/51/15/466135115.db2.gz BBWNFJKDBRDZDR-GFCCVEGCSA-N 0 3 340.401 2.132 20 5 EEBDHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CC(C)(C)O ZINC000302493762 466146848 /nfs/dbraw/zinc/14/68/48/466146848.db2.gz LCOUQWVRWDHCPB-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN COc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000346827632 466181658 /nfs/dbraw/zinc/18/16/58/466181658.db2.gz LKLBHANFQPIHFA-OAHLLOKOSA-N 0 3 334.347 2.436 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)Cc1ccccc1 ZINC000346857878 466203736 /nfs/dbraw/zinc/20/37/36/466203736.db2.gz XCNOJYIOYZPGIW-ZDUSSCGKSA-N 0 3 330.388 2.184 20 5 EEBDHN CCn1cc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353957035 466280714 /nfs/dbraw/zinc/28/07/14/466280714.db2.gz NLQLXGRYKINPPH-LBPRGKRZSA-N 0 3 331.376 2.318 20 5 EEBDHN Cc1cccc(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000338730498 466343053 /nfs/dbraw/zinc/34/30/53/466343053.db2.gz VEZRTKHESOQDPQ-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000347218893 466485519 /nfs/dbraw/zinc/48/55/19/466485519.db2.gz YJBNSSFIMVVNQU-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1nnc([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH]1 ZINC000412038946 466976210 /nfs/dbraw/zinc/97/62/10/466976210.db2.gz JTFBNJFCAUBVAU-SNVBAGLBSA-N 0 3 328.332 2.152 20 5 EEBDHN COc1ccc(OCCN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412051047 466982697 /nfs/dbraw/zinc/98/26/97/466982697.db2.gz VKEAAEGGPZGBQM-MJBXVCDLSA-N 0 3 336.388 2.075 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(CC(F)F)C1 ZINC000418134625 467056132 /nfs/dbraw/zinc/05/61/32/467056132.db2.gz NPZIJBZGJNZDLK-LBPRGKRZSA-N 0 3 329.347 2.423 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000427407365 467156088 /nfs/dbraw/zinc/15/60/88/467156088.db2.gz XDWLLTJERRTRFW-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN CN(CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000413348405 467221601 /nfs/dbraw/zinc/22/16/01/467221601.db2.gz OAVXXWAJWYXNEU-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN CNc1nc(C(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000454348963 467587102 /nfs/dbraw/zinc/58/71/02/467587102.db2.gz VHFWXFSVFKFHCJ-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EEBDHN Cc1nccn1CCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511240 467960842 /nfs/dbraw/zinc/96/08/42/467960842.db2.gz OTXGBPAFKCRBLL-UHFFFAOYSA-N 0 3 344.419 2.097 20 5 EEBDHN CCC1CCC(N(CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000488218908 468077780 /nfs/dbraw/zinc/07/77/80/468077780.db2.gz HIDKQKALOIQHFW-UHFFFAOYSA-N 0 3 349.431 2.457 20 5 EEBDHN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000517622841 468090957 /nfs/dbraw/zinc/09/09/57/468090957.db2.gz NCJRABLXIUOLPT-MCIONIFRSA-N 0 3 335.404 2.351 20 5 EEBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N(CCN1CCCCCC1)C1CCC1 ZINC000488870463 468109719 /nfs/dbraw/zinc/10/97/19/468109719.db2.gz CKYRDKKYOVUXNM-UHFFFAOYSA-N 0 3 335.408 2.189 20 5 EEBDHN CC(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000532667539 468130483 /nfs/dbraw/zinc/13/04/83/468130483.db2.gz MVGKSMVNNFMOHP-UHFFFAOYSA-N 0 3 335.360 2.382 20 5 EEBDHN C[C@@H](O)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594615057 468637202 /nfs/dbraw/zinc/63/72/02/468637202.db2.gz LLXMIRBOBRFSBV-GFCCVEGCSA-N 0 3 330.388 2.341 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147438 468761186 /nfs/dbraw/zinc/76/11/86/468761186.db2.gz NIKOIDLFCDMLDD-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN O=C(C[C@@H]1NCc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595248422 468792434 /nfs/dbraw/zinc/79/24/34/468792434.db2.gz GZSZIALQVFFXHP-KRWDZBQOSA-N 0 3 325.368 2.488 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COCC[C@H]1O ZINC000601306638 468818970 /nfs/dbraw/zinc/81/89/70/468818970.db2.gz NOVWNOCBQIOIGB-OUCADQQQSA-N 0 3 326.418 2.205 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593113502 468875520 /nfs/dbraw/zinc/87/55/20/468875520.db2.gz YGMAPMYONIEZKG-LBPRGKRZSA-N 0 3 337.395 2.465 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(F)c(F)c1 ZINC000561749660 468908239 /nfs/dbraw/zinc/90/82/39/468908239.db2.gz GHDFNNJURWARCJ-GFCCVEGCSA-N 0 3 338.310 2.403 20 5 EEBDHN Cn1ccc(CCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602616620 468967058 /nfs/dbraw/zinc/96/70/58/468967058.db2.gz MGYCPQNGIFKMRN-UHFFFAOYSA-N 0 3 345.222 2.485 20 5 EEBDHN COc1ccc(CNC[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000572704914 468974113 /nfs/dbraw/zinc/97/41/13/468974113.db2.gz HCRIAUBBQFHKMW-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN O=C(NCCN1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978975 469075716 /nfs/dbraw/zinc/07/57/16/469075716.db2.gz SEIYBQCFYRXYLV-UHFFFAOYSA-N 0 3 342.193 2.183 20 5 EEBDHN CN(C)CCNC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598991107 469078866 /nfs/dbraw/zinc/07/88/66/469078866.db2.gz HJOIQDPHQVLGGO-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CN(C)CCNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000598990745 469079495 /nfs/dbraw/zinc/07/94/95/469079495.db2.gz DCXHXNKQWSRFOK-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000602803575 469086081 /nfs/dbraw/zinc/08/60/81/469086081.db2.gz CTRDRHKFEWVYGF-RULNZOCKSA-N 0 3 336.417 2.188 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc[nH]c1=O ZINC000599084504 469112010 /nfs/dbraw/zinc/11/20/10/469112010.db2.gz SNILSWIOBCTHKD-NSHDSACASA-N 0 3 330.344 2.202 20 5 EEBDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140975 469173564 /nfs/dbraw/zinc/17/35/64/469173564.db2.gz VRPZPKPHCVKOOG-AWEZNQCLSA-N 0 3 328.372 2.406 20 5 EEBDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140975 469173568 /nfs/dbraw/zinc/17/35/68/469173568.db2.gz VRPZPKPHCVKOOG-AWEZNQCLSA-N 0 3 328.372 2.406 20 5 EEBDHN Cc1cc(NC(=O)c2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000602303239 469276814 /nfs/dbraw/zinc/27/68/14/469276814.db2.gz RIDGMPWKCPMMJV-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN Cc1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000603423291 469390325 /nfs/dbraw/zinc/39/03/25/469390325.db2.gz NUZFJJUYPQGMCL-MRXNPFEDSA-N 0 3 348.447 2.112 20 5 EEBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000608906277 469886009 /nfs/dbraw/zinc/88/60/09/469886009.db2.gz VVWPDAUGZLEADF-ZDUSSCGKSA-N 0 3 328.372 2.386 20 5 EEBDHN CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144369 529206569 /nfs/dbraw/zinc/20/65/69/529206569.db2.gz HNTXAQWFVADXDW-HZPDHXFCSA-N 0 3 335.404 2.273 20 5 EEBDHN COCCS(=O)(=O)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550356 577439372 /nfs/dbraw/zinc/43/93/72/577439372.db2.gz ZWFSZRDJFOFVIM-ZDUSSCGKSA-N 0 3 344.433 2.005 20 5 EEBDHN COc1ccc([C@@H](CCO)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606364 577464261 /nfs/dbraw/zinc/46/42/61/577464261.db2.gz VTZGTVBUQCOKPD-QZTJIDSGSA-N 0 3 346.383 2.350 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568855 578212010 /nfs/dbraw/zinc/21/20/10/578212010.db2.gz DCIWFDSKGAJLBS-DGCLKSJQSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568855 578212011 /nfs/dbraw/zinc/21/20/11/578212011.db2.gz DCIWFDSKGAJLBS-DGCLKSJQSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568855 578212012 /nfs/dbraw/zinc/21/20/12/578212012.db2.gz DCIWFDSKGAJLBS-DGCLKSJQSA-N 0 3 345.407 2.084 20 5 EEBDHN CC[N@H+]1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568855 578212013 /nfs/dbraw/zinc/21/20/13/578212013.db2.gz DCIWFDSKGAJLBS-DGCLKSJQSA-N 0 3 345.407 2.084 20 5 EEBDHN CN1CCCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000234356447 676794034 /nfs/dbraw/zinc/79/40/34/676794034.db2.gz WZNOFCHJAFENQI-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN COc1c([O-])ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894413308 682867520 /nfs/dbraw/zinc/86/75/20/682867520.db2.gz LVZJVOHGVVXISE-JSGCOSHPSA-N 0 3 335.404 2.368 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc2c1OCC2 ZINC001134204963 1199385581 /nfs/dbraw/zinc/38/55/81/1199385581.db2.gz LBLRPXOMIHMFIS-UHFFFAOYSA-N 0 3 341.367 2.049 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001134220212 1199404204 /nfs/dbraw/zinc/40/42/04/1199404204.db2.gz IVVREJDFADNMDP-UHFFFAOYSA-N 0 3 341.367 2.049 20 5 EEBDHN COc1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877346907 1199910115 /nfs/dbraw/zinc/91/01/15/1199910115.db2.gz VGROIIRHHBRFMQ-HNNXBMFYSA-N 0 3 341.367 2.048 20 5 EEBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[N+](=O)[O-] ZINC000813107830 1201117369 /nfs/dbraw/zinc/11/73/69/1201117369.db2.gz XKYMDXYFUZEXSY-SNVBAGLBSA-N 0 3 333.319 2.322 20 5 EEBDHN CC(COC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)[N+](=O)[O-] ZINC000813110944 1201121608 /nfs/dbraw/zinc/12/16/08/1201121608.db2.gz MQTOCYLFZGPLNU-GFCCVEGCSA-N 0 3 334.372 2.315 20 5 EEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1Br ZINC000813113743 1201124942 /nfs/dbraw/zinc/12/49/42/1201124942.db2.gz UOGQXQIGWTXPNH-ZETCQYMHSA-N 0 3 348.149 2.288 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095605604 1205889128 /nfs/dbraw/zinc/88/91/28/1205889128.db2.gz UCJNYOBWOGBNJK-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798924 1206485196 /nfs/dbraw/zinc/48/51/96/1206485196.db2.gz IEBOJYFLWFIHAT-JTQLQIEISA-N 0 3 349.416 2.061 20 5 EEBDHN Cc1nn(CN(C)CCCN(C)Cc2ccco2)c(C)c1[N+](=O)[O-] ZINC000795751154 1215044940 /nfs/dbraw/zinc/04/49/40/1215044940.db2.gz IUCLNUBWCGTEDR-UHFFFAOYSA-N 0 3 335.408 2.413 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000902543390 1237845011 /nfs/dbraw/zinc/84/50/11/1237845011.db2.gz SAQTVTZSXCHKLY-OAHLLOKOSA-N 0 3 346.435 2.268 20 5 EEBDHN COCCN1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225892447 1301191709 /nfs/dbraw/zinc/19/17/09/1301191709.db2.gz BXVXUFNNCMWTAO-UHFFFAOYSA-N 0 3 349.309 2.498 20 5 EEBDHN CCN1CCC(Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)CC1 ZINC001229943079 1302993018 /nfs/dbraw/zinc/99/30/18/1302993018.db2.gz SSVQWGVISICRHN-UHFFFAOYSA-N 0 3 326.324 2.384 20 5 EEBDHN C[C@H]1COCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782527261 1304079018 /nfs/dbraw/zinc/07/90/18/1304079018.db2.gz ZXGJCSZGXIBUEA-NSHDSACASA-N 0 3 325.340 2.173 20 5 EEBDHN Cc1cc(N(C)CCCN(C)C(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001112090096 1304222927 /nfs/dbraw/zinc/22/29/27/1304222927.db2.gz QIHNBMKCDLGIAT-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN Cc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001233666358 1304552742 /nfs/dbraw/zinc/55/27/42/1304552742.db2.gz WJQXKXDZSUSJFL-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN COc1ccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC001249342707 1317057403 /nfs/dbraw/zinc/05/74/03/1317057403.db2.gz RESAJUIJJAODBF-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN CC(=O)N1CCc2cc(N[C@H]3CN4CCC3CC4)cc([N+](=O)[O-])c21 ZINC001163395879 1321114787 /nfs/dbraw/zinc/11/47/87/1321114787.db2.gz YSEMRAPEQAGGTL-HNNXBMFYSA-N 0 3 330.388 2.010 20 5 EEBDHN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001308079559 1331563228 /nfs/dbraw/zinc/56/32/28/1331563228.db2.gz LWGQLEAULRHDRL-CQSZACIVSA-N 0 3 346.431 2.482 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001326395006 1334083298 /nfs/dbraw/zinc/08/32/98/1334083298.db2.gz UYRGFTYFSUHNFU-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN Cn1cc(N2CC[C@H](NCc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC001333684457 1336104936 /nfs/dbraw/zinc/10/49/36/1336104936.db2.gz KEXORHTZFJJVSB-ZDUSSCGKSA-N 0 3 335.795 2.350 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001100546648 1338490952 /nfs/dbraw/zinc/49/09/52/1338490952.db2.gz JOGJECLDLPJKKV-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592032767 1349586196 /nfs/dbraw/zinc/58/61/96/1349586196.db2.gz FELDKVLBAAXFBT-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592032767 1349586198 /nfs/dbraw/zinc/58/61/98/1349586198.db2.gz FELDKVLBAAXFBT-LBPRGKRZSA-N 0 3 345.407 2.370 20 5 EEBDHN CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224015 1350665318 /nfs/dbraw/zinc/66/53/18/1350665318.db2.gz RJVSUADLELQGKR-HNNXBMFYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224015 1350665322 /nfs/dbraw/zinc/66/53/22/1350665322.db2.gz RJVSUADLELQGKR-HNNXBMFYSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001607084146 1351410984 /nfs/dbraw/zinc/41/09/84/1351410984.db2.gz SYHOWOWXEHPCOW-TXEJJXNPSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001607084146 1351410987 /nfs/dbraw/zinc/41/09/87/1351410987.db2.gz SYHOWOWXEHPCOW-TXEJJXNPSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001607084146 1351410990 /nfs/dbraw/zinc/41/09/90/1351410990.db2.gz SYHOWOWXEHPCOW-TXEJJXNPSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001607084146 1351410992 /nfs/dbraw/zinc/41/09/92/1351410992.db2.gz SYHOWOWXEHPCOW-TXEJJXNPSA-N 0 3 328.376 2.397 20 5 EEBDHN CC(COC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[N+](=O)[O-] ZINC000835456231 1372626304 /nfs/dbraw/zinc/62/63/04/1372626304.db2.gz TYZOGVHZRCLWGL-SSDOTTSWSA-N 0 3 327.243 2.496 20 5 EEBDHN O=c1[nH]c2c(cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000819062383 785407618 /nfs/dbraw/zinc/40/76/18/785407618.db2.gz YMUREQGWSQYJGD-MRXNPFEDSA-N 0 3 329.356 2.007 20 5 EEBDHN C[S@](=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137357 785418708 /nfs/dbraw/zinc/41/87/08/785418708.db2.gz BFZCQMMUQMALPK-MWTRTKDXSA-N 0 3 334.397 2.155 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CN2CCCC2)c1 ZINC001107201542 786351112 /nfs/dbraw/zinc/35/11/12/786351112.db2.gz ULFVLCVIOMUJTP-NSCUHMNNSA-N 0 3 332.404 2.083 20 5 EEBDHN CC([C@@H](OC(=O)CCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879622 789972631 /nfs/dbraw/zinc/97/26/31/789972631.db2.gz YFLZKRLARBKTMT-YVEFUNNKSA-N 0 3 348.330 2.327 20 5 EEBDHN CC([C@H](OC(=O)CN1CCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881844 789973819 /nfs/dbraw/zinc/97/38/19/789973819.db2.gz MIXUVAVSGFMWBP-ZBEGNZNMSA-N 0 3 338.335 2.088 20 5 EEBDHN CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106777484 796515969 /nfs/dbraw/zinc/51/59/69/796515969.db2.gz XFIKWVFOZSCHPZ-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cnccn2)C1 ZINC001173238543 797324794 /nfs/dbraw/zinc/32/47/94/797324794.db2.gz VEDZVOPOPPXQSA-CZUORRHYSA-N 0 3 328.372 2.469 20 5 EEBDHN Cc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001169076225 803605933 /nfs/dbraw/zinc/60/59/33/803605933.db2.gz URWCTQOUOKFREA-UHFFFAOYSA-N 0 3 332.360 2.109 20 5 EEBDHN COc1ccc(C[C@@H](C)n2c(=N)sc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170345386 809916250 /nfs/dbraw/zinc/91/62/50/809916250.db2.gz JPYSSAHKYMXCCH-SNVBAGLBSA-N 0 3 348.428 2.395 20 5 EEBDHN CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055531 529804384 /nfs/dbraw/zinc/80/43/84/529804384.db2.gz OZEBXLYTHDGQPL-SECBINFHSA-N 0 3 342.193 2.039 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000416305626 239175581 /nfs/dbraw/zinc/17/55/81/239175581.db2.gz BPTYQFYOBJVRKV-UHFFFAOYSA-N 0 3 329.303 2.020 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1N(C)CCCC1(C)C ZINC000447807834 242320394 /nfs/dbraw/zinc/32/03/94/242320394.db2.gz RQFFPUXQKKYACR-HNNXBMFYSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@H]1CN(CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542805 243150572 /nfs/dbraw/zinc/15/05/72/243150572.db2.gz AFZWQBIWXHZHRK-RDJZCZTQSA-N 0 3 333.432 2.495 20 5 EEBDHN C[C@@H]1COCCN1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549159 243152514 /nfs/dbraw/zinc/15/25/14/243152514.db2.gz PBLGVRACBIXSIF-NVXWUHKLSA-N 0 3 333.432 2.495 20 5 EEBDHN CC(C)[C@@H](CO)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600441 243171913 /nfs/dbraw/zinc/17/19/13/243171913.db2.gz RTFSPUOTAGQHBI-GDBMZVCRSA-N 0 3 337.420 2.072 20 5 EEBDHN CNc1nc(C(=O)N[C@@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000456016174 244132190 /nfs/dbraw/zinc/13/21/90/244132190.db2.gz HZVGJWLXKWEQEH-LBPRGKRZSA-N 0 3 335.408 2.026 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000111249175 220123262 /nfs/dbraw/zinc/12/32/62/220123262.db2.gz JUIAAUWSUNHEIM-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCN1C ZINC000491986781 246245733 /nfs/dbraw/zinc/24/57/33/246245733.db2.gz NGUWITJSPGOWBD-VXGBXAGGSA-N 0 3 334.376 2.446 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103245 248098335 /nfs/dbraw/zinc/09/83/35/248098335.db2.gz SGYATZCGUONJGY-ZBEGNZNMSA-N 0 3 330.388 2.488 20 5 EEBDHN COC(=O)[C@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091985109 218097726 /nfs/dbraw/zinc/09/77/26/218097726.db2.gz FFSVNLIIEYZVHP-GFCCVEGCSA-N 0 3 346.387 2.236 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000171927317 227367139 /nfs/dbraw/zinc/36/71/39/227367139.db2.gz KZODONHUXYVMHN-CYBMUJFWSA-N 0 3 345.403 2.037 20 5 EEBDHN CN(C)Cc1ccc(-c2noc(CCn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000267101728 256026908 /nfs/dbraw/zinc/02/69/08/256026908.db2.gz WHUCWLWYYQVHEP-UHFFFAOYSA-N 0 3 342.359 2.146 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCSC1 ZINC000267154905 256032887 /nfs/dbraw/zinc/03/28/87/256032887.db2.gz XLNVCDMOFOTQHR-MRXNPFEDSA-N 0 3 348.428 2.243 20 5 EEBDHN Cc1c(CC(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000120864040 292258393 /nfs/dbraw/zinc/25/83/93/292258393.db2.gz ZSVDXDQREZADSJ-MRXNPFEDSA-N 0 3 349.431 2.015 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000255676385 160397859 /nfs/dbraw/zinc/39/78/59/160397859.db2.gz XTCLUBNPTCDQMB-IMMZDGJCSA-N 0 3 331.416 2.262 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000132220188 292398666 /nfs/dbraw/zinc/39/86/66/292398666.db2.gz ACOFDBZIWQMDDS-LBPRGKRZSA-N 0 3 330.388 2.077 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000081995545 159159590 /nfs/dbraw/zinc/15/95/90/159159590.db2.gz MGPSVEGPHSHBLR-UHFFFAOYSA-N 0 3 341.433 2.276 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104530967 159287574 /nfs/dbraw/zinc/28/75/74/159287574.db2.gz LFCZUHNSQAXXRN-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN COC[C@H]1CCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342705234 161084456 /nfs/dbraw/zinc/08/44/56/161084456.db2.gz TVTWSIKGTULXJN-YOEHRIQHSA-N 0 3 347.415 2.449 20 5 EEBDHN CNc1c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342738415 161087063 /nfs/dbraw/zinc/08/70/63/161087063.db2.gz JGLPCWMFXSGDKQ-QWHCGFSZSA-N 0 3 332.404 2.335 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352803243 162293615 /nfs/dbraw/zinc/29/36/15/162293615.db2.gz YGDXLWGCBKHDCT-MFKMUULPSA-N 0 3 339.417 2.273 20 5 EEBDHN CN1CC[C@@]2(CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)C1 ZINC000368304825 166086532 /nfs/dbraw/zinc/08/65/32/166086532.db2.gz QMQLJFBFBLOGJU-GOSISDBHSA-N 0 3 344.415 2.019 20 5 EEBDHN CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000285672084 274772489 /nfs/dbraw/zinc/77/24/89/274772489.db2.gz PZMANNOHIHHYDH-UONOGXRCSA-N 0 3 331.388 2.350 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000288527081 275067111 /nfs/dbraw/zinc/06/71/11/275067111.db2.gz UIRHESCOUUSXHP-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000289095498 275099125 /nfs/dbraw/zinc/09/91/25/275099125.db2.gz RCKPLAFUAIRWRJ-LBPRGKRZSA-N 0 3 337.767 2.004 20 5 EEBDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214392 275395043 /nfs/dbraw/zinc/39/50/43/275395043.db2.gz ONYYLDOTLRPGRD-SUMWQHHRSA-N 0 3 343.383 2.221 20 5 EEBDHN CCCN1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332419739 312004870 /nfs/dbraw/zinc/00/48/70/312004870.db2.gz PUNMJSUXDNVTOM-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000440080450 315110636 /nfs/dbraw/zinc/11/06/36/315110636.db2.gz NVAHVZUNTBWDPI-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN CCN1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448825697 315388369 /nfs/dbraw/zinc/38/83/69/315388369.db2.gz XFIBRAHRGUJGEA-CQSZACIVSA-N 0 3 347.415 2.406 20 5 EEBDHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459545570 315758017 /nfs/dbraw/zinc/75/80/17/315758017.db2.gz SKUGIQKSLOYRBY-INIZCTEOSA-N 0 3 349.431 2.361 20 5 EEBDHN CC(C)n1cc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503340 318159985 /nfs/dbraw/zinc/15/99/85/318159985.db2.gz NDYICHPIOJKPBM-HIFRSBDPSA-N 0 3 348.403 2.463 20 5 EEBDHN CC(C)n1cc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503339 318160010 /nfs/dbraw/zinc/16/00/10/318160010.db2.gz NDYICHPIOJKPBM-DZGCQCFKSA-N 0 3 348.403 2.463 20 5 EEBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004832 319234381 /nfs/dbraw/zinc/23/43/81/319234381.db2.gz FZKYDROBDJRJHY-GJZGRUSLSA-N 0 3 331.372 2.470 20 5 EEBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(Cc2ccccc2)C1 ZINC000566312556 319273860 /nfs/dbraw/zinc/27/38/60/319273860.db2.gz ODWZSTBEFAYMJP-KRWDZBQOSA-N 0 3 328.372 2.317 20 5 EEBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000566451739 319289922 /nfs/dbraw/zinc/28/99/22/319289922.db2.gz DXDLVYZNVXZPHH-UHFFFAOYSA-N 0 3 344.375 2.242 20 5 EEBDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000566451739 319289923 /nfs/dbraw/zinc/28/99/23/319289923.db2.gz DXDLVYZNVXZPHH-UHFFFAOYSA-N 0 3 344.375 2.242 20 5 EEBDHN CC(C)N1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000580873738 324143364 /nfs/dbraw/zinc/14/33/64/324143364.db2.gz FPTCLKSWFBSILF-AWEZNQCLSA-N 0 3 347.415 2.404 20 5 EEBDHN COC(=O)c1ccc(-c2ccc(NCCN(C)C)nc2)c([N+](=O)[O-])c1 ZINC000600784499 449545760 /nfs/dbraw/zinc/54/57/60/449545760.db2.gz LCLUFXISECSOMP-UHFFFAOYSA-N 0 3 344.371 2.417 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000045085828 462557803 /nfs/dbraw/zinc/55/78/03/462557803.db2.gz NWHFKIWELVCVCU-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087304188 462599614 /nfs/dbraw/zinc/59/96/14/462599614.db2.gz ICTXAUUISMXPAR-QGZVFWFLSA-N 0 3 349.431 2.097 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000590688608 468306546 /nfs/dbraw/zinc/30/65/46/468306546.db2.gz WGEYUBJQIQCWAZ-DLBZAZTESA-N 0 3 342.399 2.178 20 5 EEBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000590703700 468312786 /nfs/dbraw/zinc/31/27/86/468312786.db2.gz VUVGDGRXLLYWMW-LBPRGKRZSA-N 0 3 327.388 2.459 20 5 EEBDHN COc1ccccc1C[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550915 462797606 /nfs/dbraw/zinc/79/76/06/462797606.db2.gz HFNSNDFGNMLSGG-AWEZNQCLSA-N 0 3 345.399 2.328 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000156019297 462969224 /nfs/dbraw/zinc/96/92/24/462969224.db2.gz UEEZLJJHCGMHTN-MRXNPFEDSA-N 0 3 330.388 2.064 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133938290 462987277 /nfs/dbraw/zinc/98/72/77/462987277.db2.gz LMHRZZOZBFOFOV-LBPRGKRZSA-N 0 3 328.372 2.309 20 5 EEBDHN CSC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120667957 463024718 /nfs/dbraw/zinc/02/47/18/463024718.db2.gz UTJDYHZODKBZDK-CYBMUJFWSA-N 0 3 336.360 2.400 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000121984643 463227943 /nfs/dbraw/zinc/22/79/43/463227943.db2.gz ODKBNDBWDZUCLX-MCIONIFRSA-N 0 3 334.420 2.384 20 5 EEBDHN Cc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105905134 463495637 /nfs/dbraw/zinc/49/56/37/463495637.db2.gz MTODUMUILGLBKA-HNNXBMFYSA-N 0 3 327.388 2.452 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(C2CC2)CC1 ZINC000283710615 463980813 /nfs/dbraw/zinc/98/08/13/463980813.db2.gz WTXKOGLPAVJWNH-UHFFFAOYSA-N 0 3 331.416 2.470 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262725298 464038973 /nfs/dbraw/zinc/03/89/73/464038973.db2.gz GYNIOFBXBSCAPF-CHWSQXEVSA-N 0 3 332.404 2.017 20 5 EEBDHN CSC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276715 464181619 /nfs/dbraw/zinc/18/16/19/464181619.db2.gz BLODZKXLVMTDFR-HIFRSBDPSA-N 0 3 340.445 2.410 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCCCCC2)n1 ZINC000343005312 465447638 /nfs/dbraw/zinc/44/76/38/465447638.db2.gz BNMBFXYFJPWDER-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292651013 464299417 /nfs/dbraw/zinc/29/94/17/464299417.db2.gz XSJJSNAZDHDPDQ-GOSISDBHSA-N 0 3 331.416 2.427 20 5 EEBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174819182 464454815 /nfs/dbraw/zinc/45/48/15/464454815.db2.gz GPJNOIJWELHARQ-HNNXBMFYSA-N 0 3 346.387 2.343 20 5 EEBDHN CN1CC=C(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272169465 464504126 /nfs/dbraw/zinc/50/41/26/464504126.db2.gz IZUMKTJBZRFWMG-UHFFFAOYSA-N 0 3 325.315 2.065 20 5 EEBDHN COc1cc(CNC[C@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353643 464575264 /nfs/dbraw/zinc/57/52/64/464575264.db2.gz DOFATMRYLMKCHA-LBPRGKRZSA-N 0 3 348.346 2.354 20 5 EEBDHN CC[N@H+](CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272449967 464614027 /nfs/dbraw/zinc/61/40/27/464614027.db2.gz CECXPPCMDYAUOD-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN CC[N@@H+](CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272449967 464614032 /nfs/dbraw/zinc/61/40/32/464614032.db2.gz CECXPPCMDYAUOD-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN CCN(CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272449967 464614037 /nfs/dbraw/zinc/61/40/37/464614037.db2.gz CECXPPCMDYAUOD-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN Cc1n[nH]c(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000272450317 464614695 /nfs/dbraw/zinc/61/46/95/464614695.db2.gz SMDCFBUTDXCVTI-UHFFFAOYSA-N 0 3 344.400 2.477 20 5 EEBDHN Cc1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000272450317 464614700 /nfs/dbraw/zinc/61/47/00/464614700.db2.gz SMDCFBUTDXCVTI-UHFFFAOYSA-N 0 3 344.400 2.477 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1n[nH]c(C2CC2)n1 ZINC000294871975 464633271 /nfs/dbraw/zinc/63/32/71/464633271.db2.gz UUQRGKXJFSBWCI-JTQLQIEISA-N 0 3 344.375 2.097 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408612 464647797 /nfs/dbraw/zinc/64/77/97/464647797.db2.gz XVUGTLPWFCMIJE-IUODEOHRSA-N 0 3 332.356 2.391 20 5 EEBDHN Cc1cccc2c1CC(C)(C)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000295191181 464739022 /nfs/dbraw/zinc/73/90/22/464739022.db2.gz JKXVWTPIGCRWFV-INIZCTEOSA-N 0 3 344.415 2.298 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000248884420 464814857 /nfs/dbraw/zinc/81/48/57/464814857.db2.gz UEVVBNDIAKBMBD-JSGCOSHPSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282542046 464859021 /nfs/dbraw/zinc/85/90/21/464859021.db2.gz RNCBNKVEANXACG-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519822 465648921 /nfs/dbraw/zinc/64/89/21/465648921.db2.gz GCTFGLMHVGUDJW-JQWIXIFHSA-N 0 3 329.303 2.283 20 5 EEBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000340137912 465802990 /nfs/dbraw/zinc/80/29/90/465802990.db2.gz TUYKHMYXNFXJHY-UHFFFAOYSA-N 0 3 346.391 2.039 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000349200162 466018098 /nfs/dbraw/zinc/01/80/98/466018098.db2.gz GVEZXZFGGONAMT-UONOGXRCSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331912111 466302690 /nfs/dbraw/zinc/30/26/90/466302690.db2.gz IECDFAOUCBJKFO-GFCCVEGCSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808890 466596938 /nfs/dbraw/zinc/59/69/38/466596938.db2.gz VNHYWPXDSMRJGU-PJODQICGSA-N 0 3 333.388 2.387 20 5 EEBDHN CN1CCNC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531256 466768368 /nfs/dbraw/zinc/76/83/68/466768368.db2.gz ZSKSFJFXGYBZIW-OALUTQOASA-N 0 3 340.427 2.177 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000373391099 466788841 /nfs/dbraw/zinc/78/88/41/466788841.db2.gz HOUKQRJRVHSRKS-OAHLLOKOSA-N 0 3 327.388 2.709 20 5 EEBDHN O=C(C[C@H]1CSCCN1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423722625 466813955 /nfs/dbraw/zinc/81/39/55/466813955.db2.gz KGWPYOWZBBRXOD-ZDUSSCGKSA-N 0 3 335.429 2.181 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2CCN[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417719807 466916065 /nfs/dbraw/zinc/91/60/65/466916065.db2.gz QPEXUPVJPVDEJW-KBPBESRZSA-N 0 3 349.435 2.097 20 5 EEBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1F ZINC000424043531 466961946 /nfs/dbraw/zinc/96/19/46/466961946.db2.gz YUDMCFOUYZVJOW-CMPLNLGQSA-N 0 3 335.360 2.362 20 5 EEBDHN C[C@H](CO)N1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432172105 467221363 /nfs/dbraw/zinc/22/13/63/467221363.db2.gz KBYGJZVLOAIXIJ-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN Cc1cc(F)ccc1[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976549 467292913 /nfs/dbraw/zinc/29/29/13/467292913.db2.gz YORXCMMQYZHUNR-NVXWUHKLSA-N 0 3 348.378 2.437 20 5 EEBDHN CN(CCCNC(=O)C1CCC1)CCOc1ccccc1[N+](=O)[O-] ZINC000429549416 467345399 /nfs/dbraw/zinc/34/53/99/467345399.db2.gz TVHQWTIRLHUSQY-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CN(C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1cccs1 ZINC000420586938 467429752 /nfs/dbraw/zinc/42/97/52/467429752.db2.gz PAGYZZFNHQOJRB-LBPRGKRZSA-N 0 3 334.401 2.470 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000452969400 467448686 /nfs/dbraw/zinc/44/86/86/467448686.db2.gz DKTXFVGOMQEHHV-RNCFNFMXSA-N 0 3 343.305 2.390 20 5 EEBDHN CC(C)c1nc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000453289758 467477519 /nfs/dbraw/zinc/47/75/19/467477519.db2.gz MOIDYBFWYYYXGH-NEPJUHHUSA-N 0 3 333.396 2.306 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415293151 467536880 /nfs/dbraw/zinc/53/68/80/467536880.db2.gz IIFPMYSYCUWFNL-NWDGAFQWSA-N 0 3 336.392 2.446 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000449530018 467659158 /nfs/dbraw/zinc/65/91/58/467659158.db2.gz BNSIRENDRRUNNB-ODEWBEPCSA-N 0 3 333.432 2.385 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000455363883 467670731 /nfs/dbraw/zinc/67/07/31/467670731.db2.gz UNFLTZWWGDYMDE-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN Cc1nn(CCC(=O)Nc2ccc3c(c2)CNC3)c(C)c1[N+](=O)[O-] ZINC000449666613 467683318 /nfs/dbraw/zinc/68/33/18/467683318.db2.gz DTVMOIISTXJQRL-UHFFFAOYSA-N 0 3 329.360 2.040 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450547609 467868778 /nfs/dbraw/zinc/86/87/78/467868778.db2.gz ODPRQZBTASNWLJ-GFCCVEGCSA-N 0 3 348.403 2.087 20 5 EEBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283034 468042008 /nfs/dbraw/zinc/04/20/08/468042008.db2.gz SEIYFAGHUSSHSO-OTYXRUKQSA-N 0 3 327.768 2.344 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488036518 468068472 /nfs/dbraw/zinc/06/84/72/468068472.db2.gz RPBNPIIPGMOKHK-SWLSCSKDSA-N 0 3 335.404 2.331 20 5 EEBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000531775596 468074315 /nfs/dbraw/zinc/07/43/15/468074315.db2.gz ICRPPYATHJSNTG-UHFFFAOYSA-N 0 3 346.387 2.434 20 5 EEBDHN NC(=O)Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000589320696 468143627 /nfs/dbraw/zinc/14/36/27/468143627.db2.gz DYIWLHAACVOSKN-HYXAFXHYSA-N 0 3 325.368 2.426 20 5 EEBDHN CN(C)CCn1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000590032890 468206274 /nfs/dbraw/zinc/20/62/74/468206274.db2.gz HNVXNPYJHRFIOI-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594215683 468515360 /nfs/dbraw/zinc/51/53/60/468515360.db2.gz STXBCCJLUGEHTL-GOEBONIOSA-N 0 3 332.404 2.411 20 5 EEBDHN COC(=O)c1cnc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599330 468631835 /nfs/dbraw/zinc/63/18/35/468631835.db2.gz JELZCMQHSRAJCT-QWHCGFSZSA-N 0 3 334.376 2.205 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCCN3)s2)cc1 ZINC000600776062 468654301 /nfs/dbraw/zinc/65/43/01/468654301.db2.gz OIBUVOUKJBHDKA-ZDUSSCGKSA-N 0 3 333.413 2.401 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000601188214 468775411 /nfs/dbraw/zinc/77/54/11/468775411.db2.gz DPOFIUHCIBCZNU-GFCCVEGCSA-N 0 3 336.392 2.005 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000595536701 468891819 /nfs/dbraw/zinc/89/18/19/468891819.db2.gz SYDSLAYZOCWDRK-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000610575793 469006486 /nfs/dbraw/zinc/00/64/86/469006486.db2.gz WIEXYZAFPXKWET-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000595783358 469008548 /nfs/dbraw/zinc/00/85/48/469008548.db2.gz MXOBDSMJHZPZCH-INIZCTEOSA-N 0 3 335.404 2.038 20 5 EEBDHN CN(CCOC(C)(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610859873 469093804 /nfs/dbraw/zinc/09/38/04/469093804.db2.gz RYMUGQBKTMWNPT-AWEZNQCLSA-N 0 3 326.393 2.081 20 5 EEBDHN Cc1nc(C)c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000562996061 469128663 /nfs/dbraw/zinc/12/86/63/469128663.db2.gz OFQZMWYCQPANLG-GFCCVEGCSA-N 0 3 337.401 2.198 20 5 EEBDHN CC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596087245 469149573 /nfs/dbraw/zinc/14/95/73/469149573.db2.gz JHDYCIIVOLMHKH-UHFFFAOYSA-N 0 3 334.420 2.252 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCC(C)CC2)n1 ZINC000596487956 469281979 /nfs/dbraw/zinc/28/19/79/469281979.db2.gz MGTUVUIOLGVCGH-GFCCVEGCSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1c(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596636393 469318050 /nfs/dbraw/zinc/31/80/50/469318050.db2.gz VCMSWLVKUWDGHO-AWEZNQCLSA-N 0 3 348.403 2.278 20 5 EEBDHN CN(C)[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000602563959 469362188 /nfs/dbraw/zinc/36/21/88/469362188.db2.gz JMRHENBXVCTBHO-HNNXBMFYSA-N 0 3 336.417 2.263 20 5 EEBDHN CC1([C@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183865511 528058106 /nfs/dbraw/zinc/05/81/06/528058106.db2.gz YPNIIWZXZIFFGI-HOCLYGCPSA-N 0 3 336.388 2.103 20 5 EEBDHN CCN1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000132370437 529023908 /nfs/dbraw/zinc/02/39/08/529023908.db2.gz ADNRYTZBYJEIGT-UHFFFAOYSA-N 0 3 330.388 2.173 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153601402 529148694 /nfs/dbraw/zinc/14/86/94/529148694.db2.gz LJJVDYGVCPONSR-GFCCVEGCSA-N 0 3 341.843 2.329 20 5 EEBDHN CC(C)N(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1COC1 ZINC000451118572 535056135 /nfs/dbraw/zinc/05/61/35/535056135.db2.gz BCIZYNNRXPVRIQ-UHFFFAOYSA-N 0 3 335.360 2.002 20 5 EEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451776060 535547961 /nfs/dbraw/zinc/54/79/61/535547961.db2.gz SUHQZAGBALFULF-DFBGVHRSSA-N 0 3 349.387 2.243 20 5 EEBDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451740044 536140911 /nfs/dbraw/zinc/14/09/11/536140911.db2.gz KXGXJRHJDLTCFE-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](C)(O)c1ccco1 ZINC000766180829 577514314 /nfs/dbraw/zinc/51/43/14/577514314.db2.gz ANNOGTBBANUVEY-PXAZEXFGSA-N 0 3 347.371 2.402 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770010285 577588970 /nfs/dbraw/zinc/58/89/70/577588970.db2.gz RGDPWHXCPNGBFY-UHFFFAOYSA-N 0 3 344.799 2.290 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000748432860 577961659 /nfs/dbraw/zinc/96/16/59/577961659.db2.gz CQCKEJHPBHBBJF-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN COc1ccc(OCCNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749663412 577979535 /nfs/dbraw/zinc/97/95/35/577979535.db2.gz FBNDPBJUEKYSCS-KRWDZBQOSA-N 0 3 332.356 2.305 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000741723722 578123137 /nfs/dbraw/zinc/12/31/37/578123137.db2.gz ZAMIVCCFCIPNAM-UONOGXRCSA-N 0 3 346.431 2.408 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CN(C)CCN1C ZINC000872036685 1198032165 /nfs/dbraw/zinc/03/21/65/1198032165.db2.gz VFQSJPQCHZKGKE-GXTWGEPZSA-N 0 3 338.477 2.213 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc[nH]c1C1CC1 ZINC001132968655 1200237943 /nfs/dbraw/zinc/23/79/43/1200237943.db2.gz LKPUVAUXMQGSHB-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN COCCOc1cc(C(=O)OCC(C)[N+](=O)[O-])nc2ccccc21 ZINC000813099893 1201095945 /nfs/dbraw/zinc/09/59/45/1201095945.db2.gz GMYQGUAXYMFSER-LLVKDONJSA-N 0 3 334.328 2.082 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000868607108 1201844743 /nfs/dbraw/zinc/84/47/43/1201844743.db2.gz MOOBCBVVJXUWAW-GFCCVEGCSA-N 0 3 335.379 2.219 20 5 EEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924476424 1205982020 /nfs/dbraw/zinc/98/20/20/1205982020.db2.gz SYQVMOCAKJXXEG-IUODEOHRSA-N 0 3 346.387 2.062 20 5 EEBDHN C[C@]12CCN(CC[N+](=O)[O-])C[C@H]1C2(Br)Br ZINC000930925911 1206593446 /nfs/dbraw/zinc/59/34/46/1206593446.db2.gz OHVJBZXZZJZNID-SFYZADRCSA-N 0 3 342.031 2.091 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCCC1 ZINC000778248663 1207965220 /nfs/dbraw/zinc/96/52/20/1207965220.db2.gz WWFVEPWZHDFWME-JTQLQIEISA-N 0 3 349.416 2.204 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NC1CCN(C)CC1 ZINC000800828214 1234632328 /nfs/dbraw/zinc/63/23/28/1234632328.db2.gz LKIXZSIKIYJNOX-UHFFFAOYSA-N 0 3 336.461 2.038 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096110589 1234954962 /nfs/dbraw/zinc/95/49/62/1234954962.db2.gz HGECANLCUKFJLC-UHFFFAOYSA-N 0 3 348.447 2.362 20 5 EEBDHN CCN(CC)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096110841 1234980047 /nfs/dbraw/zinc/98/00/47/1234980047.db2.gz PBNAVACTFUNIDO-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN C/C=C(\C)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048754817 1238527838 /nfs/dbraw/zinc/52/78/38/1238527838.db2.gz VVUZMVSAHPTGGZ-NVAVRXRDSA-N 0 3 329.400 2.451 20 5 EEBDHN O=C(CN1CCCC1)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001057334758 1243338451 /nfs/dbraw/zinc/33/84/51/1243338451.db2.gz BQOAQIWLDJMRBX-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN CC(C)N1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363741 1302747750 /nfs/dbraw/zinc/74/77/50/1302747750.db2.gz FRSSFGDFJAYFLZ-LBPRGKRZSA-N 0 3 332.360 2.495 20 5 EEBDHN Cc1noc(C)c1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233811688 1304601921 /nfs/dbraw/zinc/60/19/21/1304601921.db2.gz IZJIJNYMIAGIRL-UHFFFAOYSA-N 0 3 346.387 2.452 20 5 EEBDHN N[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1(F)F ZINC001246579607 1310349325 /nfs/dbraw/zinc/34/93/25/1310349325.db2.gz CJMBNLHPRXUCBN-HNNXBMFYSA-N 0 3 340.374 2.232 20 5 EEBDHN COc1ncccc1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249342437 1317056930 /nfs/dbraw/zinc/05/69/30/1317056930.db2.gz LXYXIQJFCYZILU-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824441 1317749624 /nfs/dbraw/zinc/74/96/24/1317749624.db2.gz PQHVYJHHBRKCNO-SMDDNHRTSA-N 0 3 326.784 2.356 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC001155854309 1317765427 /nfs/dbraw/zinc/76/54/27/1317765427.db2.gz AJGKLUDQVVWADH-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC001156086545 1317870692 /nfs/dbraw/zinc/87/06/92/1317870692.db2.gz ISALMWUMNNSXRB-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN Cc1ccnc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612153 1318146137 /nfs/dbraw/zinc/14/61/37/1318146137.db2.gz VKNKWIHBVJKAJB-IRXDYDNUSA-N 0 3 340.383 2.314 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160338882 1320138857 /nfs/dbraw/zinc/13/88/57/1320138857.db2.gz MBSUDEQOQOQOTE-UHFFFAOYSA-N 0 3 335.327 2.178 20 5 EEBDHN O=C(CCc1cncs1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166751402 1321781378 /nfs/dbraw/zinc/78/13/78/1321781378.db2.gz QKRKBMVKLJNKKI-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001308079558 1331563504 /nfs/dbraw/zinc/56/35/04/1331563504.db2.gz LWGQLEAULRHDRL-AWEZNQCLSA-N 0 3 346.431 2.482 20 5 EEBDHN CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609223184 1351900529 /nfs/dbraw/zinc/90/05/29/1351900529.db2.gz XSBDXXQHNRCUMJ-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609223184 1351900531 /nfs/dbraw/zinc/90/05/31/1351900531.db2.gz XSBDXXQHNRCUMJ-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480934 1336382772 /nfs/dbraw/zinc/38/27/72/1336382772.db2.gz DBNCLHXAKWRWAQ-LYRGGWFBSA-N 0 3 334.372 2.356 20 5 EEBDHN O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593477844 1349811044 /nfs/dbraw/zinc/81/10/44/1349811044.db2.gz GWIAVEBNLUWUCN-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593477844 1349811050 /nfs/dbraw/zinc/81/10/50/1349811050.db2.gz GWIAVEBNLUWUCN-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN N[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000853248693 1369324667 /nfs/dbraw/zinc/32/46/67/1369324667.db2.gz XFJICCMDHPHZKN-GHMZBOCLSA-N 0 3 332.173 2.228 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111811503 1371259247 /nfs/dbraw/zinc/25/92/47/1371259247.db2.gz XILZZZSVXVLFOO-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000840252605 782458283 /nfs/dbraw/zinc/45/82/83/782458283.db2.gz XSUJRRTZDHHLOJ-KOLCDFICSA-N 0 3 346.309 2.284 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001105415223 783184208 /nfs/dbraw/zinc/18/42/08/783184208.db2.gz IJURLKJUVCZDRH-UHFFFAOYSA-N 0 3 336.436 2.138 20 5 EEBDHN COCC(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035145168 783895982 /nfs/dbraw/zinc/89/59/82/783895982.db2.gz YQDKJXNXHPNSFO-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN CC(COC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000817739596 784943500 /nfs/dbraw/zinc/94/35/00/784943500.db2.gz NBWOMKDVNSNIFM-JTQLQIEISA-N 0 3 333.319 2.322 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000817907121 785061398 /nfs/dbraw/zinc/06/13/98/785061398.db2.gz KFLIPCKYFNUCOQ-GJZGRUSLSA-N 0 3 325.796 2.105 20 5 EEBDHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc([N+](=O)[O-])c1C ZINC000923269361 789259353 /nfs/dbraw/zinc/25/93/53/789259353.db2.gz KVHICBFFJMETQT-KGLIPLIRSA-N 0 3 333.388 2.221 20 5 EEBDHN CC([C@H](OC(=O)COC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845876696 789972139 /nfs/dbraw/zinc/97/21/39/789972139.db2.gz NWAXQAJVLUJBEN-HSMVNMDESA-N 0 3 341.335 2.271 20 5 EEBDHN O=C(NCC1=CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000676182 796129951 /nfs/dbraw/zinc/12/99/51/796129951.db2.gz ZHRBLMTWVOZBJK-HZPDHXFCSA-N 0 3 349.818 2.254 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153655729 796328713 /nfs/dbraw/zinc/32/87/13/796328713.db2.gz ADGGSFLUJUZBLR-INIZCTEOSA-N 0 3 344.419 2.083 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc3c2CNCC3)c1F ZINC001173179334 797278933 /nfs/dbraw/zinc/27/89/33/797278933.db2.gz DQTQGHAUEPRMDP-JTQLQIEISA-N 0 3 334.351 2.388 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ncccn2)C1 ZINC001173236689 797322277 /nfs/dbraw/zinc/32/22/77/797322277.db2.gz FBHXURRDULLSIM-XJKSGUPXSA-N 0 3 328.372 2.469 20 5 EEBDHN COc1ccccc1CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030276 803576907 /nfs/dbraw/zinc/57/69/07/803576907.db2.gz XUEHQYLRRSALCJ-NVXWUHKLSA-N 0 3 333.432 2.258 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3nccc4occc43)CC2)C1 ZINC001169038353 803582224 /nfs/dbraw/zinc/58/22/24/803582224.db2.gz YHGBGVAUJOIEQR-ZIAGYGMSSA-N 0 3 330.388 2.395 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ncoc1C1CC1 ZINC001170172208 809809214 /nfs/dbraw/zinc/80/92/14/809809214.db2.gz ROJWLFPTWWROBV-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000416308915 239174056 /nfs/dbraw/zinc/17/40/56/239174056.db2.gz SIPZPWPZUSBYHB-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000426888671 241352897 /nfs/dbraw/zinc/35/28/97/241352897.db2.gz IZEKJVCLQPNHLN-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740666 245231785 /nfs/dbraw/zinc/23/17/85/245231785.db2.gz BMBGORQRGGLULP-LSDHHAIUSA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000492072062 246287224 /nfs/dbraw/zinc/28/72/24/246287224.db2.gz HZPPUFXCSKGLSX-HSUNPXRSSA-N 0 3 333.363 2.489 20 5 EEBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265020586 247139959 /nfs/dbraw/zinc/13/99/59/247139959.db2.gz DXJFFOBREUTVID-SNVBAGLBSA-N 0 3 337.767 2.062 20 5 EEBDHN C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521105 248342762 /nfs/dbraw/zinc/34/27/62/248342762.db2.gz CPNGUUVVCUEBIG-IAQYHMDHSA-N 0 3 338.795 2.499 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000267988854 256102666 /nfs/dbraw/zinc/10/26/66/256102666.db2.gz PRJVPOXGPUWMIL-TZMCWYRMSA-N 0 3 342.399 2.291 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268002626 256103979 /nfs/dbraw/zinc/10/39/79/256103979.db2.gz IRUOLFIDZQFPAN-CVEARBPZSA-N 0 3 346.431 2.406 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268044054 256107966 /nfs/dbraw/zinc/10/79/66/256107966.db2.gz ZDHRVMTUOCAJHI-DZGCQCFKSA-N 0 3 334.420 2.119 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268133063 256117531 /nfs/dbraw/zinc/11/75/31/256117531.db2.gz BBOKEXDSGIGJDR-CQSZACIVSA-N 0 3 331.372 2.222 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273499912 256302083 /nfs/dbraw/zinc/30/20/83/256302083.db2.gz LYTUUOFZFYJWOW-LSDHHAIUSA-N 0 3 335.429 2.247 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356588599 141022291 /nfs/dbraw/zinc/02/22/91/141022291.db2.gz AQPBPAYFYWTQJK-UHFFFAOYSA-N 0 3 348.447 2.085 20 5 EEBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000173868563 152204089 /nfs/dbraw/zinc/20/40/89/152204089.db2.gz VEGCUGZSZHOYDN-HNNXBMFYSA-N 0 3 348.447 2.268 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389129 154174657 /nfs/dbraw/zinc/17/46/57/154174657.db2.gz FULRDBAIAFUYAK-YOEHRIQHSA-N 0 3 349.387 2.089 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000130737583 292378304 /nfs/dbraw/zinc/37/83/04/292378304.db2.gz CJTCBTZUTQSMNU-UHFFFAOYSA-N 0 3 328.372 2.290 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000342168957 161045155 /nfs/dbraw/zinc/04/51/55/161045155.db2.gz WMKNUGMQIDNMPX-UHFFFAOYSA-N 0 3 348.447 2.365 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499978 161070150 /nfs/dbraw/zinc/07/01/50/161070150.db2.gz OSHRQNAHIPURON-BLLLJJGKSA-N 0 3 342.399 2.148 20 5 EEBDHN CCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000343633937 161153211 /nfs/dbraw/zinc/15/32/11/161153211.db2.gz FGAZILIETWVBLQ-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000344233931 161209626 /nfs/dbraw/zinc/20/96/26/161209626.db2.gz CXONQUVLIWAMLF-LRDDRELGSA-N 0 3 332.404 2.145 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000344425193 161226384 /nfs/dbraw/zinc/22/63/84/161226384.db2.gz VIFWDFHUWALKAW-ZIAGYGMSSA-N 0 3 334.420 2.315 20 5 EEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C ZINC000355000202 163046356 /nfs/dbraw/zinc/04/63/56/163046356.db2.gz MZQWYTYASMEZJT-ABAIWWIYSA-N 0 3 331.376 2.048 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000274835045 269060652 /nfs/dbraw/zinc/06/06/52/269060652.db2.gz SDDZTXBMSZAVND-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000275258595 269105361 /nfs/dbraw/zinc/10/53/61/269105361.db2.gz RPXRYPMOGQYWPE-DZGCQCFKSA-N 0 3 337.376 2.089 20 5 EEBDHN CN(C)C1(CN(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1 ZINC000275770020 269140671 /nfs/dbraw/zinc/14/06/71/269140671.db2.gz DHQYFSIRAPWLAM-UHFFFAOYSA-N 0 3 349.416 2.156 20 5 EEBDHN COc1cc(CNCCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000279354781 269273624 /nfs/dbraw/zinc/27/36/24/269273624.db2.gz GMPONAXVQYTDOT-JTQLQIEISA-N 0 3 348.346 2.498 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184115 269335836 /nfs/dbraw/zinc/33/58/36/269335836.db2.gz AJSOKZCKOUBRIU-QEJZJMRPSA-N 0 3 338.404 2.289 20 5 EEBDHN CSc1ccccc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000280428479 269361360 /nfs/dbraw/zinc/36/13/60/269361360.db2.gz MHGHGJAKPYGXMJ-AWEZNQCLSA-N 0 3 336.417 2.006 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000280852826 269393802 /nfs/dbraw/zinc/39/38/02/269393802.db2.gz CQVFZEZRMGDORF-PBHICJAKSA-N 0 3 347.415 2.225 20 5 EEBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451633160 274063218 /nfs/dbraw/zinc/06/32/18/274063218.db2.gz PRFWQORDXIDARA-DGCLKSJQSA-N 0 3 327.768 2.344 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000266200683 274118425 /nfs/dbraw/zinc/11/84/25/274118425.db2.gz DHPRWAJWTBEVKC-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000287198093 274944105 /nfs/dbraw/zinc/94/41/05/274944105.db2.gz HZKYXSOTIUNTHY-UHFFFAOYSA-N 0 3 335.404 2.308 20 5 EEBDHN CCCN(CCN1CCCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000290742989 275235149 /nfs/dbraw/zinc/23/51/49/275235149.db2.gz XPQHAANXQKGKAF-UHFFFAOYSA-N 0 3 337.424 2.355 20 5 EEBDHN CCCN(CCN1CCCCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000290742989 275235150 /nfs/dbraw/zinc/23/51/50/275235150.db2.gz XPQHAANXQKGKAF-UHFFFAOYSA-N 0 3 337.424 2.355 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152434789 277017482 /nfs/dbraw/zinc/01/74/82/277017482.db2.gz KOZUKFAFUHNUSX-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN COC(=O)Cc1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297143156 294162710 /nfs/dbraw/zinc/16/27/10/294162710.db2.gz NTUKONNRMNJJHM-OAHLLOKOSA-N 0 3 347.415 2.375 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187750 300232111 /nfs/dbraw/zinc/23/21/11/300232111.db2.gz UZDMYTROBJCUCU-WFASDCNBSA-N 0 3 332.404 2.219 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000332488981 312015175 /nfs/dbraw/zinc/01/51/75/312015175.db2.gz ODHCXERDXVXJES-ZBFHGGJFSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCOC1 ZINC000355374580 312395210 /nfs/dbraw/zinc/39/52/10/312395210.db2.gz VJDQEBFLFMIJKR-XEZPLFJOSA-N 0 3 333.388 2.105 20 5 EEBDHN C[C@@]1(F)CNCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414768059 313082240 /nfs/dbraw/zinc/08/22/40/313082240.db2.gz KYLXRQFVKXEPIP-CQSZACIVSA-N 0 3 333.310 2.330 20 5 EEBDHN C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)CN1 ZINC000414957113 313115211 /nfs/dbraw/zinc/11/52/11/313115211.db2.gz VSUPAPLHFHSUMN-IUCAKERBSA-N 0 3 344.318 2.410 20 5 EEBDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000452079257 315491211 /nfs/dbraw/zinc/49/12/11/315491211.db2.gz FQTVOELDCLMTRC-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN COCCN(C)CC[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000505569653 316363414 /nfs/dbraw/zinc/36/34/14/316363414.db2.gz ACFZXBMXCRXSTR-HNNXBMFYSA-N 0 3 347.419 2.450 20 5 EEBDHN CN(C)[C@@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCSC1 ZINC000531359797 317789631 /nfs/dbraw/zinc/78/96/31/317789631.db2.gz HITDSNBNDLKPRC-OAHLLOKOSA-N 0 3 349.416 2.093 20 5 EEBDHN Cc1nccn1CCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535765370 317980724 /nfs/dbraw/zinc/98/07/24/317980724.db2.gz LJILMNNWDXGMKO-UHFFFAOYSA-N 0 3 344.419 2.097 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(F)c(F)c2)c1 ZINC000560860163 318816225 /nfs/dbraw/zinc/81/62/25/318816225.db2.gz PNSIVLXUGQHUCV-ZDUSSCGKSA-N 0 3 338.310 2.403 20 5 EEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1N(C)C ZINC000565230559 319164707 /nfs/dbraw/zinc/16/47/07/319164707.db2.gz SVMRSHYTXUESDM-CHWSQXEVSA-N 0 3 340.449 2.259 20 5 EEBDHN C[C@]1(F)CNCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000576403493 320168915 /nfs/dbraw/zinc/16/89/15/320168915.db2.gz VMQOYXQJECNCLY-KRWDZBQOSA-N 0 3 348.378 2.426 20 5 EEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000580733702 324120558 /nfs/dbraw/zinc/12/05/58/324120558.db2.gz UCNHZDXVZBFFEL-ZDUSSCGKSA-N 0 3 345.403 2.418 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354630685 465064953 /nfs/dbraw/zinc/06/49/53/465064953.db2.gz VTOIUIQQVKXDKR-STQMWFEESA-N 0 3 341.433 2.088 20 5 EEBDHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153158621 462621076 /nfs/dbraw/zinc/62/10/76/462621076.db2.gz LSIQBPBBZIYZML-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN CC(C)(CO)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000590689922 468308288 /nfs/dbraw/zinc/30/82/88/468308288.db2.gz LOYDUSFCDGKHFJ-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cnn(C)c1 ZINC000130477765 462758309 /nfs/dbraw/zinc/75/83/09/462758309.db2.gz VZINIOWLMQPART-JTQLQIEISA-N 0 3 335.339 2.147 20 5 EEBDHN C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000093332892 463028235 /nfs/dbraw/zinc/02/82/35/463028235.db2.gz IPWGEADHUAIMHS-WFASDCNBSA-N 0 3 331.372 2.495 20 5 EEBDHN Cc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104755751 463421356 /nfs/dbraw/zinc/42/13/56/463421356.db2.gz ZJTRSHUYXRABDB-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000058161990 463546901 /nfs/dbraw/zinc/54/69/01/463546901.db2.gz OUSBVKVUHWAQEP-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1OC ZINC000276997948 463836187 /nfs/dbraw/zinc/83/61/87/463836187.db2.gz NXKPFGOFCIRZHR-OCCSQVGLSA-N 0 3 337.376 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)C(C)C ZINC000178729064 463954455 /nfs/dbraw/zinc/95/44/55/463954455.db2.gz DABJTRBIVNUACZ-UHFFFAOYSA-N 0 3 338.408 2.085 20 5 EEBDHN CN1CCN(C)[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957834 464015382 /nfs/dbraw/zinc/01/53/82/464015382.db2.gz BBSIMBKZIXSFIV-WMLDXEAASA-N 0 3 332.448 2.153 20 5 EEBDHN C[C@H](c1ccccc1)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270805 464180369 /nfs/dbraw/zinc/18/03/69/464180369.db2.gz SDROUOFKQPWSAV-DYVFJYSZSA-N 0 3 343.383 2.221 20 5 EEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1 ZINC000237482889 464327604 /nfs/dbraw/zinc/32/76/04/464327604.db2.gz UJHOGZVNTGVJJD-BDAKNGLRSA-N 0 3 342.193 2.180 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000245430137 464480362 /nfs/dbraw/zinc/48/03/62/464480362.db2.gz ACIKNCVFPJXTEW-NVXWUHKLSA-N 0 3 342.399 2.080 20 5 EEBDHN Cc1ccc(CN(CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000181983116 464545467 /nfs/dbraw/zinc/54/54/67/464545467.db2.gz PRPNYEWVHVJJKM-GOSISDBHSA-N 0 3 330.384 2.431 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460861 464620338 /nfs/dbraw/zinc/62/03/38/464620338.db2.gz OMHIDUWOJBJADV-ZENOOKHLSA-N 0 3 332.404 2.391 20 5 EEBDHN CC(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000272550915 464656945 /nfs/dbraw/zinc/65/69/45/464656945.db2.gz WNVMGYXPXICBLX-AWEZNQCLSA-N 0 3 327.812 2.493 20 5 EEBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170207 464730498 /nfs/dbraw/zinc/73/04/98/464730498.db2.gz RPPITLUZRLEWNY-ZJUUUORDSA-N 0 3 337.351 2.098 20 5 EEBDHN COc1cc(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191256403 464809143 /nfs/dbraw/zinc/80/91/43/464809143.db2.gz XBEYWWJZLSCJTO-UHFFFAOYSA-N 0 3 335.404 2.326 20 5 EEBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000248876284 464813208 /nfs/dbraw/zinc/81/32/08/464813208.db2.gz QUWICSMAZFSXCI-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN O=c1[nH]c(NC2CCN(C3CC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286214088 464841193 /nfs/dbraw/zinc/84/11/93/464841193.db2.gz SKMVZAGLZKRWGV-UHFFFAOYSA-N 0 3 329.360 2.282 20 5 EEBDHN CN(C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355912 464902078 /nfs/dbraw/zinc/90/20/78/464902078.db2.gz VBEXWWWSPJQKRM-RYUDHWBXSA-N 0 3 341.433 2.283 20 5 EEBDHN CC[C@@H]1C[C@@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387435 465340105 /nfs/dbraw/zinc/34/01/05/465340105.db2.gz GAUNSEZOWQTWFB-OLMNPRSZSA-N 0 3 344.415 2.376 20 5 EEBDHN CCOc1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000356798599 465546756 /nfs/dbraw/zinc/54/67/56/465546756.db2.gz WHAKIOGOUGXRON-DZGCQCFKSA-N 0 3 325.434 2.475 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299225282 465653357 /nfs/dbraw/zinc/65/33/57/465653357.db2.gz ABCUTTGYUXFSNL-SNVBAGLBSA-N 0 3 344.318 2.412 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000299241492 465661762 /nfs/dbraw/zinc/66/17/62/465661762.db2.gz XDBBIMOHHFUBLB-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356980241 465675468 /nfs/dbraw/zinc/67/54/68/465675468.db2.gz OTWVWEMDIPWESO-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287602 465985910 /nfs/dbraw/zinc/98/59/10/465985910.db2.gz BRXGYOFJXQEQOX-NWDGAFQWSA-N 0 3 337.376 2.019 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC000366908197 466009505 /nfs/dbraw/zinc/00/95/05/466009505.db2.gz CRLANCWKUASBPT-WBVHZDCISA-N 0 3 337.395 2.467 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229215 466011351 /nfs/dbraw/zinc/01/13/51/466011351.db2.gz RROIBABDPILOCV-VBQJREDUSA-N 0 3 331.416 2.326 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000591678526 468501329 /nfs/dbraw/zinc/50/13/29/468501329.db2.gz WNYDTIYBQJNSPA-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN COC(=O)[C@@H](O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368497 466593890 /nfs/dbraw/zinc/59/38/90/466593890.db2.gz YHKUJRQKVJTBMC-RTGRKSDTSA-N 0 3 348.399 2.244 20 5 EEBDHN COc1ccc(CNCC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000418139771 467057780 /nfs/dbraw/zinc/05/77/80/467057780.db2.gz WBXWJIKRSQOOPY-UHFFFAOYSA-N 0 3 338.404 2.261 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H](C)N1CCO ZINC000413312448 467212947 /nfs/dbraw/zinc/21/29/47/467212947.db2.gz GFJORKHORUEUIZ-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN COc1cccc(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000436016733 467509135 /nfs/dbraw/zinc/50/91/35/467509135.db2.gz MAARTYYTBGZMLN-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN CN(C)CCOC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436404799 467534555 /nfs/dbraw/zinc/53/45/55/467534555.db2.gz NTEMVLIWRGJLSQ-UHFFFAOYSA-N 0 3 334.420 2.110 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000449939120 467747751 /nfs/dbraw/zinc/74/77/51/467747751.db2.gz IDRHNMQJOXTJTD-OCCSQVGLSA-N 0 3 333.388 2.157 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000457110081 467755853 /nfs/dbraw/zinc/75/58/53/467755853.db2.gz HRGBJWRAHHUMDX-AWEZNQCLSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCN1C ZINC000450789396 467908490 /nfs/dbraw/zinc/90/84/90/467908490.db2.gz GJXWYVOOLJNDDC-SMDDNHRTSA-N 0 3 343.387 2.197 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637914 467944214 /nfs/dbraw/zinc/94/42/14/467944214.db2.gz WCUVSNHMIQXWQO-UOVKNHIHSA-N 0 3 333.388 2.325 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251066 468039989 /nfs/dbraw/zinc/03/99/89/468039989.db2.gz NKQUAWAQJVUULK-MMPTUQATSA-N 0 3 337.376 2.088 20 5 EEBDHN CC(C)[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487968635 468063608 /nfs/dbraw/zinc/06/36/08/468063608.db2.gz GGKXETGYFKUCDK-HNNXBMFYSA-N 0 3 345.403 2.417 20 5 EEBDHN CN(CCn1cnc2sc([N+](=O)[O-])cc2c1=O)Cc1ccccc1 ZINC000519716378 468199633 /nfs/dbraw/zinc/19/96/33/468199633.db2.gz YHXUQMOKBGCMJT-UHFFFAOYSA-N 0 3 344.396 2.498 20 5 EEBDHN CC(C)(CO)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000590080214 468212544 /nfs/dbraw/zinc/21/25/44/468212544.db2.gz ZWAVGPCUFZYODS-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201014 468510870 /nfs/dbraw/zinc/51/08/70/468510870.db2.gz MOTKSTSFMQSKMI-GOEBONIOSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCNC2(CCCCC2)C1 ZINC000594628779 468639361 /nfs/dbraw/zinc/63/93/61/468639361.db2.gz KHNNNVPWJYSURS-UHFFFAOYSA-N 0 3 333.388 2.108 20 5 EEBDHN COCc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000558752017 468713498 /nfs/dbraw/zinc/71/34/98/468713498.db2.gz BCFIEJFOCYUWFU-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN Cc1c(Br)cncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594931675 468725140 /nfs/dbraw/zinc/72/51/40/468725140.db2.gz QWDVVUTWYFWDTF-UHFFFAOYSA-N 0 3 340.181 2.047 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)CN1CCOCC1 ZINC000595007744 468742416 /nfs/dbraw/zinc/74/24/16/468742416.db2.gz JNDOURIGYFLRCQ-KBPBESRZSA-N 0 3 337.420 2.222 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCN1CCCO ZINC000595041352 468747967 /nfs/dbraw/zinc/74/79/67/468747967.db2.gz KLFFUSKTASNWMX-HIFRSBDPSA-N 0 3 337.420 2.101 20 5 EEBDHN C[C@H](Cn1cncn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595052460 468749323 /nfs/dbraw/zinc/74/93/23/468749323.db2.gz XJOSSNVAQHHQLX-SECBINFHSA-N 0 3 329.282 2.383 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000559637751 468750442 /nfs/dbraw/zinc/75/04/42/468750442.db2.gz ZQWPJBICYRGOBM-NVXWUHKLSA-N 0 3 343.383 2.219 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000559716887 468753570 /nfs/dbraw/zinc/75/35/70/468753570.db2.gz SRNJSULUYZWLDD-GFCCVEGCSA-N 0 3 336.392 2.457 20 5 EEBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000601621545 468940338 /nfs/dbraw/zinc/94/03/38/468940338.db2.gz NXTMDXKXLUNHMH-UHFFFAOYSA-N 0 3 332.360 2.256 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000562529116 468978450 /nfs/dbraw/zinc/97/84/50/468978450.db2.gz PNDCJQRTRFQBON-CYBMUJFWSA-N 0 3 333.388 2.016 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000602644929 468984420 /nfs/dbraw/zinc/98/44/20/468984420.db2.gz PJMJNACIMZTQCG-NEPJUHHUSA-N 0 3 348.321 2.348 20 5 EEBDHN Cc1ncc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969768 469118425 /nfs/dbraw/zinc/11/84/25/469118425.db2.gz SVSIZSNDSKQNSD-PWSUYJOCSA-N 0 3 337.401 2.450 20 5 EEBDHN Nc1ccc(NC2CCN(CCc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000596075958 469142902 /nfs/dbraw/zinc/14/29/02/469142902.db2.gz LGRDTGIMAQOESK-UHFFFAOYSA-N 0 3 341.415 2.691 20 5 EEBDHN O=C(NC1CC1)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091142 469150244 /nfs/dbraw/zinc/15/02/44/469150244.db2.gz WEXCREMYDYCEPQ-CYBMUJFWSA-N 0 3 330.388 2.136 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090499 469151119 /nfs/dbraw/zinc/15/11/19/469151119.db2.gz WKXAAOJGINYJMD-JSGCOSHPSA-N 0 3 327.388 2.819 20 5 EEBDHN COc1ccc(C[C@@](C)([NH3+])CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596174207 469187196 /nfs/dbraw/zinc/18/71/96/469187196.db2.gz CGNAQYWHEJNZKH-MRXNPFEDSA-N 0 3 332.360 2.076 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195083 469189048 /nfs/dbraw/zinc/18/90/48/469189048.db2.gz BNLIHTHWRNOLMX-UHFFFAOYSA-N 0 3 328.372 2.433 20 5 EEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222678 469197850 /nfs/dbraw/zinc/19/78/50/469197850.db2.gz GDJWELBKXJLVGF-LLVKDONJSA-N 0 3 326.356 2.110 20 5 EEBDHN CCn1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000616786416 469502284 /nfs/dbraw/zinc/50/22/84/469502284.db2.gz YNVZAKUVRFTWFR-HNNXBMFYSA-N 0 3 333.388 2.288 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCN(CC2CCC2)CC1 ZINC000619868415 469691635 /nfs/dbraw/zinc/69/16/35/469691635.db2.gz XRDYTDBRTMNUKC-UHFFFAOYSA-N 0 3 347.415 2.308 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)Cc1ccccc1 ZINC000609506194 469934948 /nfs/dbraw/zinc/93/49/48/469934948.db2.gz LRYIVMPJIKGOCL-CYBMUJFWSA-N 0 3 330.388 2.184 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419102 535987193 /nfs/dbraw/zinc/98/71/93/535987193.db2.gz NDXGFZIPFASGCD-GVDBMIGSSA-N 0 3 347.415 2.183 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774480 536809810 /nfs/dbraw/zinc/80/98/10/536809810.db2.gz UGMZUNHPOMHPLI-BYCMXARLSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000776590528 577463584 /nfs/dbraw/zinc/46/35/84/577463584.db2.gz HEFKPHSKALLHOK-COXVUDFISA-N 0 3 330.388 2.408 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820093299 606808625 /nfs/dbraw/zinc/80/86/25/606808625.db2.gz VLGHASXMEIOLTF-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820093299 606808626 /nfs/dbraw/zinc/80/86/26/606808626.db2.gz VLGHASXMEIOLTF-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820093299 606808627 /nfs/dbraw/zinc/80/86/27/606808627.db2.gz VLGHASXMEIOLTF-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820093299 606808628 /nfs/dbraw/zinc/80/86/28/606808628.db2.gz VLGHASXMEIOLTF-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2ccccc2C(F)(F)F)n1 ZINC000933245906 676525933 /nfs/dbraw/zinc/52/59/33/676525933.db2.gz LPJDGXGEVCWDNU-GFCCVEGCSA-N 0 3 344.293 2.133 20 5 EEBDHN Cc1ccccc1CN1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891792303 676833537 /nfs/dbraw/zinc/83/35/37/676833537.db2.gz FWNYVYIWZINFMB-UHFFFAOYSA-N 0 3 329.404 2.349 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CN(C)CCN1C ZINC000895249730 684376555 /nfs/dbraw/zinc/37/65/55/684376555.db2.gz XBWUQAOZCWXERS-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C(F)(F)F)CC1 ZINC001134211760 1199390505 /nfs/dbraw/zinc/39/05/05/1199390505.db2.gz YTBZQZVQVCTPJL-UHFFFAOYSA-N 0 3 331.294 2.143 20 5 EEBDHN CC(COC(=O)CCNC(=O)c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813109798 1201121992 /nfs/dbraw/zinc/12/19/92/1201121992.db2.gz OXBZCFOFCVAEKG-LBPRGKRZSA-N 0 3 330.340 2.168 20 5 EEBDHN CC(C)(F)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048640709 1238165123 /nfs/dbraw/zinc/16/51/23/1238165123.db2.gz FZVBJVOPEHXTLN-OKILXGFUSA-N 0 3 335.379 2.233 20 5 EEBDHN O=C(/C=C\C1CC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048734827 1238467170 /nfs/dbraw/zinc/46/71/70/1238467170.db2.gz XQWLKGYXKFSHDD-UGZFAFSNSA-N 0 3 341.411 2.451 20 5 EEBDHN O=C(C(F)F)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050398497 1243509308 /nfs/dbraw/zinc/50/93/08/1243509308.db2.gz RCXCLVIQGXPZHS-UHFFFAOYSA-N 0 3 339.342 2.284 20 5 EEBDHN CN(CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001057446321 1243801630 /nfs/dbraw/zinc/80/16/30/1243801630.db2.gz KTHGQKPCKFQFQF-UHFFFAOYSA-N 0 3 346.431 2.482 20 5 EEBDHN CC(C)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102196800 1300545317 /nfs/dbraw/zinc/54/53/17/1300545317.db2.gz ZWWFBMYEYQAXJS-CALCHBBNSA-N 0 3 346.431 2.115 20 5 EEBDHN C[C@@H]1CCCN1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769020 1303699655 /nfs/dbraw/zinc/69/96/55/1303699655.db2.gz VURLEUZPHJISFV-PBHICJAKSA-N 0 3 343.431 2.492 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799195849 1305182341 /nfs/dbraw/zinc/18/23/41/1305182341.db2.gz LZMOHKOOVJAHMK-ZBFHGGJFSA-N 0 3 343.383 2.219 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4CN5CCC4CC5)no3)c2c1 ZINC001254849511 1318204245 /nfs/dbraw/zinc/20/42/45/1318204245.db2.gz CMJTYOCACKILLN-LBPRGKRZSA-N 0 3 340.343 2.330 20 5 EEBDHN O=C(COCC1CCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001160143892 1320083856 /nfs/dbraw/zinc/08/38/56/1320083856.db2.gz XRKHMDZWRBZCQH-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=[N+]([O-])c1cc(NCc2nnn3c2CNCCC3)cc2ccccc21 ZINC001162977628 1321003348 /nfs/dbraw/zinc/00/33/48/1321003348.db2.gz GAFXLVLJWWYESG-UHFFFAOYSA-N 0 3 338.371 2.445 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)n2cnc3c2CNCC3)nc1Cl ZINC001164313583 1321347581 /nfs/dbraw/zinc/34/75/81/1321347581.db2.gz LSSMFIUJFSOTTM-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc(Cl)[nH]1 ZINC001166151011 1321664614 /nfs/dbraw/zinc/66/46/14/1321664614.db2.gz MRNMKBIRXIXZNN-UHFFFAOYSA-N 0 3 336.779 2.486 20 5 EEBDHN CC(C)(C(=O)NCCCNCc1ccccc1[N+](=O)[O-])C(F)F ZINC001166231111 1321683629 /nfs/dbraw/zinc/68/36/29/1321683629.db2.gz VKFHUKQIJXPGEX-UHFFFAOYSA-N 0 3 329.347 2.482 20 5 EEBDHN Cc1ncccc1CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001166585844 1321745136 /nfs/dbraw/zinc/74/51/36/1321745136.db2.gz PGQGYXKHYLWCJP-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN COc1ccccc1C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC001337215503 1336664978 /nfs/dbraw/zinc/66/49/78/1336664978.db2.gz ZYTDPXSIFWDNJD-UHFFFAOYSA-N 0 3 343.383 2.434 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911028 1344074886 /nfs/dbraw/zinc/07/48/86/1344074886.db2.gz WSQHSPOPANAWEE-RNCFNFMXSA-N 0 3 334.376 2.004 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1F ZINC001579642414 1344402475 /nfs/dbraw/zinc/40/24/75/1344402475.db2.gz FACQPBAEVNOCFK-DTWKUNHWSA-N 0 3 343.330 2.024 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589134368 1348963011 /nfs/dbraw/zinc/96/30/11/1348963011.db2.gz CDRRMYYKRGRJQQ-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589134368 1348963015 /nfs/dbraw/zinc/96/30/15/1348963015.db2.gz CDRRMYYKRGRJQQ-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589134368 1348963020 /nfs/dbraw/zinc/96/30/20/1348963020.db2.gz CDRRMYYKRGRJQQ-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589134368 1348963023 /nfs/dbraw/zinc/96/30/23/1348963023.db2.gz CDRRMYYKRGRJQQ-JTQLQIEISA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259682 1349235282 /nfs/dbraw/zinc/23/52/82/1349235282.db2.gz LWXMNDAFVBQVST-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCC[C@@H](C)C1 ZINC001590259682 1349235290 /nfs/dbraw/zinc/23/52/90/1349235290.db2.gz LWXMNDAFVBQVST-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259682 1349235298 /nfs/dbraw/zinc/23/52/98/1349235298.db2.gz LWXMNDAFVBQVST-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCC[C@@H](C)C1 ZINC001590259682 1349235301 /nfs/dbraw/zinc/23/53/01/1349235301.db2.gz LWXMNDAFVBQVST-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590272697 1349242718 /nfs/dbraw/zinc/24/27/18/1349242718.db2.gz XOBWUSQTPWOCDM-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590272697 1349242721 /nfs/dbraw/zinc/24/27/21/1349242721.db2.gz XOBWUSQTPWOCDM-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001593471997 1349807252 /nfs/dbraw/zinc/80/72/52/1349807252.db2.gz XIJGWTKVRBOFGU-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001593471997 1349807255 /nfs/dbraw/zinc/80/72/55/1349807255.db2.gz XIJGWTKVRBOFGU-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001604038056 1350835381 /nfs/dbraw/zinc/83/53/81/1350835381.db2.gz URPYOYKQYXDQEZ-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001604038056 1350835383 /nfs/dbraw/zinc/83/53/83/1350835383.db2.gz URPYOYKQYXDQEZ-GFCCVEGCSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1ccc(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000702408382 1367126892 /nfs/dbraw/zinc/12/68/92/1367126892.db2.gz IWKGWVYNZJBQOB-INIZCTEOSA-N 0 3 342.399 2.301 20 5 EEBDHN COc1cc(C)sc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134752127 1367777216 /nfs/dbraw/zinc/77/72/16/1367777216.db2.gz XIOADCDTTDPJCX-UHFFFAOYSA-N 0 3 349.412 2.493 20 5 EEBDHN CCc1nc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001135234050 1368061996 /nfs/dbraw/zinc/06/19/96/1368061996.db2.gz VGLBPWRJWMNGJJ-UHFFFAOYSA-N 0 3 348.428 2.442 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881377 1403615123 /nfs/dbraw/zinc/61/51/23/1403615123.db2.gz UDSPJIYNQLPVEO-OUAUKWLOSA-N 0 3 327.331 2.284 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001100546913 760001221 /nfs/dbraw/zinc/00/12/21/760001221.db2.gz XVOLWUQNODAMPJ-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954333 790772929 /nfs/dbraw/zinc/77/29/29/790772929.db2.gz FGIBZKXROSXYFM-CKLFPEKLSA-N 0 3 341.795 2.324 20 5 EEBDHN O=C(c1ncc[nH]1)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997762395 791017000 /nfs/dbraw/zinc/01/70/00/791017000.db2.gz UDUYZPWEHSWAOB-UHFFFAOYSA-N 0 3 349.416 2.021 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001109547884 805650855 /nfs/dbraw/zinc/65/08/55/805650855.db2.gz ZVVCDYSDHAYCEF-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107391984 787105701 /nfs/dbraw/zinc/10/57/01/787105701.db2.gz QVLNWFIHFANPNW-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000923292905 789324197 /nfs/dbraw/zinc/32/41/97/789324197.db2.gz ZROVCTAPQOWTQI-GXTWGEPZSA-N 0 3 337.807 2.486 20 5 EEBDHN CC([C@H](OC(=O)CCc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882608 789973799 /nfs/dbraw/zinc/97/37/99/789973799.db2.gz OXIHNEDANJARRQ-ZBEGNZNMSA-N 0 3 333.319 2.498 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2cccc3c2CCC3)cc1 ZINC000845938632 790001377 /nfs/dbraw/zinc/00/13/77/790001377.db2.gz XKYFLXLCVIZTDR-RTBURBONSA-N 0 3 342.395 2.268 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCOC[C@@H]2F)c1F ZINC001173177358 797277071 /nfs/dbraw/zinc/27/70/71/797277071.db2.gz AZWQQSIRDGJJBL-USWWRNFRSA-N 0 3 330.331 2.390 20 5 EEBDHN CCn1cccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001176194841 798372127 /nfs/dbraw/zinc/37/21/27/798372127.db2.gz RZPFWMAFQZAPRU-UHFFFAOYSA-N 0 3 336.417 2.387 20 5 EEBDHN CCn1cccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176195315 798372236 /nfs/dbraw/zinc/37/22/36/798372236.db2.gz ZPRQYQPCGUJAOC-UHFFFAOYSA-N 0 3 330.388 2.326 20 5 EEBDHN CC(C)(C)OC(=O)N1CCC2(CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013410 803571447 /nfs/dbraw/zinc/57/14/47/803571447.db2.gz UXDRSNVOWFRAEC-KBPBESRZSA-N 0 3 339.436 2.375 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3nccc4occc43)CC2)C1 ZINC001169038350 803581896 /nfs/dbraw/zinc/58/18/96/803581896.db2.gz YHGBGVAUJOIEQR-KBPBESRZSA-N 0 3 330.388 2.395 20 5 EEBDHN Cc1noc(C2CC2)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131441138 812833047 /nfs/dbraw/zinc/83/30/47/812833047.db2.gz KCWOXPJKAYMTFZ-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN Cc1nc(C)c(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001131548006 812973383 /nfs/dbraw/zinc/97/33/83/812973383.db2.gz DCQJEEFDANHDOG-UHFFFAOYSA-N 0 3 348.428 2.117 20 5 EEBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001517388993 1119032684 /nfs/dbraw/zinc/03/26/84/1119032684.db2.gz CFENIANFRDCTPB-RDBSUJKOSA-N 0 3 338.456 2.191 20 5 EEBDHN Cc1c(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940753 235266566 /nfs/dbraw/zinc/26/65/66/235266566.db2.gz VQPHNMBABQJZCX-ZDUSSCGKSA-N 0 3 349.435 2.051 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000130068406 223118819 /nfs/dbraw/zinc/11/88/19/223118819.db2.gz VGJUAUZYUWFJDC-UHFFFAOYSA-N 0 3 346.387 2.190 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000426888672 241354399 /nfs/dbraw/zinc/35/43/99/241354399.db2.gz IZEKJVCLQPNHLN-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCCN1C ZINC000447803872 242317685 /nfs/dbraw/zinc/31/76/85/242317685.db2.gz CGYJVQSENZEGOF-GDBMZVCRSA-N 0 3 348.447 2.322 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)cc1SC ZINC000264200815 246175258 /nfs/dbraw/zinc/17/52/58/246175258.db2.gz RWLQKZWKQRNDQT-VIFPVBQESA-N 0 3 327.406 2.005 20 5 EEBDHN COC(=O)[C@@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000265023127 247142147 /nfs/dbraw/zinc/14/21/47/247142147.db2.gz HIMLLYHCRFOHPA-AWEZNQCLSA-N 0 3 334.372 2.379 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065887 248072374 /nfs/dbraw/zinc/07/23/74/248072374.db2.gz WPCZVPARPGOKFC-CJYSPXJISA-N 0 3 333.388 2.325 20 5 EEBDHN Cc1ccc(NC(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267117909 256028631 /nfs/dbraw/zinc/02/86/31/256028631.db2.gz AGZDSTGASBASRK-OAHLLOKOSA-N 0 3 338.433 2.462 20 5 EEBDHN CCc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000270606208 256152622 /nfs/dbraw/zinc/15/26/22/256152622.db2.gz DSCUSRRNDDDALE-CABCVRRESA-N 0 3 337.445 2.275 20 5 EEBDHN Cc1ccc(CN(C)C[C@@H](O)COCCOC(C)C)cc1[N+](=O)[O-] ZINC000271124092 256210472 /nfs/dbraw/zinc/21/04/72/256210472.db2.gz GHKQSNRKMMNIGB-MRXNPFEDSA-N 0 3 340.420 2.138 20 5 EEBDHN CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000273506713 256302261 /nfs/dbraw/zinc/30/22/61/256302261.db2.gz NATCHHOQLFWUOE-CVEARBPZSA-N 0 3 349.456 2.176 20 5 EEBDHN CCOc1cccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000273872893 256334399 /nfs/dbraw/zinc/33/43/99/256334399.db2.gz OYDOTWVCTRHZNE-JSGCOSHPSA-N 0 3 325.434 2.475 20 5 EEBDHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000191626175 533530055 /nfs/dbraw/zinc/53/00/55/533530055.db2.gz CDAGEJXAAUXSJR-UHFFFAOYSA-N 0 3 333.388 2.268 20 5 EEBDHN C[C@@H]1COCCN1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192733993 140876683 /nfs/dbraw/zinc/87/66/83/140876683.db2.gz PHQVTCQPZGRISF-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087136931 292206123 /nfs/dbraw/zinc/20/61/23/292206123.db2.gz AMBHQOHVZYPBAB-ZDUSSCGKSA-N 0 3 332.404 2.004 20 5 EEBDHN COc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236725 154099272 /nfs/dbraw/zinc/09/92/72/154099272.db2.gz GHJGLRAQMLNAJI-QWHCGFSZSA-N 0 3 336.388 2.470 20 5 EEBDHN CNC(=O)[C@H](C)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000081527696 159154753 /nfs/dbraw/zinc/15/47/53/159154753.db2.gz UOKUTSQYUZNWKG-GFCCVEGCSA-N 0 3 346.387 2.106 20 5 EEBDHN C[C@@H]1CN(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000192748893 160172886 /nfs/dbraw/zinc/17/28/86/160172886.db2.gz YIYOOOAAMOMUSZ-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(CC3CCCC3)C2)n1 ZINC000342295012 161054409 /nfs/dbraw/zinc/05/44/09/161054409.db2.gz PBWQWAPZRWWIOG-ZDUSSCGKSA-N 0 3 348.403 2.453 20 5 EEBDHN CN(CCNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000342792412 161091301 /nfs/dbraw/zinc/09/13/01/161091301.db2.gz WHOGYJQBPFBXRJ-UHFFFAOYSA-N 0 3 346.362 2.377 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000343759005 161165285 /nfs/dbraw/zinc/16/52/85/161165285.db2.gz PWLFEABJPSAJAE-BXUZGUMPSA-N 0 3 335.335 2.219 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000345371991 161296302 /nfs/dbraw/zinc/29/63/02/161296302.db2.gz CRDKLHSRISXKJK-HIFRSBDPSA-N 0 3 334.420 2.261 20 5 EEBDHN CN(C)Cc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000345929723 161343164 /nfs/dbraw/zinc/34/31/64/161343164.db2.gz ARSHKXBQTNYIND-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000352469265 162147031 /nfs/dbraw/zinc/14/70/31/162147031.db2.gz DDCNWSVDWSAVCE-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN COc1c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000356248712 163379463 /nfs/dbraw/zinc/37/94/63/163379463.db2.gz DXFVLNHYUGLHQG-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN CC(=O)N[C@@H](C)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000360615629 164351931 /nfs/dbraw/zinc/35/19/31/164351931.db2.gz ZOCXZMKIIBHMHA-ZDUSSCGKSA-N 0 3 335.404 2.210 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832217 164387790 /nfs/dbraw/zinc/38/77/90/164387790.db2.gz DGFXKWGCJLHJMO-IUODEOHRSA-N 0 3 338.404 2.432 20 5 EEBDHN Cn1cc(C[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000370002617 166374245 /nfs/dbraw/zinc/37/42/45/166374245.db2.gz QWGHGGNXSABLTM-CQSZACIVSA-N 0 3 330.388 2.272 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376407551 167320208 /nfs/dbraw/zinc/32/02/08/167320208.db2.gz MQFLUGTZCIVDBY-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278435137 269231295 /nfs/dbraw/zinc/23/12/95/269231295.db2.gz PYKJEPFKUZSLOY-AWEZNQCLSA-N 0 3 347.463 2.248 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000279547756 269287057 /nfs/dbraw/zinc/28/70/57/269287057.db2.gz XKGSGZPHNYPWED-UHFFFAOYSA-N 0 3 331.376 2.096 20 5 EEBDHN C[C@@H](Cn1cccn1)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271472157 274134181 /nfs/dbraw/zinc/13/41/81/274134181.db2.gz WBUXACNJTSBVGA-ZDUSSCGKSA-N 0 3 340.387 2.370 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277558684 274309101 /nfs/dbraw/zinc/30/91/01/274309101.db2.gz PDOSUJWMNZZHPJ-ZDUSSCGKSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278418424 274352989 /nfs/dbraw/zinc/35/29/89/274352989.db2.gz XCTGLMZJZSRMRR-ZDUSSCGKSA-N 0 3 348.403 2.312 20 5 EEBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CCN(C)CC1 ZINC000291287364 275290314 /nfs/dbraw/zinc/29/03/14/275290314.db2.gz SJBJEVRAIWQZLF-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292121901 275379782 /nfs/dbraw/zinc/37/97/82/275379782.db2.gz GPXKVIRRPWMUPN-GOSISDBHSA-N 0 3 344.415 2.337 20 5 EEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186771554 278255667 /nfs/dbraw/zinc/25/56/67/278255667.db2.gz RSLBGSDMCNKCIK-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294038280 293355515 /nfs/dbraw/zinc/35/55/15/293355515.db2.gz KMJWTJVUXAMJHC-BQYQJAHWSA-N 0 3 329.360 2.005 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795142 294342933 /nfs/dbraw/zinc/34/29/33/294342933.db2.gz XSUNEOAYNLGPEV-JGGQBBKZSA-N 0 3 332.404 2.391 20 5 EEBDHN Cc1ccc(CNCC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414564202 313042608 /nfs/dbraw/zinc/04/26/08/313042608.db2.gz XMIHXGWRDPXJIK-UHFFFAOYSA-N 0 3 326.418 2.208 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000524720414 317024212 /nfs/dbraw/zinc/02/42/12/317024212.db2.gz PEHVRDTVMVIJCI-CQSZACIVSA-N 0 3 346.431 2.267 20 5 EEBDHN CN(CC(=O)NCC(C)(C)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000525713256 317070230 /nfs/dbraw/zinc/07/02/30/317070230.db2.gz FKAPFFQDYIVMCS-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CNCc2ccccc21 ZINC000565772076 319212690 /nfs/dbraw/zinc/21/26/90/319212690.db2.gz CPHPSEXCGWJXAG-MRXNPFEDSA-N 0 3 325.368 2.141 20 5 EEBDHN COc1ccc(CC(=O)Nc2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000573556305 319945334 /nfs/dbraw/zinc/94/53/34/319945334.db2.gz DUIDNBOEJMZROR-UHFFFAOYSA-N 0 3 341.367 2.430 20 5 EEBDHN COC(=O)c1cnc(NC2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296120726 465087352 /nfs/dbraw/zinc/08/73/52/465087352.db2.gz VXXOEODZYTWONT-UHFFFAOYSA-N 0 3 334.376 2.205 20 5 EEBDHN C[C@H](c1cnn(C)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337329541 465309038 /nfs/dbraw/zinc/30/90/38/465309038.db2.gz ZSJSFAKQRMDRKP-GFCCVEGCSA-N 0 3 331.376 2.350 20 5 EEBDHN C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000590638249 468293759 /nfs/dbraw/zinc/29/37/59/468293759.db2.gz QINJOGVSYOHKPA-CYBMUJFWSA-N 0 3 347.415 2.404 20 5 EEBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000153606696 462668839 /nfs/dbraw/zinc/66/88/39/462668839.db2.gz FFZHAXHNSSCZBU-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000115519213 462718866 /nfs/dbraw/zinc/71/88/66/462718866.db2.gz YSBTVJGQAFCVRQ-GFCCVEGCSA-N 0 3 332.404 2.258 20 5 EEBDHN O=[N+]([O-])c1c(N2CCN(c3ccncc3)CC2)nc2sccn21 ZINC000008338147 462780699 /nfs/dbraw/zinc/78/06/99/462780699.db2.gz ZYMLEKYWZGZLQD-UHFFFAOYSA-N 0 3 330.373 2.026 20 5 EEBDHN CCOc1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512162 462795021 /nfs/dbraw/zinc/79/50/21/462795021.db2.gz NZBIQTSMEJAPBS-UHFFFAOYSA-N 0 3 331.372 2.287 20 5 EEBDHN CC(C)(CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000048178203 462869076 /nfs/dbraw/zinc/86/90/76/462869076.db2.gz YGNOWOFRVWOHJM-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120713576 463030055 /nfs/dbraw/zinc/03/00/55/463030055.db2.gz QOOBWNXEYXAVEB-VIFPVBQESA-N 0 3 342.193 2.039 20 5 EEBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000068202988 463105113 /nfs/dbraw/zinc/10/51/13/463105113.db2.gz VSXJHMFLUFDSSC-KGLIPLIRSA-N 0 3 334.420 2.243 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123177174 463321871 /nfs/dbraw/zinc/32/18/71/463321871.db2.gz MBOPQSMWUPYOTR-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144585231 463376704 /nfs/dbraw/zinc/37/67/04/463376704.db2.gz ASHMTOFZPSHGCV-XJKSGUPXSA-N 0 3 349.431 2.266 20 5 EEBDHN Cc1nccn1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658517 463449003 /nfs/dbraw/zinc/44/90/03/463449003.db2.gz SXAYRKVAMSNLKB-UHFFFAOYSA-N 0 3 329.404 2.312 20 5 EEBDHN COc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105802254 463467700 /nfs/dbraw/zinc/46/77/00/463467700.db2.gz IOMAXCNAVSVBEB-CQSZACIVSA-N 0 3 343.387 2.152 20 5 EEBDHN COc1ccc(CN2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000151315509 463511697 /nfs/dbraw/zinc/51/16/97/463511697.db2.gz SIASLMNTAAKORI-UHFFFAOYSA-N 0 3 328.372 2.321 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000492313371 468377631 /nfs/dbraw/zinc/37/76/31/468377631.db2.gz OYHVGDGMSNXEAS-SFRZCGLPSA-N 0 3 335.429 2.112 20 5 EEBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCN(C)CC1 ZINC000171222474 463817828 /nfs/dbraw/zinc/81/78/28/463817828.db2.gz HDCGZYTWPYAIEN-UHFFFAOYSA-N 0 3 346.431 2.361 20 5 EEBDHN COc1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194364039 463846080 /nfs/dbraw/zinc/84/60/80/463846080.db2.gz HBCGYVDRVQYIQC-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171448740 463866050 /nfs/dbraw/zinc/86/60/50/463866050.db2.gz KIDLWUJBFYMHDW-OAHLLOKOSA-N 0 3 344.415 2.479 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000283735135 463989392 /nfs/dbraw/zinc/98/93/92/463989392.db2.gz IJLZUPHGWNPFNS-GFCCVEGCSA-N 0 3 325.796 2.407 20 5 EEBDHN CN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000195508951 464061073 /nfs/dbraw/zinc/06/10/73/464061073.db2.gz CRXSIQJGQPAVOU-UHFFFAOYSA-N 0 3 347.444 2.411 20 5 EEBDHN COC(=O)C(C)(C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180039780 464228928 /nfs/dbraw/zinc/22/89/28/464228928.db2.gz XKKOTSRLMWAKCJ-UHFFFAOYSA-N 0 3 346.387 2.284 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCCCCC2)n1 ZINC000343005313 465447980 /nfs/dbraw/zinc/44/79/80/465447980.db2.gz BNMBFXYFJPWDER-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264658091 464411947 /nfs/dbraw/zinc/41/19/47/464411947.db2.gz YCCKQIHHOIVWIM-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189197946 464454649 /nfs/dbraw/zinc/45/46/49/464454649.db2.gz NAGNXZQARGDBPV-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN CN(CCc1nc(-c2ccccc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000285421793 464558864 /nfs/dbraw/zinc/55/88/64/464558864.db2.gz BXVSBIUPDVJQIZ-UHFFFAOYSA-N 0 3 342.359 2.016 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCOCC2)CC1 ZINC000175502204 464563073 /nfs/dbraw/zinc/56/30/73/464563073.db2.gz PHALIFZXHOOMNN-UHFFFAOYSA-N 0 3 349.431 2.290 20 5 EEBDHN O=[N+]([O-])c1cccc(CNCCn2cc(Br)cn2)c1 ZINC000285442011 464565206 /nfs/dbraw/zinc/56/52/06/464565206.db2.gz IGXDTSJGCZUABC-UHFFFAOYSA-N 0 3 325.166 2.344 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000176216101 464723393 /nfs/dbraw/zinc/72/33/93/464723393.db2.gz QCMUCVBKUDWHSS-MRXNPFEDSA-N 0 3 330.388 2.473 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295427790 464830535 /nfs/dbraw/zinc/83/05/35/464830535.db2.gz UOZGEQKHCDEGEH-LBPRGKRZSA-N 0 3 333.388 2.160 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339762092 465495319 /nfs/dbraw/zinc/49/53/19/465495319.db2.gz IUBHFAWYAYBADF-IAGOWNOFSA-N 0 3 336.388 2.013 20 5 EEBDHN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344609554 465718755 /nfs/dbraw/zinc/71/87/55/465718755.db2.gz GYBAHLVBFBLQAL-OAHLLOKOSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011062 468449992 /nfs/dbraw/zinc/44/99/92/468449992.db2.gz UDAXVAUZEBONKP-WBVHZDCISA-N 0 3 331.372 2.470 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000366536519 465788760 /nfs/dbraw/zinc/78/87/60/465788760.db2.gz RYQMZQXEXFXMQV-SFHVURJKSA-N 0 3 342.399 2.173 20 5 EEBDHN Cc1ccc(CNc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000366752044 465914885 /nfs/dbraw/zinc/91/48/85/465914885.db2.gz QRTDCTZMSQUZGZ-UHFFFAOYSA-N 0 3 329.404 2.979 20 5 EEBDHN CC(=O)c1ccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301247363 465929740 /nfs/dbraw/zinc/92/97/40/465929740.db2.gz BAVLWIQCRSEFCU-MRXNPFEDSA-N 0 3 346.431 2.014 20 5 EEBDHN Cc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019736 466080879 /nfs/dbraw/zinc/08/08/79/466080879.db2.gz NGZXOBHGDCLBHT-UONOGXRCSA-N 0 3 344.415 2.343 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000346798009 466161445 /nfs/dbraw/zinc/16/14/45/466161445.db2.gz PDNIGLBZVDBVQS-HIFRSBDPSA-N 0 3 340.445 2.473 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000341058263 466549178 /nfs/dbraw/zinc/54/91/78/466549178.db2.gz WCBSNORYUIHLRL-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CCNC2=O)CC1 ZINC000347360143 466590126 /nfs/dbraw/zinc/59/01/26/466590126.db2.gz OPAWHWJZHMTLFO-SDNWHVSQSA-N 0 3 344.415 2.488 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205563 466728524 /nfs/dbraw/zinc/72/85/24/466728524.db2.gz UIIWRJSDYAVNFU-MSOLQXFVSA-N 0 3 346.358 2.361 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192135 466740058 /nfs/dbraw/zinc/74/00/58/466740058.db2.gz VIJOSQPDDXFBDB-JJMVLAAESA-N 0 3 349.387 2.088 20 5 EEBDHN Cc1ccc([C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365517643 466844577 /nfs/dbraw/zinc/84/45/77/466844577.db2.gz UGJLSOPKUUGDAT-INIZCTEOSA-N 0 3 330.388 2.470 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000424006394 466948454 /nfs/dbraw/zinc/94/84/54/466948454.db2.gz DLLZZVSJOFBOBF-DLBZAZTESA-N 0 3 343.358 2.230 20 5 EEBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1cccc(F)c1 ZINC000424011992 466950516 /nfs/dbraw/zinc/95/05/16/466950516.db2.gz NYLDHESXOICQTJ-NWDGAFQWSA-N 0 3 335.360 2.362 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000412222883 467041823 /nfs/dbraw/zinc/04/18/23/467041823.db2.gz SNQOCOKNJVAVAF-XUWVNRHRSA-N 0 3 349.456 2.202 20 5 EEBDHN COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1[O-] ZINC000377830997 467147818 /nfs/dbraw/zinc/14/78/18/467147818.db2.gz IWNIICJKZYVJBO-LBPRGKRZSA-N 0 3 346.387 2.481 20 5 EEBDHN CN1CCNC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983119 467459587 /nfs/dbraw/zinc/45/95/87/467459587.db2.gz ZXJCIZGTTUWPQK-CYBMUJFWSA-N 0 3 346.456 2.317 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000454789243 467615817 /nfs/dbraw/zinc/61/58/17/467615817.db2.gz FKPHVHKPLNZAOK-RISCZKNCSA-N 0 3 338.795 2.094 20 5 EEBDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488035157 468067471 /nfs/dbraw/zinc/06/74/71/468067471.db2.gz WBXZGEIWXKDATL-XJKSGUPXSA-N 0 3 334.420 2.194 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201692 468511286 /nfs/dbraw/zinc/51/12/86/468511286.db2.gz PGPZXFMAUZPWKO-QWHCGFSZSA-N 0 3 347.371 2.070 20 5 EEBDHN CCOC(=O)Cc1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000591909854 468562873 /nfs/dbraw/zinc/56/28/73/468562873.db2.gz YUKOSYNKGFATNX-CQSZACIVSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccn(CCN(C)C)n1 ZINC000597666663 468631087 /nfs/dbraw/zinc/63/10/87/468631087.db2.gz KLYCJJSPNYTXII-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113504 468745277 /nfs/dbraw/zinc/74/52/77/468745277.db2.gz HKFXVKFAAOZCQQ-QZTJIDSGSA-N 0 3 342.399 2.178 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595522830 468887362 /nfs/dbraw/zinc/88/73/62/468887362.db2.gz OKXMRACSCMIZNM-UHFFFAOYSA-N 0 3 338.427 2.240 20 5 EEBDHN CN(C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCO1 ZINC000602655955 468991926 /nfs/dbraw/zinc/99/19/26/468991926.db2.gz IVJQJRDLFPETPK-CQSZACIVSA-N 0 3 348.403 2.279 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000602775906 469066222 /nfs/dbraw/zinc/06/62/22/469066222.db2.gz CUIXQBPMQYPGCV-QGZVFWFLSA-N 0 3 344.415 2.472 20 5 EEBDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)cc1 ZINC000601881148 469075449 /nfs/dbraw/zinc/07/54/49/469075449.db2.gz SIIZYOHEDFTPHT-AWEZNQCLSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)cc1 ZINC000601881148 469075454 /nfs/dbraw/zinc/07/54/54/469075454.db2.gz SIIZYOHEDFTPHT-AWEZNQCLSA-N 0 3 328.372 2.236 20 5 EEBDHN CCN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000593689075 469096681 /nfs/dbraw/zinc/09/66/81/469096681.db2.gz PTIWNEICHPTUHK-JTQLQIEISA-N 0 3 343.330 2.154 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000593729205 469111667 /nfs/dbraw/zinc/11/16/67/469111667.db2.gz QVKLHUZDONNFNX-GFCCVEGCSA-N 0 3 335.379 2.219 20 5 EEBDHN COc1ccccc1COC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000562987945 469124803 /nfs/dbraw/zinc/12/48/03/469124803.db2.gz VPGVEYVCODYINJ-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1ccc(OCCN2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611177227 469183269 /nfs/dbraw/zinc/18/32/69/469183269.db2.gz CRVXUOSSJGCTJG-UHFFFAOYSA-N 0 3 336.388 2.485 20 5 EEBDHN COc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000602540442 485642967 /nfs/dbraw/zinc/64/29/67/485642967.db2.gz QDNFXFYIAYGNBZ-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000456318990 536139685 /nfs/dbraw/zinc/13/96/85/536139685.db2.gz NNVSJYXJTWLWCB-AWEZNQCLSA-N 0 3 342.355 2.497 20 5 EEBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451561589 536747764 /nfs/dbraw/zinc/74/77/64/536747764.db2.gz IUSODQVMMMENEN-WFASDCNBSA-N 0 3 349.387 2.250 20 5 EEBDHN Cc1nn(CN2CCC[C@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000776770149 577467586 /nfs/dbraw/zinc/46/75/86/577467586.db2.gz NLUHJUPEOISUQM-INIZCTEOSA-N 0 3 345.403 2.496 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000765424134 577500777 /nfs/dbraw/zinc/50/07/77/577500777.db2.gz BSDKRQDNEUYHAN-CHWSQXEVSA-N 0 3 341.408 2.160 20 5 EEBDHN CCCN1CC[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894592849 682989341 /nfs/dbraw/zinc/98/93/41/682989341.db2.gz NZPVDYGCTNTRFH-LBPRGKRZSA-N 0 3 330.388 2.343 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001020065059 683538238 /nfs/dbraw/zinc/53/82/38/683538238.db2.gz QMZMNYWPXKRMAA-SHTZXODSSA-N 0 3 344.346 2.180 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc3c2OCC3)c1 ZINC000905617222 1189820550 /nfs/dbraw/zinc/82/05/50/1189820550.db2.gz OOQARHQHELTJBI-INIZCTEOSA-N 0 3 344.367 2.059 20 5 EEBDHN CC(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105553 1201096972 /nfs/dbraw/zinc/09/69/72/1201096972.db2.gz OJSXAYWGRRQQTJ-JTQLQIEISA-N 0 3 328.752 2.058 20 5 EEBDHN COc1cc(OC)c(OC)c2[nH]c(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813107208 1201119478 /nfs/dbraw/zinc/11/94/78/1201119478.db2.gz MPSSOKWQTZYBRP-QMMMGPOBSA-N 0 3 338.316 2.016 20 5 EEBDHN N[C@@H](CC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153861 1202243578 /nfs/dbraw/zinc/24/35/78/1202243578.db2.gz UEFZCWMEUWLIMX-INIZCTEOSA-N 0 3 333.388 2.092 20 5 EEBDHN CC1CCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000777799329 1206485180 /nfs/dbraw/zinc/48/51/80/1206485180.db2.gz QZSFAERKMPLLQK-UHFFFAOYSA-N 0 3 349.416 2.061 20 5 EEBDHN CC1(Nc2ccccc2[N+](=O)[O-])CCN(C(=O)CN2CCCC2)CC1 ZINC001067263640 1229951280 /nfs/dbraw/zinc/95/12/80/1229951280.db2.gz LDFJRUUANBTWPU-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN CC[C@@H](CN1CCOCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341983 1240274118 /nfs/dbraw/zinc/27/41/18/1240274118.db2.gz ABVHYUVQEGJHCO-KGLIPLIRSA-N 0 3 337.420 2.365 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097054147 1243633319 /nfs/dbraw/zinc/63/33/19/1243633319.db2.gz NEFKXDQFZCFCGB-HAQNSBGRSA-N 0 3 338.383 2.135 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CCC)c1ccc([N+](=O)[O-])cc1 ZINC001101163497 1245470670 /nfs/dbraw/zinc/47/06/70/1245470670.db2.gz SAHUSZRTPWPVQF-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN CC(C)(CO)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109627 1315845355 /nfs/dbraw/zinc/84/53/55/1315845355.db2.gz WJSHMIKLUCIEDR-IRXDYDNUSA-N 0 3 345.399 2.373 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001155256602 1317526469 /nfs/dbraw/zinc/52/64/69/1317526469.db2.gz NPWYNRPVQYUVBZ-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cnccn2)C1 ZINC001254570118 1318124754 /nfs/dbraw/zinc/12/47/54/1318124754.db2.gz MYINMTSYFYFDSW-DZGCQCFKSA-N 0 3 328.372 2.469 20 5 EEBDHN CCOC(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611793 1318146169 /nfs/dbraw/zinc/14/61/69/1318146169.db2.gz SYOYEUVXQGUKNK-MRXNPFEDSA-N 0 3 333.388 2.273 20 5 EEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157759319 1318842037 /nfs/dbraw/zinc/84/20/37/1318842037.db2.gz MHKCPGMZGYJNER-LBPRGKRZSA-N 0 3 333.779 2.498 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(N2CCO[C@H](CN3CCCC3)C2)nc1Cl ZINC001158309424 1319164720 /nfs/dbraw/zinc/16/47/20/1319164720.db2.gz KAPPFMRJGLUFQP-GFCCVEGCSA-N 0 3 340.811 2.253 20 5 EEBDHN Cc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cs1 ZINC001164516647 1321404280 /nfs/dbraw/zinc/40/42/80/1321404280.db2.gz JMFACFIDZYYOAN-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN Cc1ccc(-c2ccc(-n3ncc4c3CCNC4)nn2)cc1[N+](=O)[O-] ZINC001165219843 1321476072 /nfs/dbraw/zinc/47/60/72/1321476072.db2.gz FNWFJXAXZXLFIN-UHFFFAOYSA-N 0 3 336.355 2.192 20 5 EEBDHN C[C@@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000847958693 1338402742 /nfs/dbraw/zinc/40/27/42/1338402742.db2.gz MWYUUMUFHBTCBZ-NSHDSACASA-N 0 3 336.344 2.355 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[NH+]1CCCCCC1 ZINC001593467759 1349803811 /nfs/dbraw/zinc/80/38/11/1349803811.db2.gz DNYINJDQPWOSIC-UHFFFAOYSA-N 0 3 349.370 2.202 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[NH+]1CCCCCC1 ZINC001593467759 1349803815 /nfs/dbraw/zinc/80/38/15/1349803815.db2.gz DNYINJDQPWOSIC-UHFFFAOYSA-N 0 3 349.370 2.202 20 5 EEBDHN CO[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605015718 1351055707 /nfs/dbraw/zinc/05/57/07/1351055707.db2.gz ORSHQVRCMCJADG-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605015718 1351055709 /nfs/dbraw/zinc/05/57/09/1351055709.db2.gz ORSHQVRCMCJADG-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000853161677 1369321457 /nfs/dbraw/zinc/32/14/57/1369321457.db2.gz XJFUJVLDNPVRJL-LBPRGKRZSA-N 0 3 340.811 2.120 20 5 EEBDHN Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001591968775 1403976690 /nfs/dbraw/zinc/97/66/90/1403976690.db2.gz HPARZMAGKTXHMT-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001591968775 1403976694 /nfs/dbraw/zinc/97/66/94/1403976694.db2.gz HPARZMAGKTXHMT-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104395950 760132853 /nfs/dbraw/zinc/13/28/53/760132853.db2.gz KOXCDHOKPQPXSD-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112091873 769532654 /nfs/dbraw/zinc/53/26/54/769532654.db2.gz AFMCOELMLXIQPK-UHFFFAOYSA-N 0 3 336.436 2.221 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1coc(CC2CC2)n1 ZINC001136035614 785029507 /nfs/dbraw/zinc/02/95/07/785029507.db2.gz BCIOCOYHXDDLAP-UHFFFAOYSA-N 0 3 344.371 2.055 20 5 EEBDHN CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000908916465 785833991 /nfs/dbraw/zinc/83/39/91/785833991.db2.gz MQJFNIHHIGGWFZ-UHFFFAOYSA-N 0 3 340.811 2.387 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CN2CCCC2)c1 ZINC001107201541 786351530 /nfs/dbraw/zinc/35/15/30/786351530.db2.gz ULFVLCVIOMUJTP-IHWYPQMZSA-N 0 3 332.404 2.083 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CN(C)C(C)C)c1 ZINC001107233743 786550887 /nfs/dbraw/zinc/55/08/87/786550887.db2.gz RNDUHESQVYOGPT-AATRIKPKSA-N 0 3 334.420 2.328 20 5 EEBDHN CC([C@@H](OC(=O)C[C@@H]1COC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845873340 789971395 /nfs/dbraw/zinc/97/13/95/789971395.db2.gz CNLSJKPLZHKTFT-IQMDTDKHSA-N 0 3 325.292 2.028 20 5 EEBDHN CC([C@@H](OC(=O)CN1CCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881841 789973924 /nfs/dbraw/zinc/97/39/24/789973924.db2.gz MIXUVAVSGFMWBP-BDJLRTHQSA-N 0 3 338.335 2.088 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110148570 795623738 /nfs/dbraw/zinc/62/37/38/795623738.db2.gz JLQWXNVUOTXCQC-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110148778 795631605 /nfs/dbraw/zinc/63/16/05/795631605.db2.gz VVRIQJGEENWRHO-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN Cc1cc(NCCCNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001094621795 796493664 /nfs/dbraw/zinc/49/36/64/796493664.db2.gz GWPXYBDCSRBNHJ-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN([C@H]3CCOC3)CC1)CC2 ZINC001172907473 797133610 /nfs/dbraw/zinc/13/36/10/797133610.db2.gz FHKMPCJUPCHGRS-HKUYNNGSSA-N 0 3 345.443 2.249 20 5 EEBDHN COC(=O)CCN(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193151 797282741 /nfs/dbraw/zinc/28/27/41/797282741.db2.gz QUHCYYUFOWTKOX-SNVBAGLBSA-N 0 3 328.340 2.168 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110193393 798368621 /nfs/dbraw/zinc/36/86/21/798368621.db2.gz CWTYDSLDBDLWGH-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN COC(=O)c1ccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036405 803580145 /nfs/dbraw/zinc/58/01/45/803580145.db2.gz FTUDDXFVSDUFDZ-RHSMWYFYSA-N 0 3 347.415 2.041 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054381 803596469 /nfs/dbraw/zinc/59/64/69/803596469.db2.gz LPVMQKUDXSRIMZ-KGYLQXTDSA-N 0 3 343.225 2.338 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC(=O)N3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355497 809903056 /nfs/dbraw/zinc/90/30/56/809903056.db2.gz HGKDQGGJVWIOLG-DZGCQCFKSA-N 0 3 347.415 2.231 20 5 EEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245665609 295934712 /nfs/dbraw/zinc/93/47/12/295934712.db2.gz GOQYSHNTQBNZIW-UPJWGTAASA-N 0 3 334.420 2.273 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000186808028 236028456 /nfs/dbraw/zinc/02/84/56/236028456.db2.gz HOKOFFUVHQIQTL-HNNXBMFYSA-N 0 3 338.429 2.226 20 5 EEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451634338 243184269 /nfs/dbraw/zinc/18/42/69/243184269.db2.gz UHXBRDKZMSOOMI-WDBKCZKBSA-N 0 3 337.376 2.088 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265248592 247336997 /nfs/dbraw/zinc/33/69/97/247336997.db2.gz JOAOKYDIPBABSA-CQSZACIVSA-N 0 3 343.387 2.021 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067991 256204319 /nfs/dbraw/zinc/20/43/19/256204319.db2.gz DLFZGROERHLTTA-NWDGAFQWSA-N 0 3 342.417 2.079 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000271725242 256237756 /nfs/dbraw/zinc/23/77/56/256237756.db2.gz RBKVJSUDQHZRTC-CABCVRRESA-N 0 3 326.418 2.083 20 5 EEBDHN O=C1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181172 159193419 /nfs/dbraw/zinc/19/34/19/159193419.db2.gz WPQOUXLCEHVVFB-GOEBONIOSA-N 0 3 329.400 2.269 20 5 EEBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000343078027 161101062 /nfs/dbraw/zinc/10/10/62/161101062.db2.gz ZTYLLFOTBHDYCF-ZIAGYGMSSA-N 0 3 335.404 2.353 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000344739578 161241779 /nfs/dbraw/zinc/24/17/79/161241779.db2.gz ZNUUTLLCLNICPJ-OAHLLOKOSA-N 0 3 335.404 2.210 20 5 EEBDHN Cn1cnc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000344921572 161256010 /nfs/dbraw/zinc/25/60/10/161256010.db2.gz QUYXFNFCHHHUIB-UHFFFAOYSA-N 0 3 327.344 2.316 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352574658 162194609 /nfs/dbraw/zinc/19/46/09/162194609.db2.gz IORNMOVYOKYPPF-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736087 163285866 /nfs/dbraw/zinc/28/58/66/163285866.db2.gz WCTMRHSFUMYWTI-GWCFXTLKSA-N 0 3 348.334 2.388 20 5 EEBDHN CN(C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000356285074 163392619 /nfs/dbraw/zinc/39/26/19/163392619.db2.gz UNNMGDCVUTWUCW-UHFFFAOYSA-N 0 3 330.388 2.102 20 5 EEBDHN CN1CCC(N2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850303 165294738 /nfs/dbraw/zinc/29/47/38/165294738.db2.gz KVMUUJHALBXBDM-LLVKDONJSA-N 0 3 340.374 2.453 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000271666530 268849149 /nfs/dbraw/zinc/84/91/49/268849149.db2.gz WFBZYABQVKLAJE-CABCVRRESA-N 0 3 325.434 2.223 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCCC2)c1 ZINC000280862800 269395066 /nfs/dbraw/zinc/39/50/66/269395066.db2.gz BEUJGVWCHCFGBH-UHFFFAOYSA-N 0 3 335.404 2.274 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000361011774 273778850 /nfs/dbraw/zinc/77/88/50/273778850.db2.gz DBEICSIDDSLVTC-OLZOCXBDSA-N 0 3 339.465 2.136 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269101304 274109873 /nfs/dbraw/zinc/10/98/73/274109873.db2.gz RVOMCYGHAIEDEW-NVXWUHKLSA-N 0 3 342.399 2.285 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000371349667 274364666 /nfs/dbraw/zinc/36/46/66/274364666.db2.gz LCLUPJQNMGKYAP-CJNGLKHVSA-N 0 3 336.411 2.196 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000278672429 274386354 /nfs/dbraw/zinc/38/63/54/274386354.db2.gz ODBNRWGAZMMRTM-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN CC1(C)C[C@H](NCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279044358 274428557 /nfs/dbraw/zinc/42/85/57/274428557.db2.gz JOWFTEVNXKQXBA-AWEZNQCLSA-N 0 3 326.418 2.342 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235062 274457780 /nfs/dbraw/zinc/45/77/80/274457780.db2.gz JLSONIWPZOABDL-GXFFZTMASA-N 0 3 341.795 2.327 20 5 EEBDHN Cc1c([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969925 274922964 /nfs/dbraw/zinc/92/29/64/274922964.db2.gz IJISQSBFAPIQRK-QWHCGFSZSA-N 0 3 326.418 2.379 20 5 EEBDHN Cc1c(Br)cc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287183122 274942645 /nfs/dbraw/zinc/94/26/45/274942645.db2.gz LSTVNXBILSRNCK-QMMMGPOBSA-N 0 3 344.209 2.346 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1COC[C@@H]1OC ZINC000290069866 275176651 /nfs/dbraw/zinc/17/66/51/275176651.db2.gz FZXOLFWCEAAEQD-OBJOEFQTSA-N 0 3 326.418 2.469 20 5 EEBDHN COCCCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000290807570 275241999 /nfs/dbraw/zinc/24/19/99/275241999.db2.gz ASBVLZCSOLSWPW-UHFFFAOYSA-N 0 3 349.431 2.097 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C ZINC000357857828 281361241 /nfs/dbraw/zinc/36/12/41/281361241.db2.gz GNEJKVOUQIHGHE-IAQYHMDHSA-N 0 3 331.376 2.048 20 5 EEBDHN Cc1c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000346719208 300914150 /nfs/dbraw/zinc/91/41/50/300914150.db2.gz KVDOYJFIVXNEIY-AWEZNQCLSA-N 0 3 335.404 2.086 20 5 EEBDHN CCN(CC)Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000161648758 311368621 /nfs/dbraw/zinc/36/86/21/311368621.db2.gz IZSQIAWZRVJRKH-UHFFFAOYSA-N 0 3 331.376 2.422 20 5 EEBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640230 312039057 /nfs/dbraw/zinc/03/90/57/312039057.db2.gz QUGIQVJZUNDCAJ-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420993665 314017619 /nfs/dbraw/zinc/01/76/19/314017619.db2.gz MAYZZZNWERNPLQ-ZIAGYGMSSA-N 0 3 340.330 2.138 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000421709461 314147912 /nfs/dbraw/zinc/14/79/12/314147912.db2.gz FJFWKBIMHNWEEP-LBPRGKRZSA-N 0 3 328.372 2.309 20 5 EEBDHN COCC(C)(C)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000425511986 314411248 /nfs/dbraw/zinc/41/12/48/314411248.db2.gz XPDQSCSMWKAUSA-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CS(C)(=O)=O)CC1 ZINC000538016948 318031743 /nfs/dbraw/zinc/03/17/43/318031743.db2.gz OICLQHNVKUPYEF-GFCCVEGCSA-N 0 3 326.418 2.379 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000567161620 319353590 /nfs/dbraw/zinc/35/35/90/319353590.db2.gz GGFPZKPSSZMEOO-KOLCDFICSA-N 0 3 342.808 2.144 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000567331540 319369739 /nfs/dbraw/zinc/36/97/39/319369739.db2.gz IQRSZAZLBYGFRR-IAQYHMDHSA-N 0 3 336.779 2.083 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOC2CCCCC2)c1 ZINC000567677031 319403521 /nfs/dbraw/zinc/40/35/21/319403521.db2.gz BRPSKCRAOQIXNZ-OAHLLOKOSA-N 0 3 338.404 2.273 20 5 EEBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691981 319405836 /nfs/dbraw/zinc/40/58/36/319405836.db2.gz LGCGDKABPFZTLD-GJZGRUSLSA-N 0 3 346.383 2.392 20 5 EEBDHN CC(C)Oc1cc(C(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000574380918 320019926 /nfs/dbraw/zinc/01/99/26/320019926.db2.gz KOTAGHDEGXZFKW-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578010801 320288851 /nfs/dbraw/zinc/28/88/51/320288851.db2.gz RQHOJXNCGLAYOE-LBPRGKRZSA-N 0 3 347.371 2.070 20 5 EEBDHN Cc1nc(C)c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000583199235 324613943 /nfs/dbraw/zinc/61/39/43/324613943.db2.gz FBBVPSZRBRSSFW-CYBMUJFWSA-N 0 3 337.401 2.198 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CC[C@@H](CO)O2)o1 ZINC000292829133 464355980 /nfs/dbraw/zinc/35/59/80/464355980.db2.gz XRWZKKNGBUIYDJ-OCCSQVGLSA-N 0 3 332.356 2.484 20 5 EEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193305626 465028815 /nfs/dbraw/zinc/02/88/15/465028815.db2.gz USYMRTSEGUVTDM-LBPRGKRZSA-N 0 3 329.422 2.007 20 5 EEBDHN CC(C)N1CCCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000339115866 465092446 /nfs/dbraw/zinc/09/24/46/465092446.db2.gz GFZSFFTUPLAMOZ-ZDUSSCGKSA-N 0 3 331.372 2.454 20 5 EEBDHN CO[C@]1(C)C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165382 465101016 /nfs/dbraw/zinc/10/10/16/465101016.db2.gz KSDVQQWQLCYBCJ-CRAIPNDOSA-N 0 3 347.415 2.277 20 5 EEBDHN COc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517619 465198384 /nfs/dbraw/zinc/19/83/84/465198384.db2.gz OLLLAFJJGMHRCF-UONOGXRCSA-N 0 3 331.376 2.468 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C ZINC000355000207 465216791 /nfs/dbraw/zinc/21/67/91/465216791.db2.gz MZQWYTYASMEZJT-NHYWBVRUSA-N 0 3 331.376 2.048 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341801333 465261349 /nfs/dbraw/zinc/26/13/49/465261349.db2.gz VLRAQTLTJMTWPU-DGCLKSJQSA-N 0 3 328.376 2.214 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000113197729 462576169 /nfs/dbraw/zinc/57/61/69/462576169.db2.gz SGUGWTKUVWAKNP-AWEZNQCLSA-N 0 3 334.420 2.387 20 5 EEBDHN CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074775107 462633895 /nfs/dbraw/zinc/63/38/95/462633895.db2.gz KVMKLQPUHQPNNF-HNNXBMFYSA-N 0 3 329.404 2.429 20 5 EEBDHN CC(C)[C@H](CNCc1csc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000064620259 462712311 /nfs/dbraw/zinc/71/23/11/462712311.db2.gz DZPIYQIEVDPKRU-AWEZNQCLSA-N 0 3 326.466 2.018 20 5 EEBDHN CCc1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000075624499 462741118 /nfs/dbraw/zinc/74/11/18/462741118.db2.gz VNSDAGKZNXGEKZ-GOSISDBHSA-N 0 3 344.415 2.379 20 5 EEBDHN CC(=O)c1ccc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000075669263 462748449 /nfs/dbraw/zinc/74/84/49/462748449.db2.gz ACEJGKIAJTWMSM-UHFFFAOYSA-N 0 3 334.420 2.235 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007850967 462754476 /nfs/dbraw/zinc/75/44/76/462754476.db2.gz VUKCFODIXGJVIG-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000133788143 462969735 /nfs/dbraw/zinc/96/97/35/462969735.db2.gz YIZOEEYECVFWFD-LLVKDONJSA-N 0 3 331.376 2.177 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000133787930 462969902 /nfs/dbraw/zinc/96/99/02/462969902.db2.gz YIZOEEYECVFWFD-NSHDSACASA-N 0 3 331.376 2.177 20 5 EEBDHN Cc1nn(CCC(=O)Nc2cccc(CN(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000069444443 463248093 /nfs/dbraw/zinc/24/80/93/463248093.db2.gz XYUQNFAGSMGMAE-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN Cc1cc(NC[C@H](C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083849 463317785 /nfs/dbraw/zinc/31/77/85/463317785.db2.gz WYWXLKCEEVFBMP-AWEZNQCLSA-N 0 3 343.431 2.499 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000139132173 463318220 /nfs/dbraw/zinc/31/82/20/463318220.db2.gz TXZLVXQHKGHQHK-UHFFFAOYSA-N 0 3 348.363 2.006 20 5 EEBDHN COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1[O-] ZINC000105442810 463452401 /nfs/dbraw/zinc/45/24/01/463452401.db2.gz NJVDXOMNZMDXAT-LLVKDONJSA-N 0 3 334.376 2.240 20 5 EEBDHN CN1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000124831468 463469516 /nfs/dbraw/zinc/46/95/16/463469516.db2.gz ZKQMYCWDQDQQFW-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN C[C@@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139554 463483146 /nfs/dbraw/zinc/48/31/46/463483146.db2.gz MHSRILMXVOGGOZ-RAEVTNRLSA-N 0 3 333.388 2.469 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000043884541 463661062 /nfs/dbraw/zinc/66/10/62/463661062.db2.gz ILCQMJROOCZVSW-CQSZACIVSA-N 0 3 349.435 2.038 20 5 EEBDHN CCN1CCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170902717 463737964 /nfs/dbraw/zinc/73/79/64/463737964.db2.gz QJXBMJOTCBKJOK-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN CNc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553776944 468379158 /nfs/dbraw/zinc/37/91/58/468379158.db2.gz REHQEDDNUJXNDS-DOMZBBRYSA-N 0 3 332.404 2.335 20 5 EEBDHN COc1ccc(CN2CCNC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262084019 463942970 /nfs/dbraw/zinc/94/29/70/463942970.db2.gz UCEGDLCJTSFCCN-INIZCTEOSA-N 0 3 328.372 2.145 20 5 EEBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579050 464026661 /nfs/dbraw/zinc/02/66/61/464026661.db2.gz YXCYCZJBSFRVJP-WBVHZDCISA-N 0 3 338.404 2.259 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CCCC2)CC1 ZINC000172419490 464077571 /nfs/dbraw/zinc/07/75/71/464077571.db2.gz RRCIHCHYZJCXNV-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000263786243 464190870 /nfs/dbraw/zinc/19/08/70/464190870.db2.gz PKGNTVKMWLWQLD-GFCCVEGCSA-N 0 3 335.404 2.209 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000179875292 464202615 /nfs/dbraw/zinc/20/26/15/464202615.db2.gz AQCWVTZBGXHGKA-OAHLLOKOSA-N 0 3 349.431 2.097 20 5 EEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188254778 464236613 /nfs/dbraw/zinc/23/66/13/464236613.db2.gz AJXVEVVPRGQZRL-UHFFFAOYSA-N 0 3 341.433 2.091 20 5 EEBDHN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180421931 464307721 /nfs/dbraw/zinc/30/77/21/464307721.db2.gz KLDDUYPZHDUBEU-GFCCVEGCSA-N 0 3 346.387 2.110 20 5 EEBDHN CCC[C@H](NCCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000271492917 464322596 /nfs/dbraw/zinc/32/25/96/464322596.db2.gz MADYVUQHEZVCSQ-HNNXBMFYSA-N 0 3 344.433 2.087 20 5 EEBDHN CN1CCC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292865775 464370364 /nfs/dbraw/zinc/37/03/64/464370364.db2.gz SLVWIQHRXOEYEX-SFHVURJKSA-N 0 3 344.415 2.402 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294280672 464453828 /nfs/dbraw/zinc/45/38/28/464453828.db2.gz FIZSKABLIGHGBF-OAHLLOKOSA-N 0 3 333.388 2.158 20 5 EEBDHN CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000272107899 464480867 /nfs/dbraw/zinc/48/08/67/464480867.db2.gz NTZCUBGAWVMSMZ-UHFFFAOYSA-N 0 3 327.331 2.239 20 5 EEBDHN COc1cc(CNCC2(C)COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272519207 464641934 /nfs/dbraw/zinc/64/19/34/464641934.db2.gz YDHUTTOJPONJNT-UHFFFAOYSA-N 0 3 346.330 2.373 20 5 EEBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176231721 464727344 /nfs/dbraw/zinc/72/73/44/464727344.db2.gz XKVOCLZGCNSBPL-UHFFFAOYSA-N 0 3 343.431 2.388 20 5 EEBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCO[C@H]21 ZINC000265971536 464754586 /nfs/dbraw/zinc/75/45/86/464754586.db2.gz KXMQZLHUOXRRSU-FVQBIDKESA-N 0 3 334.372 2.364 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295258072 464765221 /nfs/dbraw/zinc/76/52/21/464765221.db2.gz GQZYFTKHZGDZHO-LLVKDONJSA-N 0 3 339.367 2.345 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266697935 464791453 /nfs/dbraw/zinc/79/14/53/464791453.db2.gz GHPMZPIRZBQXSD-OAHLLOKOSA-N 0 3 334.420 2.311 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176720762 464832858 /nfs/dbraw/zinc/83/28/58/464832858.db2.gz PPAVKGSIQKPIIM-DZGCQCFKSA-N 0 3 332.404 2.454 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192131289 464871797 /nfs/dbraw/zinc/87/17/97/464871797.db2.gz FEUKSIMVLJSMCD-HUUCEWRRSA-N 0 3 338.314 2.189 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240477 464987902 /nfs/dbraw/zinc/98/79/02/464987902.db2.gz USSXWZUKSJLVMX-MEBBXXQBSA-N 0 3 337.807 2.390 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000356344269 465325680 /nfs/dbraw/zinc/32/56/80/465325680.db2.gz LKUYQDBXTHJYDP-IRZMVBRHSA-N 0 3 342.399 2.330 20 5 EEBDHN COc1ccc(NC(=O)[C@@H](C)SCCN(C)C)c([N+](=O)[O-])c1 ZINC000339742812 465481764 /nfs/dbraw/zinc/48/17/64/465481764.db2.gz NMSSZRHLLOLVDG-SNVBAGLBSA-N 0 3 327.406 2.225 20 5 EEBDHN CO[C@]1(C)CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000348239937 465506606 /nfs/dbraw/zinc/50/66/06/465506606.db2.gz QBDAZZCVJRODPJ-QGZVFWFLSA-N 0 3 349.387 2.394 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344611269 465722104 /nfs/dbraw/zinc/72/21/04/465722104.db2.gz MPZTYVPWCOBFIB-GFCCVEGCSA-N 0 3 337.424 2.121 20 5 EEBDHN COc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344640610 465742244 /nfs/dbraw/zinc/74/22/44/465742244.db2.gz ISLJUODNYPLQIQ-OAHLLOKOSA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc(OC2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000361309358 465899728 /nfs/dbraw/zinc/89/97/28/465899728.db2.gz OPHQIFKEWBWEGH-UHFFFAOYSA-N 0 3 349.431 2.160 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000346289683 466064007 /nfs/dbraw/zinc/06/40/07/466064007.db2.gz GDPHIGVVPNGMPF-SFHVURJKSA-N 0 3 346.431 2.341 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000303038297 466219045 /nfs/dbraw/zinc/21/90/45/466219045.db2.gz ROJPUZTXEIMYFG-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054210 466363813 /nfs/dbraw/zinc/36/38/13/466363813.db2.gz VDWQUEVSBLSTPE-RHSMWYFYSA-N 0 3 346.431 2.482 20 5 EEBDHN CN(CC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000347324120 466565361 /nfs/dbraw/zinc/56/53/61/466565361.db2.gz SRHZTAYTXRVGAB-OAHLLOKOSA-N 0 3 346.431 2.164 20 5 EEBDHN CCN(CC)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317825107 466583644 /nfs/dbraw/zinc/58/36/44/466583644.db2.gz VURHSNMVIPKBAE-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN CCc1ccc([C@@H](NC[C@@H]2CNCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580228 466777437 /nfs/dbraw/zinc/77/74/37/466777437.db2.gz XKVPUZHCZAHKFQ-WMZOPIPTSA-N 0 3 345.399 2.418 20 5 EEBDHN C[C@H]1C[C@@H](c2cccnc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447317 466882006 /nfs/dbraw/zinc/88/20/06/466882006.db2.gz MJHWVSTUDLYZEO-BBRMVZONSA-N 0 3 328.372 2.235 20 5 EEBDHN O=C1CCCN1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058702 466988935 /nfs/dbraw/zinc/98/89/35/466988935.db2.gz VODYNRUKNPCFPL-HNNXBMFYSA-N 0 3 347.415 2.451 20 5 EEBDHN COc1ccc(CN(C)C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000412098834 467007150 /nfs/dbraw/zinc/00/71/50/467007150.db2.gz YJNOZZFDCHTYBW-UHFFFAOYSA-N 0 3 337.420 2.146 20 5 EEBDHN CN1CCC(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000427966694 467189348 /nfs/dbraw/zinc/18/93/48/467189348.db2.gz SROOZKOILMEFEV-UHFFFAOYSA-N 0 3 333.388 2.048 20 5 EEBDHN CC(C)N1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000428244129 467215920 /nfs/dbraw/zinc/21/59/20/467215920.db2.gz ONOBNACBSQFVIB-QGZVFWFLSA-N 0 3 346.431 2.116 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CNCCO3)s2)cc1 ZINC000415093349 467488186 /nfs/dbraw/zinc/48/81/86/467488186.db2.gz HXSGKERSAOCASB-CQSZACIVSA-N 0 3 333.413 2.401 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457132130 467763221 /nfs/dbraw/zinc/76/32/21/467763221.db2.gz UJXZOWVXCAECBS-LBPRGKRZSA-N 0 3 331.376 2.026 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)c(OC(F)F)c1 ZINC000450590953 467875823 /nfs/dbraw/zinc/87/58/23/467875823.db2.gz FJFUPPSQXZJRHC-GFCCVEGCSA-N 0 3 345.346 2.455 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000551040346 468230729 /nfs/dbraw/zinc/23/07/29/468230729.db2.gz YOCPZQDARPKCDY-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN COc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594195744 468508074 /nfs/dbraw/zinc/50/80/74/468508074.db2.gz IOVRLAUNMJFFON-KGLIPLIRSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201691 468511343 /nfs/dbraw/zinc/51/13/43/468511343.db2.gz PGPZXFMAUZPWKO-OLZOCXBDSA-N 0 3 347.371 2.070 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCCN3)s2)cc1 ZINC000600776060 468654174 /nfs/dbraw/zinc/65/41/74/468654174.db2.gz OIBUVOUKJBHDKA-CYBMUJFWSA-N 0 3 333.413 2.401 20 5 EEBDHN COCCN1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010509 468742796 /nfs/dbraw/zinc/74/27/96/468742796.db2.gz XCUCENRWCDSEBC-ZDUSSCGKSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCSCC1 ZINC000595019018 468744195 /nfs/dbraw/zinc/74/41/95/468744195.db2.gz PKJABMAMQGKLQY-GFCCVEGCSA-N 0 3 325.434 2.303 20 5 EEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccsc1[N+](=O)[O-] ZINC000601110332 468744482 /nfs/dbraw/zinc/74/44/82/468744482.db2.gz ARWBRDLERKROJD-GFCCVEGCSA-N 0 3 326.422 2.011 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220048 468797097 /nfs/dbraw/zinc/79/70/97/468797097.db2.gz OJCYUEVDIYTYFG-NSHDSACASA-N 0 3 335.408 2.017 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595595024 468915332 /nfs/dbraw/zinc/91/53/32/468915332.db2.gz AURLPYRWXQILBO-INIZCTEOSA-N 0 3 338.379 2.391 20 5 EEBDHN COc1ccc(OCCN2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679058 468951485 /nfs/dbraw/zinc/95/14/85/468951485.db2.gz UQZUIOUYHQJMBZ-ZFWWWQNUSA-N 0 3 338.404 2.465 20 5 EEBDHN CN(C)CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598991606 469078789 /nfs/dbraw/zinc/07/87/89/469078789.db2.gz NUNHOYUTXGKCEB-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000602796677 469082756 /nfs/dbraw/zinc/08/27/56/469082756.db2.gz YLLOIJRVGBYCRE-MRXNPFEDSA-N 0 3 340.387 2.327 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCN(C2CC2)C1 ZINC000596091487 469151229 /nfs/dbraw/zinc/15/12/29/469151229.db2.gz KXQIWBIWLQXNFY-HNNXBMFYSA-N 0 3 346.431 2.076 20 5 EEBDHN Cc1cccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603423949 469391341 /nfs/dbraw/zinc/39/13/41/469391341.db2.gz RURQMTSRCZIYJD-MRXNPFEDSA-N 0 3 348.447 2.112 20 5 EEBDHN COc1ccc(C)cc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603557386 469411896 /nfs/dbraw/zinc/41/18/96/469411896.db2.gz KAGMWVRIICQDBX-INIZCTEOSA-N 0 3 346.383 2.441 20 5 EEBDHN COc1cc(CNCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000617857177 469824108 /nfs/dbraw/zinc/82/41/08/469824108.db2.gz OGZFSYXSZPEQRC-VIFPVBQESA-N 0 3 334.319 2.108 20 5 EEBDHN CN(C)C[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609153973 469897374 /nfs/dbraw/zinc/89/73/74/469897374.db2.gz LMJGXIASPXGWCA-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000192496887 534888584 /nfs/dbraw/zinc/88/85/84/534888584.db2.gz PLLFADBONLUTKI-NEPJUHHUSA-N 0 3 326.422 2.231 20 5 EEBDHN CC(C)OC(=O)C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181831995 527804158 /nfs/dbraw/zinc/80/41/58/527804158.db2.gz UIGUZHZBTAXVBX-INIZCTEOSA-N 0 3 346.387 2.464 20 5 EEBDHN CCOC(=O)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153732342 528683824 /nfs/dbraw/zinc/68/38/24/528683824.db2.gz FNKIFNJOKXPDQE-INIZCTEOSA-N 0 3 336.388 2.293 20 5 EEBDHN CN1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756950458 577853663 /nfs/dbraw/zinc/85/36/63/577853663.db2.gz DSCDUBCDMAEDKD-LLVKDONJSA-N 0 3 340.811 2.389 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233479 683505001 /nfs/dbraw/zinc/50/50/01/683505001.db2.gz VMJSPZLNSWXMGS-SCZZXKLOSA-N 0 3 342.783 2.483 20 5 EEBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000893044552 683634957 /nfs/dbraw/zinc/63/49/57/683634957.db2.gz KHPQYRODLZNOTC-MNOVXSKESA-N 0 3 330.381 2.088 20 5 EEBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000893044550 683635057 /nfs/dbraw/zinc/63/50/57/683635057.db2.gz KHPQYRODLZNOTC-GHMZBOCLSA-N 0 3 330.381 2.088 20 5 EEBDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677561 1186948760 /nfs/dbraw/zinc/94/87/60/1186948760.db2.gz OVZCUTWZNSWJEW-ZFWWWQNUSA-N 0 3 344.795 2.158 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873023390 1198477105 /nfs/dbraw/zinc/47/71/05/1198477105.db2.gz ZXNDIOFOVUBSKN-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc2c1OCC2 ZINC001134205264 1199385000 /nfs/dbraw/zinc/38/50/00/1199385000.db2.gz ONKMEMGFTKIDJV-UHFFFAOYSA-N 0 3 341.367 2.049 20 5 EEBDHN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813100674 1201096225 /nfs/dbraw/zinc/09/62/25/1201096225.db2.gz VGAQWCNRGWVFPE-KGLIPLIRSA-N 0 3 349.387 2.447 20 5 EEBDHN COc1ccc2c(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(=O)oc2c1 ZINC000813107482 1201118949 /nfs/dbraw/zinc/11/89/49/1201118949.db2.gz OOMAZJXNRSVDIR-JTQLQIEISA-N 0 3 349.339 2.251 20 5 EEBDHN CC(COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111434 1201123516 /nfs/dbraw/zinc/12/35/16/1201123516.db2.gz HFLIOBOWTHFUOB-VHSXEESVSA-N 0 3 344.364 2.094 20 5 EEBDHN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000932447019 1207608833 /nfs/dbraw/zinc/60/88/33/1207608833.db2.gz QNVQDRLBEMFDIQ-UHFFFAOYSA-N 0 3 330.388 2.310 20 5 EEBDHN CN(C)C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc2O1 ZINC000827095862 1249871083 /nfs/dbraw/zinc/87/10/83/1249871083.db2.gz MNYUSHQPZWTMHQ-ZDUSSCGKSA-N 0 3 335.404 2.178 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101406616 1245777914 /nfs/dbraw/zinc/77/79/14/1245777914.db2.gz YMSBPYWKNAVOBO-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN Cn1nccc1[C@@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801561 1293639108 /nfs/dbraw/zinc/63/91/08/1293639108.db2.gz STGQNXPAAWTCLW-SFHVURJKSA-N 0 3 344.415 2.316 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1csc(C2CC2)n1 ZINC001153401981 1316822668 /nfs/dbraw/zinc/82/26/68/1316822668.db2.gz FZDXHWDSGOTWGU-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN Cc1cnc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254611783 1318144451 /nfs/dbraw/zinc/14/44/51/1318144451.db2.gz SYNNBRQPBCROPI-IAGOWNOFSA-N 0 3 340.383 2.314 20 5 EEBDHN O=C(CCc1ccncc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001161618179 1320561135 /nfs/dbraw/zinc/56/11/35/1320561135.db2.gz ASQIQQQDFCULJX-UHFFFAOYSA-N 0 3 348.428 2.280 20 5 EEBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162779388 1320956085 /nfs/dbraw/zinc/95/60/85/1320956085.db2.gz YXNRUEIJYYJKRZ-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN COCCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163052156 1321023825 /nfs/dbraw/zinc/02/38/25/1321023825.db2.gz PDFJOPOQXRHTFR-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CCOc1cc(Cn2cc(CNCC3CC3)nn2)ccc1[N+](=O)[O-] ZINC001331884260 1335664761 /nfs/dbraw/zinc/66/47/61/1335664761.db2.gz LONXYRWHXAWUPD-UHFFFAOYSA-N 0 3 331.376 2.133 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC[NH2+]C1CCCCC1 ZINC001609602992 1352032030 /nfs/dbraw/zinc/03/20/30/1352032030.db2.gz SVEPUYZQKUKLTG-UHFFFAOYSA-N 0 3 345.407 2.499 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC[NH2+]C1CCCCC1 ZINC001609602992 1352032031 /nfs/dbraw/zinc/03/20/31/1352032031.db2.gz SVEPUYZQKUKLTG-UHFFFAOYSA-N 0 3 345.407 2.499 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589714199 1349024123 /nfs/dbraw/zinc/02/41/23/1349024123.db2.gz FFCJMDHCGWJVCO-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589714199 1349024130 /nfs/dbraw/zinc/02/41/30/1349024130.db2.gz FFCJMDHCGWJVCO-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589714199 1349024135 /nfs/dbraw/zinc/02/41/35/1349024135.db2.gz FFCJMDHCGWJVCO-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589714199 1349024140 /nfs/dbraw/zinc/02/41/40/1349024140.db2.gz FFCJMDHCGWJVCO-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261878 1349238163 /nfs/dbraw/zinc/23/81/63/1349238163.db2.gz ZBFTYKOGMPJCHZ-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590261878 1349238168 /nfs/dbraw/zinc/23/81/68/1349238168.db2.gz ZBFTYKOGMPJCHZ-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261878 1349238172 /nfs/dbraw/zinc/23/81/72/1349238172.db2.gz ZBFTYKOGMPJCHZ-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001590261878 1349238176 /nfs/dbraw/zinc/23/81/76/1349238176.db2.gz ZBFTYKOGMPJCHZ-RYUDHWBXSA-N 0 3 345.407 2.307 20 5 EEBDHN CCCN(CC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590625426 1349379533 /nfs/dbraw/zinc/37/95/33/1349379533.db2.gz ZAWJJFCEXKNVIL-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCC[NH2+]C1CCCCC1 ZINC001593474695 1349808540 /nfs/dbraw/zinc/80/85/40/1349808540.db2.gz GAJZXFCVCIMNOY-UHFFFAOYSA-N 0 3 345.407 2.499 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCC[NH2+]C1CCCCC1 ZINC001593474695 1349808542 /nfs/dbraw/zinc/80/85/42/1349808542.db2.gz GAJZXFCVCIMNOY-UHFFFAOYSA-N 0 3 345.407 2.499 20 5 EEBDHN Cc1ccc(NC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000702408383 1367127312 /nfs/dbraw/zinc/12/73/12/1367127312.db2.gz IWKGWVYNZJBQOB-MRXNPFEDSA-N 0 3 342.399 2.301 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N(C)C ZINC001116039083 1371718576 /nfs/dbraw/zinc/71/85/76/1371718576.db2.gz KQMGLMSIAPFOOR-ZIAGYGMSSA-N 0 3 341.433 2.054 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000894084195 780494568 /nfs/dbraw/zinc/49/45/68/780494568.db2.gz RWXWLVBRQFYUNT-CQSZACIVSA-N 0 3 329.404 2.287 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1c[nH]cc1C1CC1 ZINC001136072473 785099800 /nfs/dbraw/zinc/09/98/00/785099800.db2.gz YBNUJJMUAJQVJG-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN Cc1cc(NC/C=C\CNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001107232831 786546174 /nfs/dbraw/zinc/54/61/74/786546174.db2.gz JCLJHKAUAIZXLV-WAYWQWQTSA-N 0 3 334.420 2.328 20 5 EEBDHN CC(C)c1nocc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129279871 788927412 /nfs/dbraw/zinc/92/74/12/788927412.db2.gz XZVFTSAECQSSPL-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CCCc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001146288902 791162842 /nfs/dbraw/zinc/16/28/42/791162842.db2.gz JISDILHOUNDWPZ-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1coc(C2CCC2)n1 ZINC001147095441 791697602 /nfs/dbraw/zinc/69/76/02/791697602.db2.gz CICLYRXSGANWQB-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CO)c2cccnc2)c1F ZINC001173180526 797278562 /nfs/dbraw/zinc/27/85/62/797278562.db2.gz RGQLKUPKVQOYMC-RISCZKNCSA-N 0 3 349.362 2.392 20 5 EEBDHN COCCC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001204231858 799668013 /nfs/dbraw/zinc/66/80/13/799668013.db2.gz RCYJUPOVBMBOQE-UHFFFAOYSA-N 0 3 341.433 2.021 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001086308548 802708744 /nfs/dbraw/zinc/70/87/44/802708744.db2.gz FFTBBQWMMDPXGK-NNUKFRKNSA-N 0 3 329.356 2.486 20 5 EEBDHN CC(C)(C)OC(=O)NC[C@]1(F)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041013 803583625 /nfs/dbraw/zinc/58/36/25/803583625.db2.gz AJHXVUOQCKJHEE-HEHGZKQESA-N 0 3 345.415 2.371 20 5 EEBDHN COc1ccc(C[C@H](C)NCc2cn3cccnc3n2)c([N+](=O)[O-])c1 ZINC001170298578 809870747 /nfs/dbraw/zinc/87/07/47/809870747.db2.gz MPCGOTMVWKLVLA-LBPRGKRZSA-N 0 3 341.371 2.367 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccn2ccccc12 ZINC001131173356 812507964 /nfs/dbraw/zinc/50/79/64/812507964.db2.gz JAVUXHQSAZKBPO-UHFFFAOYSA-N 0 3 338.367 2.367 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183547161 235134828 /nfs/dbraw/zinc/13/48/28/235134828.db2.gz AOSAUZDLSINJMT-UHFFFAOYSA-N 0 3 329.360 2.373 20 5 EEBDHN CCS(=O)(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000131747775 223266150 /nfs/dbraw/zinc/26/61/50/223266150.db2.gz BDQACRCLWVKOSM-UHFFFAOYSA-N 0 3 343.449 2.135 20 5 EEBDHN Cc1c(CC(=O)N2CCC(OCCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000438834405 242053382 /nfs/dbraw/zinc/05/33/82/242053382.db2.gz SMEJNQFRPAWOGL-UHFFFAOYSA-N 0 3 349.431 2.015 20 5 EEBDHN C[C@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCCN1C ZINC000447803873 242318526 /nfs/dbraw/zinc/31/85/26/242318526.db2.gz CGYJVQSENZEGOF-GOEBONIOSA-N 0 3 348.447 2.322 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602117 243173746 /nfs/dbraw/zinc/17/37/46/243173746.db2.gz INFUAJYNFABUMS-CRAIPNDOSA-N 0 3 347.415 2.228 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772197 245243362 /nfs/dbraw/zinc/24/33/62/245243362.db2.gz SBSNARMRFKKJPA-JKSUJKDBSA-N 0 3 345.399 2.031 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C)CC1 ZINC000264954851 247083928 /nfs/dbraw/zinc/08/39/28/247083928.db2.gz WDICNYLPHKWQEK-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CC(C)N(Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534862 248349678 /nfs/dbraw/zinc/34/96/78/248349678.db2.gz NTTVNWGFBUDOKN-OAHLLOKOSA-N 0 3 336.367 2.202 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCN1CCCCC1 ZINC000117756413 221086662 /nfs/dbraw/zinc/08/66/62/221086662.db2.gz XVMYLKVARJEIGF-UHFFFAOYSA-N 0 3 325.796 2.393 20 5 EEBDHN CN(C)[C@]1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267134742 256031148 /nfs/dbraw/zinc/03/11/48/256031148.db2.gz BKOSUGIJDKSAEW-WAVCKPEOSA-N 0 3 335.429 2.162 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000267863920 256092481 /nfs/dbraw/zinc/09/24/81/256092481.db2.gz BCEPWZNEJVFYNZ-GXTWGEPZSA-N 0 3 332.404 2.062 20 5 EEBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419608 256133677 /nfs/dbraw/zinc/13/36/77/256133677.db2.gz GIWUSFGTNLLWMC-SJKOYZFVSA-N 0 3 349.387 2.245 20 5 EEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491574 256140705 /nfs/dbraw/zinc/14/07/05/256140705.db2.gz MIMYLOVIBUQDLJ-VUCTXSBTSA-N 0 3 345.399 2.471 20 5 EEBDHN Cc1cc(N2CCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000274095016 256353579 /nfs/dbraw/zinc/35/35/79/256353579.db2.gz UXFJQBAKHHDVER-ZDUSSCGKSA-N 0 3 349.412 2.465 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414504181 533559365 /nfs/dbraw/zinc/55/93/65/533559365.db2.gz XOPTUORHCHXKQX-CMPLNLGQSA-N 0 3 340.401 2.130 20 5 EEBDHN CCN(CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078454455 159118400 /nfs/dbraw/zinc/11/84/00/159118400.db2.gz UHHUJBRHGINMRB-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000246874493 160298838 /nfs/dbraw/zinc/29/88/38/160298838.db2.gz USOWQWUIEXIXKT-DOTOQJQBSA-N 0 3 331.416 2.470 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248463603 160347893 /nfs/dbraw/zinc/34/78/93/160347893.db2.gz QRQTWBDOWBYIEV-CJNGLKHVSA-N 0 3 340.445 2.408 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCN1C ZINC000343572182 161147765 /nfs/dbraw/zinc/14/77/65/161147765.db2.gz VGJGCFHFWXWKRO-SMDDNHRTSA-N 0 3 328.372 2.356 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344099387 161198326 /nfs/dbraw/zinc/19/83/26/161198326.db2.gz AZCQMXKTYSVMRF-DUVNUKRYSA-N 0 3 335.379 2.471 20 5 EEBDHN CN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344499600 161234068 /nfs/dbraw/zinc/23/40/68/161234068.db2.gz WBLOGNROJCCGSU-UHFFFAOYSA-N 0 3 325.796 2.345 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000344845202 161250424 /nfs/dbraw/zinc/25/04/24/161250424.db2.gz ZOCVYHHWCCFHOG-ZIAGYGMSSA-N 0 3 335.404 2.271 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CC=C(C)CC2)c1 ZINC000345024172 161264723 /nfs/dbraw/zinc/26/47/23/161264723.db2.gz YFMBROUWTSJCBC-UHFFFAOYSA-N 0 3 347.415 2.440 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000345119436 161273365 /nfs/dbraw/zinc/27/33/65/161273365.db2.gz RETCFXKIOURAAX-CQSZACIVSA-N 0 3 332.404 2.015 20 5 EEBDHN COC(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345311804 161291106 /nfs/dbraw/zinc/29/11/06/161291106.db2.gz ZRVWUZWIGLQUQT-UHFFFAOYSA-N 0 3 349.387 2.199 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346125777 161359439 /nfs/dbraw/zinc/35/94/39/161359439.db2.gz AMGLXLREIXQGNA-RYUDHWBXSA-N 0 3 337.424 2.263 20 5 EEBDHN C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC000348211270 161485281 /nfs/dbraw/zinc/48/52/81/161485281.db2.gz RDWPBHZSNBCWDO-CQSZACIVSA-N 0 3 347.415 2.449 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151839995 292480165 /nfs/dbraw/zinc/48/01/65/292480165.db2.gz LMCUXEMFEKXIRR-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000360087231 164230006 /nfs/dbraw/zinc/23/00/06/164230006.db2.gz WFQBAAPXKYQECR-ZDUSSCGKSA-N 0 3 337.445 2.487 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000374871963 167056797 /nfs/dbraw/zinc/05/67/97/167056797.db2.gz CSBPIKMMBQEDHD-SWLSCSKDSA-N 0 3 333.388 2.160 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000278406816 269229495 /nfs/dbraw/zinc/22/94/95/269229495.db2.gz FAFIGQKCQLNXIP-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824232 269392605 /nfs/dbraw/zinc/39/26/05/269392605.db2.gz KHCNTJCVNUIDJY-WCQYABFASA-N 0 3 341.358 2.277 20 5 EEBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000272554451 274175226 /nfs/dbraw/zinc/17/52/26/274175226.db2.gz RYANZAOGAUAXQF-CXAGYDPISA-N 0 3 343.431 2.490 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277558680 274309181 /nfs/dbraw/zinc/30/91/81/274309181.db2.gz PDOSUJWMNZZHPJ-CYBMUJFWSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374314788 274723683 /nfs/dbraw/zinc/72/36/83/274723683.db2.gz XJAWXRMQTZDAOR-QAPCUYQASA-N 0 3 332.448 2.365 20 5 EEBDHN O=C1C[C@@H](N2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924182 275019695 /nfs/dbraw/zinc/01/96/95/275019695.db2.gz BNRXEXPUSIVGPA-DVOMOZLQSA-N 0 3 343.383 2.349 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(C2CCOCC2)CC1 ZINC000450365579 275039588 /nfs/dbraw/zinc/03/95/88/275039588.db2.gz OZJIMSXKYNZDIT-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453598 275059987 /nfs/dbraw/zinc/05/99/87/275059987.db2.gz PPDWDDZZDZBRAC-JQWIXIFHSA-N 0 3 336.367 2.015 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCCCC2)c2ccncc21 ZINC000289146857 275101308 /nfs/dbraw/zinc/10/13/08/275101308.db2.gz OTBWFSAEIRYWSJ-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292089360 275374524 /nfs/dbraw/zinc/37/45/24/275374524.db2.gz FGCCPDCGOKIZGJ-INIZCTEOSA-N 0 3 335.429 2.485 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCCS(C)(=O)=O ZINC000271074595 276628957 /nfs/dbraw/zinc/62/89/57/276628957.db2.gz GCSMWMWXGMUHOZ-GFCCVEGCSA-N 0 3 346.474 2.490 20 5 EEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000090538987 288043047 /nfs/dbraw/zinc/04/30/47/288043047.db2.gz MLGDMIPSDRBQOQ-AWEZNQCLSA-N 0 3 332.360 2.303 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCN1CCOCC1 ZINC000076897616 279966195 /nfs/dbraw/zinc/96/61/95/279966195.db2.gz RNGNEKOUGQOLBC-CQSZACIVSA-N 0 3 337.420 2.194 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000152556301 290244368 /nfs/dbraw/zinc/24/43/68/290244368.db2.gz PCJVEOMXKJXUJN-HIFRSBDPSA-N 0 3 344.415 2.400 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795140 294343128 /nfs/dbraw/zinc/34/31/28/294343128.db2.gz XSUNEOAYNLGPEV-DUVNUKRYSA-N 0 3 332.404 2.391 20 5 EEBDHN CC1CCN(C[C@@H](O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301760590 294891180 /nfs/dbraw/zinc/89/11/80/294891180.db2.gz BFQIHEWJZJKZCV-LBPRGKRZSA-N 0 3 329.347 2.378 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000346181177 295253295 /nfs/dbraw/zinc/25/32/95/295253295.db2.gz HWKFJEBLHJHXMT-PBFPGSCMSA-N 0 3 347.415 2.406 20 5 EEBDHN Nc1c(C(=O)N2CCC[C@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000176432365 295345020 /nfs/dbraw/zinc/34/50/20/295345020.db2.gz CHLKZARZQAFDOS-ZDUSSCGKSA-N 0 3 332.404 2.268 20 5 EEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000190997620 295356857 /nfs/dbraw/zinc/35/68/57/295356857.db2.gz SAEXARGIYLGYNK-CQSZACIVSA-N 0 3 332.404 2.268 20 5 EEBDHN CC[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414519906 313035778 /nfs/dbraw/zinc/03/57/78/313035778.db2.gz CRLDIXJFNYKYJJ-LRDDRELGSA-N 0 3 326.393 2.497 20 5 EEBDHN NC(=O)C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444670975 315315079 /nfs/dbraw/zinc/31/50/79/315315079.db2.gz HHGQOIJQKOQPHW-CQSZACIVSA-N 0 3 345.403 2.385 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546562753 318252806 /nfs/dbraw/zinc/25/28/06/318252806.db2.gz IDZZMJZWAWNJIF-LBPRGKRZSA-N 0 3 337.395 2.470 20 5 EEBDHN CC(C)[C@@H]1C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563806486 319044717 /nfs/dbraw/zinc/04/47/17/319044717.db2.gz XKEGIDOAJHBLDW-WFASDCNBSA-N 0 3 326.418 2.250 20 5 EEBDHN Cc1nn(C)cc1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377555 319375006 /nfs/dbraw/zinc/37/50/06/319375006.db2.gz SECZHLIBCWFBNV-LLVKDONJSA-N 0 3 331.376 2.316 20 5 EEBDHN CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000182355850 323373446 /nfs/dbraw/zinc/37/34/46/323373446.db2.gz ZXJFEUCVONEMRS-XHSDSOJGSA-N 0 3 333.388 2.247 20 5 EEBDHN O=[N+]([O-])c1cccc(CCNCCS(=O)(=O)c2ccccc2)c1 ZINC000579948272 323961809 /nfs/dbraw/zinc/96/18/09/323961809.db2.gz XBTTVGLUFBSPQN-UHFFFAOYSA-N 0 3 334.397 2.201 20 5 EEBDHN CC(C)NC(=O)c1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000184787962 465026380 /nfs/dbraw/zinc/02/63/80/465026380.db2.gz FVBKSCRYARFAIA-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000341211751 465058384 /nfs/dbraw/zinc/05/83/84/465058384.db2.gz PMFJDJOJEREHAB-FUHWJXTLSA-N 0 3 346.383 2.048 20 5 EEBDHN CC[C@H](C)N1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296083804 465075686 /nfs/dbraw/zinc/07/56/86/465075686.db2.gz SRHDGHRXZGXZTB-ZDUSSCGKSA-N 0 3 335.404 2.231 20 5 EEBDHN Cn1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000358767686 465310382 /nfs/dbraw/zinc/31/03/82/465310382.db2.gz ZGKHBVQCFBNTKT-OAHLLOKOSA-N 0 3 342.399 2.328 20 5 EEBDHN C[C@@H]1CCN(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048269 468302926 /nfs/dbraw/zinc/30/29/26/468302926.db2.gz MSZQGPGKSODDFY-PBHICJAKSA-N 0 3 343.431 2.349 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000085408908 462545638 /nfs/dbraw/zinc/54/56/38/462545638.db2.gz ZDHRVMTUOCAJHI-ZFWWWQNUSA-N 0 3 334.420 2.119 20 5 EEBDHN CCC1(CO)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128191883 462617500 /nfs/dbraw/zinc/61/75/00/462617500.db2.gz WFKSYBVFXXDLSA-UHFFFAOYSA-N 0 3 338.404 2.467 20 5 EEBDHN NC(=O)CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065209165 462743371 /nfs/dbraw/zinc/74/33/71/462743371.db2.gz RPZQEQXJHKEZQS-UHFFFAOYSA-N 0 3 343.383 2.351 20 5 EEBDHN C[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008222358 462774008 /nfs/dbraw/zinc/77/40/08/462774008.db2.gz FWCKMAHZFQNHPP-CHWSQXEVSA-N 0 3 341.433 2.041 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090574073 462800301 /nfs/dbraw/zinc/80/03/01/462800301.db2.gz DYGNFFOAFUCVJV-DCGLDWPTSA-N 0 3 337.420 2.363 20 5 EEBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067270852 462985009 /nfs/dbraw/zinc/98/50/09/462985009.db2.gz BFDUTYAZDDTOCN-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1cc(CNC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O ZINC000077460402 462990734 /nfs/dbraw/zinc/99/07/34/462990734.db2.gz LNYWNPWGZWZZJE-OAHLLOKOSA-N 0 3 338.385 2.368 20 5 EEBDHN Cc1nn(C)c(N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051502427 463038600 /nfs/dbraw/zinc/03/86/00/463038600.db2.gz NIFWCAZXJWSGIV-UHFFFAOYSA-N 0 3 329.404 2.349 20 5 EEBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468046 463140815 /nfs/dbraw/zinc/14/08/15/463140815.db2.gz WYBCJINSPUUMFJ-MRXNPFEDSA-N 0 3 344.415 2.492 20 5 EEBDHN CN(C)Cc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000568581320 468356706 /nfs/dbraw/zinc/35/67/06/468356706.db2.gz IZSZWENHGVFQMM-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755534 463421670 /nfs/dbraw/zinc/42/16/70/463421670.db2.gz RITSJKALLWONGU-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346283 463600621 /nfs/dbraw/zinc/60/06/21/463600621.db2.gz IWXXOUHUTUZSLB-AWEZNQCLSA-N 0 3 334.420 2.245 20 5 EEBDHN CC(C)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964275 463637828 /nfs/dbraw/zinc/63/78/28/463637828.db2.gz PNKJHDCIJNKAFM-BBRMVZONSA-N 0 3 335.404 2.129 20 5 EEBDHN CC(C)(C)[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000109331945 463639551 /nfs/dbraw/zinc/63/95/51/463639551.db2.gz HQBWCZWOUZWLPJ-HNNXBMFYSA-N 0 3 346.387 2.282 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009290 463732438 /nfs/dbraw/zinc/73/24/38/463732438.db2.gz RUBWNDVUTPLQFH-LLVKDONJSA-N 0 3 337.767 2.004 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009290 463732440 /nfs/dbraw/zinc/73/24/40/463732440.db2.gz RUBWNDVUTPLQFH-LLVKDONJSA-N 0 3 337.767 2.004 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000177755461 463783319 /nfs/dbraw/zinc/78/33/19/463783319.db2.gz YESHIYJAJKZMGM-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000171265028 463830778 /nfs/dbraw/zinc/83/07/78/463830778.db2.gz AGKKRPXZQDQJEM-UPJWGTAASA-N 0 3 335.404 2.481 20 5 EEBDHN CCC[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269059009 463862265 /nfs/dbraw/zinc/86/22/65/463862265.db2.gz UAEOBZIAHHUJMX-JTQLQIEISA-N 0 3 348.325 2.269 20 5 EEBDHN Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000269312114 463949809 /nfs/dbraw/zinc/94/98/09/463949809.db2.gz AJMDRTSBSDGLGY-JTQLQIEISA-N 0 3 334.380 2.012 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269397961 463976083 /nfs/dbraw/zinc/97/60/83/463976083.db2.gz NEQLFIAEOOJNBG-NEPJUHHUSA-N 0 3 337.424 2.292 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCN(C2CC2)CC1 ZINC000195369757 464046575 /nfs/dbraw/zinc/04/65/75/464046575.db2.gz HKHZNWQTWCTKKA-UHFFFAOYSA-N 0 3 333.388 2.094 20 5 EEBDHN C[C@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000263786245 464191543 /nfs/dbraw/zinc/19/15/43/464191543.db2.gz PKGNTVKMWLWQLD-LBPRGKRZSA-N 0 3 335.404 2.209 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000591040988 468398607 /nfs/dbraw/zinc/39/86/07/468398607.db2.gz VJQZIIUXMPVVQI-DOMZBBRYSA-N 0 3 349.387 2.043 20 5 EEBDHN CNCc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000237212387 464284389 /nfs/dbraw/zinc/28/43/89/464284389.db2.gz CCKGAJZDEQMIBX-UHFFFAOYSA-N 0 3 331.376 2.156 20 5 EEBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N(C)C ZINC000271977585 464434848 /nfs/dbraw/zinc/43/48/48/464434848.db2.gz DFEMKTBCAWDMGD-TZMCWYRMSA-N 0 3 336.417 2.213 20 5 EEBDHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146930 464495448 /nfs/dbraw/zinc/49/54/48/464495448.db2.gz WLGGWWJQKUTWIQ-DYVFJYSZSA-N 0 3 347.415 2.415 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272519358 464642650 /nfs/dbraw/zinc/64/26/50/464642650.db2.gz PSFSRCYWNLGGDR-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272523667 464643719 /nfs/dbraw/zinc/64/37/19/464643719.db2.gz LSDNQNZCUFHMKO-UHFFFAOYSA-N 0 3 349.416 2.013 20 5 EEBDHN CCN(CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585594 464669697 /nfs/dbraw/zinc/66/96/97/464669697.db2.gz YXODWYZYGDDDNC-QGZVFWFLSA-N 0 3 343.431 2.492 20 5 EEBDHN C[C@H](CO)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000276463279 464941437 /nfs/dbraw/zinc/94/14/37/464941437.db2.gz OWXBFVSVUKQTTQ-CYBMUJFWSA-N 0 3 347.415 2.109 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351902653 465431334 /nfs/dbraw/zinc/43/13/34/465431334.db2.gz VGYPAPBLJXLCGB-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN CCOC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000348441276 465609102 /nfs/dbraw/zinc/60/91/02/465609102.db2.gz KMKBOVLVYVREDS-CQSZACIVSA-N 0 3 339.392 2.193 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC[C@@H](C)C1 ZINC000299246938 465664727 /nfs/dbraw/zinc/66/47/27/465664727.db2.gz CXKKRSUDYOUVMD-GHMZBOCLSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000338027509 465761765 /nfs/dbraw/zinc/76/17/65/465761765.db2.gz JEBJZBNWQAWZFT-MCIONIFRSA-N 0 3 334.420 2.384 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331432683 466081447 /nfs/dbraw/zinc/08/14/47/466081447.db2.gz JSFLUJRCIAKVBY-HUUCEWRRSA-N 0 3 347.415 2.227 20 5 EEBDHN COC(=O)c1cnc(N[C@@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302780958 466184084 /nfs/dbraw/zinc/18/40/84/466184084.db2.gz RSQHXRIVCWMWNW-CQSZACIVSA-N 0 3 348.403 2.453 20 5 EEBDHN CS(=O)(=O)c1ccc(N[C@@H]2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000322638529 466634129 /nfs/dbraw/zinc/63/41/29/466634129.db2.gz XGQMTOOVGOHBGA-NEPJUHHUSA-N 0 3 339.417 2.037 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCc2ccccc2F)c1 ZINC000324483091 466647670 /nfs/dbraw/zinc/64/76/70/466647670.db2.gz JKBHYLDPHTXYKM-MRXNPFEDSA-N 0 3 334.347 2.401 20 5 EEBDHN Cc1ccc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000373283296 466752752 /nfs/dbraw/zinc/75/27/52/466752752.db2.gz GGLWZUCGONTVRV-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN CS(=O)(=O)CCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315346 466831404 /nfs/dbraw/zinc/83/14/04/466831404.db2.gz SGOSJKMJHBTDRG-HNNXBMFYSA-N 0 3 326.418 2.387 20 5 EEBDHN COc1ccc(NC(=O)CNC2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375703251 466866325 /nfs/dbraw/zinc/86/63/25/466866325.db2.gz WQQPGYDEHMQANT-UHFFFAOYSA-N 0 3 349.387 2.091 20 5 EEBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000370503800 466904467 /nfs/dbraw/zinc/90/44/67/466904467.db2.gz YTSBXYTUPUSAGW-LLVKDONJSA-N 0 3 331.328 2.157 20 5 EEBDHN CCc1ccccc1[C@H](N)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423985751 466937418 /nfs/dbraw/zinc/93/74/18/466937418.db2.gz VLPXOLJJNMTSRD-OAHLLOKOSA-N 0 3 343.383 2.352 20 5 EEBDHN Cc1c(CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425736991 467127807 /nfs/dbraw/zinc/12/78/07/467127807.db2.gz HWMFFNATDNCPKS-GOEBONIOSA-N 0 3 332.404 2.139 20 5 EEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970291 467189744 /nfs/dbraw/zinc/18/97/44/467189744.db2.gz YOYKVOBQFOVYGY-CHWSQXEVSA-N 0 3 333.388 2.189 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1CC(C)(C)O ZINC000413248559 467196804 /nfs/dbraw/zinc/19/68/04/467196804.db2.gz OFFMZTCLQSHVOW-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413259579 467199215 /nfs/dbraw/zinc/19/92/15/467199215.db2.gz QGZVKCNBLHODPS-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000451080222 467242040 /nfs/dbraw/zinc/24/20/40/467242040.db2.gz BBNVEGUESJMCEW-ZDUSSCGKSA-N 0 3 346.431 2.258 20 5 EEBDHN Cc1cc(OCC(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431571477 467525914 /nfs/dbraw/zinc/52/59/14/467525914.db2.gz PYHUPGCAOFMDAZ-CYBMUJFWSA-N 0 3 335.404 2.130 20 5 EEBDHN O=C(NCCN1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000448599874 467595447 /nfs/dbraw/zinc/59/54/47/467595447.db2.gz AGHXLLQORNJUDZ-UHFFFAOYSA-N 0 3 340.383 2.482 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496572197 467655061 /nfs/dbraw/zinc/65/50/61/467655061.db2.gz PMLNDYFYYRAOLH-NEPJUHHUSA-N 0 3 330.381 2.375 20 5 EEBDHN CC(COC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496649158 467685528 /nfs/dbraw/zinc/68/55/28/467685528.db2.gz JRMLFJDOOUFPDE-ABAIWWIYSA-N 0 3 330.381 2.232 20 5 EEBDHN Cc1nc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305807 467822849 /nfs/dbraw/zinc/82/28/49/467822849.db2.gz RLCSFSCRSVEGQW-CHWSQXEVSA-N 0 3 349.435 2.019 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000458592957 467863565 /nfs/dbraw/zinc/86/35/65/467863565.db2.gz UIGOEKOXZBAWCE-INIZCTEOSA-N 0 3 334.420 2.261 20 5 EEBDHN Cc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450730 468057216 /nfs/dbraw/zinc/05/72/16/468057216.db2.gz KVYDIGPNBWOLBQ-HUUCEWRRSA-N 0 3 345.403 2.072 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517600595 468090909 /nfs/dbraw/zinc/09/09/09/468090909.db2.gz HCQSPRFNZRQLCO-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000488692630 468097477 /nfs/dbraw/zinc/09/74/77/468097477.db2.gz TXZWTEILTKOWQZ-UHFFFAOYSA-N 0 3 345.355 2.397 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C3CCCC3)CC2)c1 ZINC000589494496 468156458 /nfs/dbraw/zinc/15/64/58/468156458.db2.gz SFZHQONUXDVHSJ-UHFFFAOYSA-N 0 3 347.415 2.442 20 5 EEBDHN CNc1nccc(C(=O)Nc2ccc(CN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000578378608 468202354 /nfs/dbraw/zinc/20/23/54/468202354.db2.gz JZQLPIKUGBAHTK-UHFFFAOYSA-N 0 3 343.387 2.654 20 5 EEBDHN COc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594195745 468508521 /nfs/dbraw/zinc/50/85/21/468508521.db2.gz IOVRLAUNMJFFON-UONOGXRCSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCCS2)cc1 ZINC000591759428 468516478 /nfs/dbraw/zinc/51/64/78/468516478.db2.gz NHNCHCKACXOUOY-CYBMUJFWSA-N 0 3 344.458 2.244 20 5 EEBDHN CNc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594420556 468580996 /nfs/dbraw/zinc/58/09/96/468580996.db2.gz WRMWTDJPGJLLRJ-GJZGRUSLSA-N 0 3 332.404 2.383 20 5 EEBDHN COCc1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558120402 468666492 /nfs/dbraw/zinc/66/64/92/468666492.db2.gz WJZVUYZQSMTVTG-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000595015588 468744164 /nfs/dbraw/zinc/74/41/64/468744164.db2.gz ZFIMSAIDWBCGFG-HZSPNIEDSA-N 0 3 337.420 2.363 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598261886 468809945 /nfs/dbraw/zinc/80/99/45/468809945.db2.gz HNOIXDHTDCCPMQ-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000593089989 468866560 /nfs/dbraw/zinc/86/65/60/468866560.db2.gz COQQWYKMOBHZFH-CYBMUJFWSA-N 0 3 338.408 2.378 20 5 EEBDHN C[C@H](CN1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587185697 469086678 /nfs/dbraw/zinc/08/66/78/469086678.db2.gz WOMAPLVQDAVECY-GFCCVEGCSA-N 0 3 347.419 2.072 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCNC2 ZINC000595928983 469087633 /nfs/dbraw/zinc/08/76/33/469087633.db2.gz UYQQGDWHLMYHHZ-UHFFFAOYSA-N 0 3 331.397 2.275 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CC[C@H](O)C2)c2ccccc2)c1 ZINC000599093389 469117321 /nfs/dbraw/zinc/11/73/21/469117321.db2.gz POYRLVXEZBOXGG-RBUKOAKNSA-N 0 3 341.411 2.340 20 5 EEBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC000596055213 469130352 /nfs/dbraw/zinc/13/03/52/469130352.db2.gz PRYYVWPLHYBAGJ-CYBMUJFWSA-N 0 3 334.401 2.470 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000611104247 469161587 /nfs/dbraw/zinc/16/15/87/469161587.db2.gz OJOYQHJOKRGJIY-OAHLLOKOSA-N 0 3 334.420 2.379 20 5 EEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603083348 469254956 /nfs/dbraw/zinc/25/49/56/469254956.db2.gz LCPCXLNGQKPKET-UHFFFAOYSA-N 0 3 340.383 2.271 20 5 EEBDHN CC(C)C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C ZINC000609624004 469950302 /nfs/dbraw/zinc/95/03/02/469950302.db2.gz QTTJMYHAZNDIQK-NSHDSACASA-N 0 3 337.376 2.030 20 5 EEBDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180635553 526628033 /nfs/dbraw/zinc/62/80/33/526628033.db2.gz ZAGWZPKPHVYAOT-GFCCVEGCSA-N 0 3 329.784 2.183 20 5 EEBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCO[C@H]21 ZINC000265971540 535072936 /nfs/dbraw/zinc/07/29/36/535072936.db2.gz KXMQZLHUOXRRSU-NUEKZKHPSA-N 0 3 334.372 2.364 20 5 EEBDHN CN(C)CCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000732005099 577141892 /nfs/dbraw/zinc/14/18/92/577141892.db2.gz BMPOJMAZAHUQRU-UHFFFAOYSA-N 0 3 333.344 2.405 20 5 EEBDHN COC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847362 577508202 /nfs/dbraw/zinc/50/82/02/577508202.db2.gz BDDWJBWZNULATH-WMZOPIPTSA-N 0 3 330.384 2.476 20 5 EEBDHN COc1c(O)ccc(CNCCN2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000892521724 681531589 /nfs/dbraw/zinc/53/15/89/681531589.db2.gz CKGDBZXNNANPHT-UHFFFAOYSA-N 0 3 343.383 2.414 20 5 EEBDHN C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1CN(C)CCN1C ZINC000895247918 684383976 /nfs/dbraw/zinc/38/39/76/684383976.db2.gz KERLVWXXPVJWGR-BLLLJJGKSA-N 0 3 329.404 2.189 20 5 EEBDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867402 1189943435 /nfs/dbraw/zinc/94/34/35/1189943435.db2.gz NJGRLFFPZDROAO-VYUIOLGVSA-N 0 3 327.768 2.200 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000876688344 1199722837 /nfs/dbraw/zinc/72/28/37/1199722837.db2.gz ROYFVCYKBFYDTA-QZTJIDSGSA-N 0 3 333.432 2.243 20 5 EEBDHN CC(COC(=O)C1=Cc2cc(Br)ccc2OC1)[N+](=O)[O-] ZINC000813101546 1201096834 /nfs/dbraw/zinc/09/68/34/1201096834.db2.gz DAMXDSUQNUDALG-QMMMGPOBSA-N 0 3 342.145 2.433 20 5 EEBDHN CC(COC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813105637 1201099147 /nfs/dbraw/zinc/09/91/47/1201099147.db2.gz QVTCXODVWGWDCU-QMMMGPOBSA-N 0 3 344.249 2.108 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095605572 1205888816 /nfs/dbraw/zinc/88/88/16/1205888816.db2.gz RWRVPOCCPACYKS-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114781092 1215295446 /nfs/dbraw/zinc/29/54/46/1215295446.db2.gz WUFKPCPFDSOXSY-HDJSIYSDSA-N 0 3 334.420 2.243 20 5 EEBDHN C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626973 1278154843 /nfs/dbraw/zinc/15/48/43/1278154843.db2.gz PQZRCKMKJIBZAQ-NCHVAJSOSA-N 0 3 329.356 2.322 20 5 EEBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1(N)CC1 ZINC001219005371 1297903534 /nfs/dbraw/zinc/90/35/34/1297903534.db2.gz MPEWRGHGTJXBFE-UHFFFAOYSA-N 0 3 336.395 2.386 20 5 EEBDHN CN1CC(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001220013317 1298219827 /nfs/dbraw/zinc/21/98/27/1298219827.db2.gz QTMKSYLYBBYMDM-FQEVSTJZSA-N 0 3 333.435 2.293 20 5 EEBDHN C[C@@H]1CCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768304 1303700092 /nfs/dbraw/zinc/70/00/92/1303700092.db2.gz ROWHRPPOULCOLH-PBHICJAKSA-N 0 3 343.431 2.492 20 5 EEBDHN C[C@@H]1CCCN1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769021 1303700340 /nfs/dbraw/zinc/70/03/40/1303700340.db2.gz VURLEUZPHJISFV-RHSMWYFYSA-N 0 3 343.431 2.492 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001120808471 1309764470 /nfs/dbraw/zinc/76/44/70/1309764470.db2.gz GOUJMYHULURIPQ-AWEZNQCLSA-N 0 3 330.388 2.219 20 5 EEBDHN Cc1nn(CN2CCC[C@@H]2[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617701 1315734144 /nfs/dbraw/zinc/73/41/44/1315734144.db2.gz RAFPTCJWNZXYQW-XJKSGUPXSA-N 0 3 345.403 2.496 20 5 EEBDHN Cc1nc(-n2nc(C(F)(F)F)c3c2CCNC3)ccc1[N+](=O)[O-] ZINC001154846172 1317348540 /nfs/dbraw/zinc/34/85/40/1317348540.db2.gz DXMHXHCDVFVLKJ-UHFFFAOYSA-N 0 3 327.266 2.148 20 5 EEBDHN CCCSCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155158341 1317479816 /nfs/dbraw/zinc/47/98/16/1317479816.db2.gz WPJNYJMAWYSXNW-UHFFFAOYSA-N 0 3 325.434 2.334 20 5 EEBDHN CN(Cc1ccccc1)C(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580736 1318131254 /nfs/dbraw/zinc/13/12/54/1318131254.db2.gz FBWCHOTVTYCMOH-QGZVFWFLSA-N 0 3 339.395 2.310 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](Oc3cnccn3)C1)C2 ZINC001254612464 1318146123 /nfs/dbraw/zinc/14/61/23/1318146123.db2.gz WPAXIFPNGVVCJX-CVEARBPZSA-N 0 3 326.356 2.005 20 5 EEBDHN COc1cc(N2CCC(NCc3cnoc3)CC2)ccc1[N+](=O)[O-] ZINC001256086884 1318645499 /nfs/dbraw/zinc/64/54/99/1318645499.db2.gz HEEUTUAMQLWKKD-UHFFFAOYSA-N 0 3 332.360 2.350 20 5 EEBDHN COc1cc(N2CCC(N3CCOC4(CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101317 1318647885 /nfs/dbraw/zinc/64/78/85/1318647885.db2.gz DWIXWHBGQHGGFQ-UHFFFAOYSA-N 0 3 347.415 2.437 20 5 EEBDHN COc1nc(NC[C@@H]2CCCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161885653 1320662346 /nfs/dbraw/zinc/66/23/46/1320662346.db2.gz WVVXRWPXYCWKAJ-AWEZNQCLSA-N 0 3 343.387 2.470 20 5 EEBDHN COC1CCC([N@H+](C)Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609313648 1351929882 /nfs/dbraw/zinc/92/98/82/1351929882.db2.gz OZCIXZPZAXJDRH-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN COC1CCC([N@@H+](C)Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609313648 1351929883 /nfs/dbraw/zinc/92/98/83/1351929883.db2.gz OZCIXZPZAXJDRH-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN COC1CCC([N@H+](C)Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609313648 1351929886 /nfs/dbraw/zinc/92/98/86/1351929886.db2.gz OZCIXZPZAXJDRH-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN COC1CCC([N@@H+](C)Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609313648 1351929888 /nfs/dbraw/zinc/92/98/88/1351929888.db2.gz OZCIXZPZAXJDRH-UHFFFAOYSA-N 0 3 346.391 2.164 20 5 EEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480933 1336382779 /nfs/dbraw/zinc/38/27/79/1336382779.db2.gz DBNCLHXAKWRWAQ-IUIKQTSFSA-N 0 3 334.372 2.356 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887387 1336748686 /nfs/dbraw/zinc/74/86/86/1336748686.db2.gz FJSPOEZKEFSXLO-BDJLRTHQSA-N 0 3 344.415 2.382 20 5 EEBDHN CNc1nccc(C(=O)OC[C@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000848790088 1338764781 /nfs/dbraw/zinc/76/47/81/1338764781.db2.gz JRVQGHKXTUJTLM-GFCCVEGCSA-N 0 3 336.392 2.451 20 5 EEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001580493591 1344525980 /nfs/dbraw/zinc/52/59/80/1344525980.db2.gz IOTASPGRVIQPJT-GPAKFWEMSA-N 0 3 339.355 2.461 20 5 EEBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590261874 1349237087 /nfs/dbraw/zinc/23/70/87/1349237087.db2.gz ZBFTYKOGMPJCHZ-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590261874 1349237093 /nfs/dbraw/zinc/23/70/93/1349237093.db2.gz ZBFTYKOGMPJCHZ-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590261874 1349237099 /nfs/dbraw/zinc/23/70/99/1349237099.db2.gz ZBFTYKOGMPJCHZ-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590261874 1349237106 /nfs/dbraw/zinc/23/71/06/1349237106.db2.gz ZBFTYKOGMPJCHZ-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN O=[N+]([O-])c1cc(NC2CC[NH+](C3CCC3)CC2)ccc1-c1nnn[n-]1 ZINC001593473410 1349807740 /nfs/dbraw/zinc/80/77/40/1349807740.db2.gz BDWNEAZYCDTNCP-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001603078048 1350634948 /nfs/dbraw/zinc/63/49/48/1350634948.db2.gz QZCIKRIOIJWQHB-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(C)(C)[NH+]1CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001603078048 1350634953 /nfs/dbraw/zinc/63/49/53/1350634953.db2.gz QZCIKRIOIJWQHB-UHFFFAOYSA-N 0 3 345.407 2.450 20 5 EEBDHN CC(=O)Nc1ccc(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167698111 761860945 /nfs/dbraw/zinc/86/09/45/761860945.db2.gz MLJLXUIYSNXKBC-UHFFFAOYSA-N 0 3 325.328 2.351 20 5 EEBDHN NCc1nn(-c2ncnc3sc([N+](=O)[O-])cc32)c2ccccc12 ZINC001167698165 761862139 /nfs/dbraw/zinc/86/21/39/761862139.db2.gz UPNSRIGLORUMBI-UHFFFAOYSA-N 0 3 326.341 2.397 20 5 EEBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])o1 ZINC000820070523 785769815 /nfs/dbraw/zinc/76/98/15/785769815.db2.gz DUMUELMXVDXJGF-VIKVFOODSA-N 0 3 327.340 2.048 20 5 EEBDHN O=C(CCCc1ccccn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148585656 792569894 /nfs/dbraw/zinc/56/98/94/792569894.db2.gz GVJZMAIYHDISLK-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3ccncn3)CC2)c(F)c1 ZINC001173012727 797196346 /nfs/dbraw/zinc/19/63/46/797196346.db2.gz XLBMNPWWAOJEGZ-UHFFFAOYSA-N 0 3 349.341 2.422 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000807925044 812388281 /nfs/dbraw/zinc/38/82/81/812388281.db2.gz FWBCJXLZSTVTOI-CQSZACIVSA-N 0 3 337.424 2.175 20 5 EEBDHN Cc1cc(N[C@H](C)[C@H]2CNCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572778 813015149 /nfs/dbraw/zinc/01/51/49/813015149.db2.gz SBWKAQJCJPSCPN-IUODEOHRSA-N 0 3 343.387 2.149 20 5 EEBDHN COC(=O)c1cnc(N2CCN(C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001515986934 1118992818 /nfs/dbraw/zinc/99/28/18/1118992818.db2.gz FFSRAIRCMXJGFB-LBPRGKRZSA-N 0 3 348.403 2.230 20 5 EEBDHN COc1ccc(OCCN[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183636493 235176020 /nfs/dbraw/zinc/17/60/20/235176020.db2.gz LRCSCGJIHLMMKI-HNNXBMFYSA-N 0 3 332.356 2.305 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750003 245235524 /nfs/dbraw/zinc/23/55/24/245235524.db2.gz HFRNLVNQIGWREX-GJZGRUSLSA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000078543765 217071433 /nfs/dbraw/zinc/07/14/33/217071433.db2.gz LFOMYAKZOLORDJ-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CC(C)N(CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000012141582 211303895 /nfs/dbraw/zinc/30/38/95/211303895.db2.gz DSYXDLRSBVSZNW-UHFFFAOYSA-N 0 3 343.449 2.133 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000095415878 218354028 /nfs/dbraw/zinc/35/40/28/218354028.db2.gz IGEUTQAHWDOUSD-CYBMUJFWSA-N 0 3 330.388 2.300 20 5 EEBDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094883 256112323 /nfs/dbraw/zinc/11/23/23/256112323.db2.gz CLTPCIAHFCIZID-WQGACYEGSA-N 0 3 332.404 2.438 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000270586931 256150397 /nfs/dbraw/zinc/15/03/97/256150397.db2.gz XLLPQCQEGKAQLP-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014977 256346288 /nfs/dbraw/zinc/34/62/88/256346288.db2.gz MBVKOZHEGLBEOZ-GRYCIOLGSA-N 0 3 337.376 2.099 20 5 EEBDHN CCN1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000122264574 292271728 /nfs/dbraw/zinc/27/17/28/292271728.db2.gz HXOWLNJIGYMACY-UHFFFAOYSA-N 0 3 332.404 2.147 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCN(C)C1CC1 ZINC000359485799 153392034 /nfs/dbraw/zinc/39/20/34/153392034.db2.gz GRACDHZNBHMGCW-UHFFFAOYSA-N 0 3 325.340 2.417 20 5 EEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374306335 154043324 /nfs/dbraw/zinc/04/33/24/154043324.db2.gz DFTRNPGUTZMACY-ZWKOTPCHSA-N 0 3 339.395 2.351 20 5 EEBDHN Cc1nccn1CCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000130926236 292380475 /nfs/dbraw/zinc/38/04/75/292380475.db2.gz IOWGWQHILOWVEA-UHFFFAOYSA-N 0 3 345.403 2.369 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000186511864 160073178 /nfs/dbraw/zinc/07/31/78/160073178.db2.gz LGPGQDMDFFMDQJ-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN CCN(CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356138780 163346905 /nfs/dbraw/zinc/34/69/05/163346905.db2.gz CSWMRCHVAZQPJC-UHFFFAOYSA-N 0 3 331.376 2.422 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](N2CCCC2)C1 ZINC000368034979 166040110 /nfs/dbraw/zinc/04/01/10/166040110.db2.gz KXDKXNHKAILCLP-ZDUSSCGKSA-N 0 3 347.371 2.024 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160222309 225366054 /nfs/dbraw/zinc/36/60/54/225366054.db2.gz WKHQQTBMUWJYAV-AWEZNQCLSA-N 0 3 334.420 2.168 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122046414 222002401 /nfs/dbraw/zinc/00/24/01/222002401.db2.gz MMMQUWAJGQJRRF-LBPRGKRZSA-N 0 3 339.367 2.103 20 5 EEBDHN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000272625728 269000571 /nfs/dbraw/zinc/00/05/71/269000571.db2.gz VLAITBHGTNHODS-GHMZBOCLSA-N 0 3 341.795 2.226 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272697293 269010422 /nfs/dbraw/zinc/01/04/22/269010422.db2.gz YBRDGMCFMBSBEL-SMDDNHRTSA-N 0 3 335.429 2.483 20 5 EEBDHN COc1cc(CNCCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000274899878 269071372 /nfs/dbraw/zinc/07/13/72/269071372.db2.gz GVQBANBQBZRSDL-UHFFFAOYSA-N 0 3 348.346 2.498 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277907858 269196704 /nfs/dbraw/zinc/19/67/04/269196704.db2.gz XDDSLQVHAQTKSE-YEWWUXTCSA-N 0 3 344.415 2.406 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278517745 274363810 /nfs/dbraw/zinc/36/38/10/274363810.db2.gz MOUKNGPLLGWXEO-XVJNWHFHSA-N 0 3 347.415 2.225 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262602 274464201 /nfs/dbraw/zinc/46/42/01/274464201.db2.gz MKBMXIYQONJGBT-IMJJTQAJSA-N 0 3 345.399 2.131 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285533925 274748449 /nfs/dbraw/zinc/74/84/49/274748449.db2.gz LDGTWWZMJLECMZ-KFWWJZLASA-N 0 3 346.431 2.480 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000288244051 275038393 /nfs/dbraw/zinc/03/83/93/275038393.db2.gz BCWORGSIUOJMBU-VIFPVBQESA-N 0 3 348.325 2.363 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084134387 275041987 /nfs/dbraw/zinc/04/19/87/275041987.db2.gz MXFKPVFKYJHCNJ-INIZCTEOSA-N 0 3 330.388 2.125 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966395 275166167 /nfs/dbraw/zinc/16/61/67/275166167.db2.gz ZGXYIIRRDLMVGH-JPQUEUOBSA-N 0 3 331.416 2.403 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000291395662 275301389 /nfs/dbraw/zinc/30/13/89/275301389.db2.gz BMXFNNGHIWOTQT-HNNXBMFYSA-N 0 3 343.387 2.375 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491532558 289137041 /nfs/dbraw/zinc/13/70/41/289137041.db2.gz LNDXDIKAWOFPJV-YDZSZYSISA-N 0 3 347.415 2.177 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281597345 292768822 /nfs/dbraw/zinc/76/88/22/292768822.db2.gz RQMVIDZNEVUSKX-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)cc1C(F)(F)F ZINC000295873350 293837937 /nfs/dbraw/zinc/83/79/37/293837937.db2.gz CTSWYFYRRVIDSS-UHFFFAOYSA-N 0 3 333.310 2.482 20 5 EEBDHN CN1CCC(C)(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296827745 294077208 /nfs/dbraw/zinc/07/72/08/294077208.db2.gz RLLMZDOUFZGLBZ-UHFFFAOYSA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000302147943 294933928 /nfs/dbraw/zinc/93/39/28/294933928.db2.gz IYDHUMVULJXTOB-KBPBESRZSA-N 0 3 349.435 2.101 20 5 EEBDHN CC(C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000332641642 312038954 /nfs/dbraw/zinc/03/89/54/312038954.db2.gz VZXRWCZRFLKYMM-QGZVFWFLSA-N 0 3 346.431 2.385 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000417997899 313682909 /nfs/dbraw/zinc/68/29/09/313682909.db2.gz UQLDXGZXIYWWHW-GHMZBOCLSA-N 0 3 340.811 2.183 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420435999 313957872 /nfs/dbraw/zinc/95/78/72/313957872.db2.gz AEAMXULVMYRAQB-LLVKDONJSA-N 0 3 347.824 2.059 20 5 EEBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000420997334 314019131 /nfs/dbraw/zinc/01/91/31/314019131.db2.gz GYMKXYXQQSCDOY-LBPRGKRZSA-N 0 3 340.811 2.213 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440403663 315129005 /nfs/dbraw/zinc/12/90/05/315129005.db2.gz DGXIXWJOCXXDEA-LBPRGKRZSA-N 0 3 349.412 2.401 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(C)C ZINC000444176387 315280196 /nfs/dbraw/zinc/28/01/96/315280196.db2.gz PARYXQDRAGIWAP-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524314255 317013851 /nfs/dbraw/zinc/01/38/51/317013851.db2.gz JCGCPPARNKDPNU-UONOGXRCSA-N 0 3 349.431 2.383 20 5 EEBDHN C[C@@H]1C[C@@H](C)CN(CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339861 319925972 /nfs/dbraw/zinc/92/59/72/319925972.db2.gz ZSYZNOATAQQFCD-CHWSQXEVSA-N 0 3 346.387 2.389 20 5 EEBDHN CN(C(=O)CN[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000576185254 320148411 /nfs/dbraw/zinc/14/84/11/320148411.db2.gz NEASTGCALDAQIT-MRXNPFEDSA-N 0 3 335.404 2.088 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581908629 324339157 /nfs/dbraw/zinc/33/91/57/324339157.db2.gz PCTLFQXRXDQYRK-UHFFFAOYSA-N 0 3 349.387 2.272 20 5 EEBDHN C[C@@H]1CN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843291 449874442 /nfs/dbraw/zinc/87/44/42/449874442.db2.gz ZDGVFVKEAUQHOE-CYBMUJFWSA-N 0 3 345.403 2.451 20 5 EEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(C)CC1 ZINC000520866967 468276795 /nfs/dbraw/zinc/27/67/95/468276795.db2.gz LKTOAHMDYQCBIX-LBPRGKRZSA-N 0 3 349.387 2.174 20 5 EEBDHN CCCNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046054192 462642658 /nfs/dbraw/zinc/64/26/58/462642658.db2.gz BJAWHVYXSIHZPG-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054932 462771011 /nfs/dbraw/zinc/77/10/11/462771011.db2.gz VZKFNCAKAKZKIZ-WBMJQRKESA-N 0 3 338.404 2.432 20 5 EEBDHN C[C@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008269394 462776278 /nfs/dbraw/zinc/77/62/78/462776278.db2.gz FWCKMAHZFQNHPP-STQMWFEESA-N 0 3 341.433 2.041 20 5 EEBDHN Cc1cccc(OCCN(C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090511921 462794976 /nfs/dbraw/zinc/79/49/76/462794976.db2.gz HYMOYMHZYXBUEP-UHFFFAOYSA-N 0 3 331.372 2.076 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133514263 462940627 /nfs/dbraw/zinc/94/06/27/462940627.db2.gz LHYDLEBOCGWBNR-WDEREUQCSA-N 0 3 334.376 2.204 20 5 EEBDHN CC(C)(C)CCN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000077525646 462999715 /nfs/dbraw/zinc/99/97/15/462999715.db2.gz AEHHZLFVIFIFQH-UHFFFAOYSA-N 0 3 334.420 2.252 20 5 EEBDHN COc1ccc(CNCCNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000120929361 463055508 /nfs/dbraw/zinc/05/55/08/463055508.db2.gz LMWHUPOWKNZSCK-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN COc1ccc(CC(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000067915410 463067409 /nfs/dbraw/zinc/06/74/09/463067409.db2.gz AWFQBIFDYCFPPG-UHFFFAOYSA-N 0 3 349.431 2.479 20 5 EEBDHN CCOC(=O)c1ccnc(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928873 463073478 /nfs/dbraw/zinc/07/34/78/463073478.db2.gz GICLSVMBSFJWSZ-LBPRGKRZSA-N 0 3 336.392 2.310 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCC1 ZINC000069369180 463236257 /nfs/dbraw/zinc/23/62/57/463236257.db2.gz RTJASCYHZCHGOM-OAHLLOKOSA-N 0 3 333.388 2.060 20 5 EEBDHN CN(CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000079795489 463250043 /nfs/dbraw/zinc/25/00/43/463250043.db2.gz DBINUWZVNWGECV-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CNc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055404155 463317049 /nfs/dbraw/zinc/31/70/49/463317049.db2.gz HCQSPRFNZRQLCO-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083782 463317678 /nfs/dbraw/zinc/31/76/78/463317678.db2.gz XBHDPGGKXIIDLE-NSHDSACASA-N 0 3 335.385 2.298 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000056460008 463401875 /nfs/dbraw/zinc/40/18/75/463401875.db2.gz OWSBHWOPNFDONK-UHFFFAOYSA-N 0 3 341.371 2.022 20 5 EEBDHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000071847792 463439798 /nfs/dbraw/zinc/43/97/98/463439798.db2.gz FRSZVGZWOCPIMP-HNNXBMFYSA-N 0 3 335.404 2.086 20 5 EEBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042073366 463539158 /nfs/dbraw/zinc/53/91/58/463539158.db2.gz XDARWHFHCSCICE-UHFFFAOYSA-N 0 3 338.433 2.014 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](N4CCCC4)C3)o2)cc1 ZINC000170712670 463698729 /nfs/dbraw/zinc/69/87/29/463698729.db2.gz NJXJAIOHONSGNJ-HNNXBMFYSA-N 0 3 343.387 2.315 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@@H](C)C1 ZINC000170774765 463704309 /nfs/dbraw/zinc/70/43/09/463704309.db2.gz WHDUKOQKRYRBBV-LBPRGKRZSA-N 0 3 337.376 2.043 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC[C@H](C)C1 ZINC000283432752 463883466 /nfs/dbraw/zinc/88/34/66/463883466.db2.gz JIQXJPGXBOIQMG-QWRGUYRKSA-N 0 3 338.383 2.166 20 5 EEBDHN CCN1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000194629724 463899509 /nfs/dbraw/zinc/89/95/09/463899509.db2.gz FBYMOLUUFYDPCB-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN CC1(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000269657044 464049755 /nfs/dbraw/zinc/04/97/55/464049755.db2.gz OZHHFUKAYYZVNB-INIZCTEOSA-N 0 3 336.388 2.103 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186772150 464063495 /nfs/dbraw/zinc/06/34/95/464063495.db2.gz MWAQGOYADLQLFT-UHFFFAOYSA-N 0 3 346.431 2.361 20 5 EEBDHN Cc1c([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987434 464218904 /nfs/dbraw/zinc/21/89/04/464218904.db2.gz AHCUQGVQPKVTEO-KGLIPLIRSA-N 0 3 336.388 2.476 20 5 EEBDHN COC(=O)C1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000188673624 464339707 /nfs/dbraw/zinc/33/97/07/464339707.db2.gz ACJIRSBLPBVEET-UHFFFAOYSA-N 0 3 344.371 2.038 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1C ZINC000237666866 464361007 /nfs/dbraw/zinc/36/10/07/464361007.db2.gz DUJQAINKVITPDJ-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN COc1cc(CNCCc2nccnc2C)c([N+](=O)[O-])cc1OC ZINC000292856811 464364397 /nfs/dbraw/zinc/36/43/97/464364397.db2.gz AIQJTQLRAQOVLX-UHFFFAOYSA-N 0 3 332.360 2.043 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N(C)C ZINC000271769940 464378835 /nfs/dbraw/zinc/37/88/35/464378835.db2.gz IKJGLMAFBCAMPX-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272498695 464633748 /nfs/dbraw/zinc/63/37/48/464633748.db2.gz NRLAFAVUILHAJP-YVEFUNNKSA-N 0 3 342.399 2.171 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176548463 464797949 /nfs/dbraw/zinc/79/79/49/464797949.db2.gz LIASSANRFBSNBB-YPMHNXCESA-N 0 3 343.387 2.170 20 5 EEBDHN Cc1cc(OCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000295458676 464844112 /nfs/dbraw/zinc/84/41/12/464844112.db2.gz XEUKSEGJHCYKFT-CYBMUJFWSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295477662 464852293 /nfs/dbraw/zinc/85/22/93/464852293.db2.gz YWNPNOIGZKFPAE-CQSZACIVSA-N 0 3 331.416 2.470 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240479 464988016 /nfs/dbraw/zinc/98/80/16/464988016.db2.gz USSXWZUKSJLVMX-ZUZCIYMTSA-N 0 3 337.807 2.390 20 5 EEBDHN CC[C@H](CO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000342639711 465335199 /nfs/dbraw/zinc/33/51/99/465335199.db2.gz OKHZRLIQFKNQGD-MRXNPFEDSA-N 0 3 345.399 2.030 20 5 EEBDHN Cc1c(NC(=O)CCN[C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000348312979 465544189 /nfs/dbraw/zinc/54/41/89/465544189.db2.gz FIZDZRXLCBXXOM-GFCCVEGCSA-N 0 3 331.376 2.316 20 5 EEBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(OCCN(C)C)c1 ZINC000348459081 465617378 /nfs/dbraw/zinc/61/73/78/465617378.db2.gz KWSGDFMJFCIYAB-UHFFFAOYSA-N 0 3 346.387 2.434 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166680 465953773 /nfs/dbraw/zinc/95/37/73/465953773.db2.gz SAOANSKCSPKOHI-GRDNDAEWSA-N 0 3 331.416 2.326 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357384485 465993871 /nfs/dbraw/zinc/99/38/71/465993871.db2.gz FGJVGVGVRBKZGJ-HIFRSBDPSA-N 0 3 334.420 2.386 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000346292710 466067146 /nfs/dbraw/zinc/06/71/46/466067146.db2.gz JNQAZDRFGPUWKY-SFHVURJKSA-N 0 3 331.416 2.427 20 5 EEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000331407192 466069942 /nfs/dbraw/zinc/06/99/42/466069942.db2.gz IQCTVBGBMAOJLP-GJZGRUSLSA-N 0 3 347.415 2.229 20 5 EEBDHN COC(=O)c1cnc(N[C@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302780957 466183623 /nfs/dbraw/zinc/18/36/23/466183623.db2.gz RSQHXRIVCWMWNW-AWEZNQCLSA-N 0 3 348.403 2.453 20 5 EEBDHN CSC1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000346939846 466267129 /nfs/dbraw/zinc/26/71/29/466267129.db2.gz YBEIOPFJCJBHJZ-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN C[C@@H]1CC[C@H](N(CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940732 466316494 /nfs/dbraw/zinc/31/64/94/466316494.db2.gz LWYOFLABSHINRH-DOMZBBRYSA-N 0 3 336.388 2.444 20 5 EEBDHN CNC(=O)CCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338711452 466327286 /nfs/dbraw/zinc/32/72/86/466327286.db2.gz YMAYFQUZAKMWQT-UHFFFAOYSA-N 0 3 347.371 2.479 20 5 EEBDHN CN1CCC[C@@H](N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472742 466363699 /nfs/dbraw/zinc/36/36/99/466363699.db2.gz UREYHTSPRSQEDE-WEBJUUICSA-N 0 3 344.459 2.320 20 5 EEBDHN CN1CC[C@@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000368302966 466595269 /nfs/dbraw/zinc/59/52/69/466595269.db2.gz ALODSAKWRWULAM-CYBMUJFWSA-N 0 3 341.209 2.284 20 5 EEBDHN COCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000411178843 466779058 /nfs/dbraw/zinc/77/90/58/466779058.db2.gz YZOQPKFHXZHZGA-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108085 467013411 /nfs/dbraw/zinc/01/34/11/467013411.db2.gz HFMFDQYLGHLMAI-XOKHGSTOSA-N 0 3 331.416 2.499 20 5 EEBDHN CN(Cc1ccc(F)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433231071 467310289 /nfs/dbraw/zinc/31/02/89/467310289.db2.gz HWLNARGCSWVEJO-LBPRGKRZSA-N 0 3 342.758 2.077 20 5 EEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2n[nH]c(C3CC3)n2)n1 ZINC000453271036 467475291 /nfs/dbraw/zinc/47/52/91/467475291.db2.gz FYCWNPCUPQHXKG-RYUDHWBXSA-N 0 3 331.380 2.060 20 5 EEBDHN CN1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000449517381 467654987 /nfs/dbraw/zinc/65/49/87/467654987.db2.gz JWJVMDLLGPOVPK-MFKMUULPSA-N 0 3 327.331 2.332 20 5 EEBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CN(C2CCCCC2)C1 ZINC000457679526 467677116 /nfs/dbraw/zinc/67/71/16/467677116.db2.gz UYSYUFDEBGXMAZ-UHFFFAOYSA-N 0 3 343.387 2.674 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450319763 467826374 /nfs/dbraw/zinc/82/63/74/467826374.db2.gz RYFRAXRKBZEXRF-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517795917 468097818 /nfs/dbraw/zinc/09/78/18/468097818.db2.gz TZSLMLVLHJPDMX-NSHDSACASA-N 0 3 325.796 2.249 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594420424 468579804 /nfs/dbraw/zinc/57/98/04/468579804.db2.gz TUYFNDSAPFPLDG-CABCVRRESA-N 0 3 332.404 2.140 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597603940 468613389 /nfs/dbraw/zinc/61/33/89/468613389.db2.gz GHBITEGTCGJVPZ-HNNXBMFYSA-N 0 3 344.415 2.492 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCC(OC)CC1 ZINC000595010706 468743134 /nfs/dbraw/zinc/74/31/34/468743134.db2.gz DJPLGTCHBLMWLU-CYBMUJFWSA-N 0 3 337.420 2.365 20 5 EEBDHN CNc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560759891 468845542 /nfs/dbraw/zinc/84/55/42/468845542.db2.gz ICSSSTSPLSJDIO-GXTWGEPZSA-N 0 3 332.404 2.335 20 5 EEBDHN COC(=O)c1ccnc(N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598587835 468923961 /nfs/dbraw/zinc/92/39/61/468923961.db2.gz DPBPQYXFSCKKLQ-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598675991 468955419 /nfs/dbraw/zinc/95/54/19/468955419.db2.gz CBIMVFPHHSHXFC-CZUORRHYSA-N 0 3 344.415 2.446 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784846 469009357 /nfs/dbraw/zinc/00/93/57/469009357.db2.gz BXXRTSBYHSTRGP-GDBMZVCRSA-N 0 3 335.404 2.038 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN([C@@H]4CCOC4)CC3)nc2c1 ZINC000602716794 469029860 /nfs/dbraw/zinc/02/98/60/469029860.db2.gz DLQLMODTLSAXGD-CQSZACIVSA-N 0 3 346.387 2.079 20 5 EEBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800521 469083552 /nfs/dbraw/zinc/08/35/52/469083552.db2.gz XMZVJKLLPFNSJH-ZDUSSCGKSA-N 0 3 338.408 2.011 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091488 469150487 /nfs/dbraw/zinc/15/04/87/469150487.db2.gz KXQIWBIWLQXNFY-OAHLLOKOSA-N 0 3 346.431 2.076 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285409 469220057 /nfs/dbraw/zinc/22/00/57/469220057.db2.gz VSHDELSHCMANOQ-CABCVRRESA-N 0 3 347.415 2.425 20 5 EEBDHN Cc1nn(C)c(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596441144 469266889 /nfs/dbraw/zinc/26/68/89/469266889.db2.gz OXALQPINQPBLPX-UHFFFAOYSA-N 0 3 344.419 2.356 20 5 EEBDHN COCCN1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602546745 469356393 /nfs/dbraw/zinc/35/63/93/469356393.db2.gz KRPHAHQQIRIPCX-ZDUSSCGKSA-N 0 3 347.337 2.424 20 5 EEBDHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000616178575 469391776 /nfs/dbraw/zinc/39/17/76/469391776.db2.gz XFVPCZZAHOKRBO-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000603848403 469436205 /nfs/dbraw/zinc/43/62/05/469436205.db2.gz SADVLJOQYZKQOD-MRXNPFEDSA-N 0 3 349.431 2.160 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)Cc1ccccc1 ZINC000609506196 469934785 /nfs/dbraw/zinc/93/47/85/469934785.db2.gz LRYIVMPJIKGOCL-ZDUSSCGKSA-N 0 3 330.388 2.184 20 5 EEBDHN Cc1c(C(=O)NC(C)(C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184175291 533774010 /nfs/dbraw/zinc/77/40/10/533774010.db2.gz FJPFJBIGICRWHT-UHFFFAOYSA-N 0 3 348.447 2.049 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000159311348 534472503 /nfs/dbraw/zinc/47/25/03/534472503.db2.gz OTDKOZIMHQEZHO-UHFFFAOYSA-N 0 3 332.404 2.063 20 5 EEBDHN CC(C)OC(=O)C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181826563 527805009 /nfs/dbraw/zinc/80/50/09/527805009.db2.gz BLMLWFSONABYHA-HNNXBMFYSA-N 0 3 346.387 2.464 20 5 EEBDHN CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144273 529201161 /nfs/dbraw/zinc/20/11/61/529201161.db2.gz HNTXAQWFVADXDW-JKSUJKDBSA-N 0 3 335.404 2.273 20 5 EEBDHN CO[C@@H](CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009579 577470961 /nfs/dbraw/zinc/47/09/61/577470961.db2.gz JAJWCPZJVHAGMB-CABZTGNLSA-N 0 3 349.309 2.479 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCCN(CCCO)C1 ZINC000894674053 683023575 /nfs/dbraw/zinc/02/35/75/683023575.db2.gz SHUPOOJPEZINSC-AWEZNQCLSA-N 0 3 327.812 2.185 20 5 EEBDHN C[C@@]1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892799038 683077588 /nfs/dbraw/zinc/07/75/88/683077588.db2.gz KWGYZQNKSTUARS-GOSISDBHSA-N 0 3 344.415 2.383 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC001134270054 1199437938 /nfs/dbraw/zinc/43/79/38/1199437938.db2.gz VKQWHRIBEZEJAW-UHFFFAOYSA-N 0 3 339.395 2.216 20 5 EEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000814649069 1199643165 /nfs/dbraw/zinc/64/31/65/1199643165.db2.gz IUSGUHYCRGLOSS-ROUUACIJSA-N 0 3 330.384 2.164 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000878188752 1200311332 /nfs/dbraw/zinc/31/13/32/1200311332.db2.gz NYQCORBYNVTOHB-UONOGXRCSA-N 0 3 334.376 2.281 20 5 EEBDHN CC(COC(=O)c1cccc(NC(=O)c2cccnc2)c1)[N+](=O)[O-] ZINC000813104554 1201097035 /nfs/dbraw/zinc/09/70/35/1201097035.db2.gz OKOBTRQQPSUNDL-NSHDSACASA-N 0 3 329.312 2.156 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1F ZINC000813110595 1201122127 /nfs/dbraw/zinc/12/21/27/1201122127.db2.gz FBSCQGVYMAWYKD-MRVPVSSYSA-N 0 3 325.271 2.281 20 5 EEBDHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111819 1201122754 /nfs/dbraw/zinc/12/27/54/1201122754.db2.gz AHYSZLGHDXHCKU-NWDGAFQWSA-N 0 3 340.401 2.264 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001095884676 1213700335 /nfs/dbraw/zinc/70/03/35/1213700335.db2.gz MVZDITXUBXNYMT-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@H](CNc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001114796351 1215331407 /nfs/dbraw/zinc/33/14/07/1215331407.db2.gz GHJVYWNFGBZFTL-HDJSIYSDSA-N 0 3 346.431 2.386 20 5 EEBDHN Cc1cnccc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020130823 1229500584 /nfs/dbraw/zinc/50/05/84/1229500584.db2.gz LGKMTAUAKDZKHI-SHTZXODSSA-N 0 3 340.383 2.349 20 5 EEBDHN CC(C)(C)N1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119619442 1229563572 /nfs/dbraw/zinc/56/35/72/1229563572.db2.gz LGIRGZVMYIAPBG-UHFFFAOYSA-N 0 3 347.462 2.198 20 5 EEBDHN CC1(Nc2ccc([N+](=O)[O-])cc2)CCN(C(=O)CN2CCCC2)CC1 ZINC001067263689 1229952233 /nfs/dbraw/zinc/95/22/33/1229952233.db2.gz NXSJZINLQBTUTC-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN O=C(/C=C\C1CC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048746669 1238503231 /nfs/dbraw/zinc/50/32/31/1238503231.db2.gz XEGZSWFWXLKALM-HGGBWVLCSA-N 0 3 341.411 2.451 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097230983 1243857511 /nfs/dbraw/zinc/85/75/11/1243857511.db2.gz IAQJFFKHFQGUTP-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN CN(CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001101972313 1300093461 /nfs/dbraw/zinc/09/34/61/1300093461.db2.gz VVYHSDBNXXEAOK-UHFFFAOYSA-N 0 3 336.436 2.443 20 5 EEBDHN COCCN1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227246817 1301746846 /nfs/dbraw/zinc/74/68/46/1301746846.db2.gz MAYOBUHNVMTDFR-UHFFFAOYSA-N 0 3 349.309 2.498 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)C[C@H]1N2C ZINC001229113813 1302624231 /nfs/dbraw/zinc/62/42/31/1302624231.db2.gz FMJUNRQZMZVJFG-SKFKFUCRSA-N 0 3 346.383 2.480 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC001123358750 1310537558 /nfs/dbraw/zinc/53/75/58/1310537558.db2.gz AXJJYEQYCVALPZ-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840877499 1315425963 /nfs/dbraw/zinc/42/59/63/1315425963.db2.gz XYAUHGHESLPRJF-JTQLQIEISA-N 0 3 329.422 2.041 20 5 EEBDHN CCOC(=O)c1cccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577212 1318127503 /nfs/dbraw/zinc/12/75/03/1318127503.db2.gz CZFKLHZNAGQNQQ-HNNXBMFYSA-N 0 3 341.367 2.424 20 5 EEBDHN O=C(NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254600976 1318140423 /nfs/dbraw/zinc/14/04/23/1318140423.db2.gz TVFLFQFGXYDMLT-GOSISDBHSA-N 0 3 343.427 2.443 20 5 EEBDHN Cc1cncnc1O[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606115 1318141824 /nfs/dbraw/zinc/14/18/24/1318141824.db2.gz DZJCDSOXCZJPFC-IAGOWNOFSA-N 0 3 340.383 2.314 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccnc4ccccc43)CC2)nc1 ZINC001307156811 1331511730 /nfs/dbraw/zinc/51/17/30/1331511730.db2.gz OOSWDGQPTKKFPZ-UHFFFAOYSA-N 0 3 336.355 2.260 20 5 EEBDHN CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609083954 1351835409 /nfs/dbraw/zinc/83/54/09/1351835409.db2.gz XJQOJEJJCJDXBW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609083954 1351835412 /nfs/dbraw/zinc/83/54/12/1351835412.db2.gz XJQOJEJJCJDXBW-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC001323204877 1333410929 /nfs/dbraw/zinc/41/09/29/1333410929.db2.gz GIMLHVWQGMPZSY-UHFFFAOYSA-N 0 3 348.403 2.472 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCCC1 ZINC001609113742 1351849722 /nfs/dbraw/zinc/84/97/22/1351849722.db2.gz FRGMDWPRKDZKAD-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCCC1 ZINC001609113742 1351849724 /nfs/dbraw/zinc/84/97/24/1351849724.db2.gz FRGMDWPRKDZKAD-GFCCVEGCSA-N 0 3 345.407 2.309 20 5 EEBDHN CCCN(CC[NH+](CC)CC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609213292 1351895078 /nfs/dbraw/zinc/89/50/78/1351895078.db2.gz VQSZRNUQKHNCSN-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCCN(CC[NH+](CC)CC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609213292 1351895079 /nfs/dbraw/zinc/89/50/79/1351895079.db2.gz VQSZRNUQKHNCSN-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001338717652 1336898806 /nfs/dbraw/zinc/89/88/06/1336898806.db2.gz CBWVEJRGGROTLL-KRWDZBQOSA-N 0 3 344.367 2.327 20 5 EEBDHN COc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001345073905 1337424037 /nfs/dbraw/zinc/42/40/37/1337424037.db2.gz DENBDPPZISFMCJ-NSHDSACASA-N 0 3 334.376 2.375 20 5 EEBDHN CC(COC(=O)c1ccccc1[S@@](=O)C(F)(F)F)[N+](=O)[O-] ZINC001348534321 1337558298 /nfs/dbraw/zinc/55/82/98/1337558298.db2.gz UNWTVAMRFFMCPC-MWAODPMSSA-N 0 3 325.264 2.136 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259678 1349235627 /nfs/dbraw/zinc/23/56/27/1349235627.db2.gz LWXMNDAFVBQVST-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCC[C@H](C)C1 ZINC001590259678 1349235635 /nfs/dbraw/zinc/23/56/35/1349235635.db2.gz LWXMNDAFVBQVST-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259678 1349235643 /nfs/dbraw/zinc/23/56/43/1349235643.db2.gz LWXMNDAFVBQVST-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCC[C@H](C)C1 ZINC001590259678 1349235647 /nfs/dbraw/zinc/23/56/47/1349235647.db2.gz LWXMNDAFVBQVST-NWDGAFQWSA-N 0 3 345.407 2.307 20 5 EEBDHN CCC(C)(C)[NH+]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590376968 1349292721 /nfs/dbraw/zinc/29/27/21/1349292721.db2.gz DJJISANSCJUYFZ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001593471994 1349807457 /nfs/dbraw/zinc/80/74/57/1349807457.db2.gz XIJGWTKVRBOFGU-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001593471994 1349807462 /nfs/dbraw/zinc/80/74/62/1349807462.db2.gz XIJGWTKVRBOFGU-CYBMUJFWSA-N 0 3 343.391 2.204 20 5 EEBDHN CCN(CCC[NH+](CC)CC)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604286224 1350909410 /nfs/dbraw/zinc/90/94/10/1350909410.db2.gz YNKZPFIIVLWMLV-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCCN(C)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110595689 1369124270 /nfs/dbraw/zinc/12/42/70/1369124270.db2.gz BHYCKRJMEOTIAA-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104396733 760147297 /nfs/dbraw/zinc/14/72/97/760147297.db2.gz AWIJGUYUSLKPJQ-UHFFFAOYSA-N 0 3 349.435 2.171 20 5 EEBDHN NCc1nn(-c2ccc3nsnc3c2[N+](=O)[O-])c2ccccc12 ZINC001167698196 761862112 /nfs/dbraw/zinc/86/21/12/761862112.db2.gz PRKASZOEYYRJEM-UHFFFAOYSA-N 0 3 326.341 2.397 20 5 EEBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954336 790774460 /nfs/dbraw/zinc/77/44/60/790774460.db2.gz FGIBZKXROSXYFM-ZEGGKSINSA-N 0 3 341.795 2.324 20 5 EEBDHN O=C(CC1CCCCC1)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818992947 785355824 /nfs/dbraw/zinc/35/58/24/785355824.db2.gz UWVHQJRHQMQMHO-QGZVFWFLSA-N 0 3 349.431 2.304 20 5 EEBDHN CCc1n[nH]c(=O)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1CC ZINC000819163389 785440720 /nfs/dbraw/zinc/44/07/20/785440720.db2.gz PHGSMZRBVJSHBC-INIZCTEOSA-N 0 3 346.387 2.038 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908574417 785540247 /nfs/dbraw/zinc/54/02/47/785540247.db2.gz XLXYLDAAFHYPJB-UHFFFAOYSA-N 0 3 349.435 2.361 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107204747 786395577 /nfs/dbraw/zinc/39/55/77/786395577.db2.gz RNWXKRHYTZKNDK-AATRIKPKSA-N 0 3 338.383 2.160 20 5 EEBDHN Cc1ccc2ccccc2c1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292382 789984542 /nfs/dbraw/zinc/98/45/42/789984542.db2.gz FGANGPGTOMSQMX-SJLPKXTDSA-N 0 3 339.395 2.114 20 5 EEBDHN CCCN(C)CC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095187941 797499044 /nfs/dbraw/zinc/49/90/44/797499044.db2.gz BXERATKCHTXZJQ-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001086028225 801970936 /nfs/dbraw/zinc/97/09/36/801970936.db2.gz FFTBBQWMMDPXGK-JNSHFYNHSA-N 0 3 329.356 2.486 20 5 EEBDHN CC(C)(C)OC(=O)NC[C@]1(F)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041009 803583884 /nfs/dbraw/zinc/58/38/84/803583884.db2.gz AJHXVUOQCKJHEE-DVOMOZLQSA-N 0 3 345.415 2.371 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000791063085 809057795 /nfs/dbraw/zinc/05/77/95/809057795.db2.gz WETUOSHQZCDSBG-AWEZNQCLSA-N 0 3 334.420 2.336 20 5 EEBDHN COc1ccc(C[C@@H](C)NCc2cn(CCF)cn2)c([N+](=O)[O-])c1 ZINC001170325920 809891652 /nfs/dbraw/zinc/89/16/52/809891652.db2.gz YFAFRRCWBUNHPN-GFCCVEGCSA-N 0 3 336.367 2.490 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170353427 809902010 /nfs/dbraw/zinc/90/20/10/809902010.db2.gz YAVBVBZZPCPUFT-GFCCVEGCSA-N 0 3 349.387 2.109 20 5 EEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000804561893 810931232 /nfs/dbraw/zinc/93/12/32/810931232.db2.gz SZEUQHPDXGHHRC-LBPRGKRZSA-N 0 3 336.348 2.168 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000179710195 233345926 /nfs/dbraw/zinc/34/59/26/233345926.db2.gz QJRCMPRDMRETLA-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN C[C@H](N[C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597820 243171605 /nfs/dbraw/zinc/17/16/05/243171605.db2.gz DLUPKRYTQYNYTO-KHIZAZIESA-N 0 3 347.415 2.309 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451634337 243184727 /nfs/dbraw/zinc/18/47/27/243184727.db2.gz UHXBRDKZMSOOMI-PSOPSSQASA-N 0 3 337.376 2.088 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000266540494 248351734 /nfs/dbraw/zinc/35/17/34/248351734.db2.gz GUFZDRORXJYZPX-CVEARBPZSA-N 0 3 334.351 2.128 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270990166 256195923 /nfs/dbraw/zinc/19/59/23/256195923.db2.gz DWLLMGSDCJUTSR-RYUDHWBXSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000068256497 159017549 /nfs/dbraw/zinc/01/75/49/159017549.db2.gz CESOKHLMSVOCQO-CQSZACIVSA-N 0 3 334.420 2.243 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074123980 159060438 /nfs/dbraw/zinc/06/04/38/159060438.db2.gz OYVXGJCGTNQYRO-INIZCTEOSA-N 0 3 334.420 2.387 20 5 EEBDHN CSC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187897990 160111928 /nfs/dbraw/zinc/11/19/28/160111928.db2.gz XAWSTPBWPISHHE-CYBMUJFWSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154090 161044166 /nfs/dbraw/zinc/04/41/66/161044166.db2.gz UMOPNJAZJHWQPB-YVEFUNNKSA-N 0 3 344.415 2.145 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344438407 161227480 /nfs/dbraw/zinc/22/74/80/161227480.db2.gz HSBAIANCBVTLGT-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](N2CCCC2)C[C@@H]1C ZINC000352803001 162292587 /nfs/dbraw/zinc/29/25/87/162292587.db2.gz NHWBBGHMCXSOGM-GOEBONIOSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736096 163285608 /nfs/dbraw/zinc/28/56/08/163285608.db2.gz WCTMRHSFUMYWTI-MFKMUULPSA-N 0 3 348.334 2.388 20 5 EEBDHN Cn1cc(C[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370008699 166375374 /nfs/dbraw/zinc/37/53/74/166375374.db2.gz LVRHSSVQMBCLSG-CQSZACIVSA-N 0 3 330.388 2.272 20 5 EEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712605 292598277 /nfs/dbraw/zinc/59/82/77/292598277.db2.gz BATQWWTZWPZCNH-YSVLISHTSA-N 0 3 338.404 2.374 20 5 EEBDHN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272740141 269015122 /nfs/dbraw/zinc/01/51/22/269015122.db2.gz CQBMACXWUMLQLY-ZDUSSCGKSA-N 0 3 332.404 2.387 20 5 EEBDHN CN(CCN(C)C1CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000274457395 269034333 /nfs/dbraw/zinc/03/43/33/269034333.db2.gz JWRIFJLFNHPLPE-UHFFFAOYSA-N 0 3 329.198 2.283 20 5 EEBDHN CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275101921 274222792 /nfs/dbraw/zinc/22/27/92/274222792.db2.gz KDCHDDFJYKLNAP-NEPJUHHUSA-N 0 3 341.458 2.308 20 5 EEBDHN CCC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275431571 274248369 /nfs/dbraw/zinc/24/83/69/274248369.db2.gz FJMYTZKDYQNKTC-UHFFFAOYSA-N 0 3 339.367 2.299 20 5 EEBDHN CCOc1cc(CN2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917584 274273045 /nfs/dbraw/zinc/27/30/45/274273045.db2.gz ONOHTYQSPBUTLG-MRXNPFEDSA-N 0 3 349.431 2.148 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278517743 274363792 /nfs/dbraw/zinc/36/37/92/274363792.db2.gz MOUKNGPLLGWXEO-HVHJFMEUSA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186784900 274485369 /nfs/dbraw/zinc/48/53/69/274485369.db2.gz FSKKVGIZMCRUQX-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN CCCN(CCN1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285791664 274793356 /nfs/dbraw/zinc/79/33/56/274793356.db2.gz FKBVVMGIHXIALL-UHFFFAOYSA-N 0 3 334.420 2.002 20 5 EEBDHN O=C1C[C@H](N2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924152 275020656 /nfs/dbraw/zinc/02/06/56/275020656.db2.gz BNRXEXPUSIVGPA-ZENOOKHLSA-N 0 3 343.383 2.349 20 5 EEBDHN COC(=O)c1cc(CNCCc2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291314396 275293230 /nfs/dbraw/zinc/29/32/30/275293230.db2.gz YDDVYOPIWJHZQW-UHFFFAOYSA-N 0 3 331.372 2.361 20 5 EEBDHN Cc1c(NC(=O)CCN2CC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291998825 275362352 /nfs/dbraw/zinc/36/23/52/275362352.db2.gz XFKJSOHCRNLHEH-CQSZACIVSA-N 0 3 343.387 2.375 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000170684382 280167877 /nfs/dbraw/zinc/16/78/77/280167877.db2.gz NNXLLJSMFJVJKB-CYBMUJFWSA-N 0 3 348.359 2.203 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN(C2CCC2)C1 ZINC000293658126 293263331 /nfs/dbraw/zinc/26/33/31/293263331.db2.gz JAYAIBMFQFABAC-LBPRGKRZSA-N 0 3 332.404 2.123 20 5 EEBDHN CCc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000294171171 293387127 /nfs/dbraw/zinc/38/71/27/293387127.db2.gz SOYNAJKBAJYFSW-UHFFFAOYSA-N 0 3 331.376 2.168 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000298026246 294399915 /nfs/dbraw/zinc/39/99/15/294399915.db2.gz RXIWOWMASTYSMU-GOSISDBHSA-N 0 3 346.431 2.265 20 5 EEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000298160605 294434567 /nfs/dbraw/zinc/43/45/67/294434567.db2.gz QBSOMSSRTHVVRF-UHFFFAOYSA-N 0 3 341.433 2.088 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000170713175 311394252 /nfs/dbraw/zinc/39/42/52/311394252.db2.gz AVIFHDIOJHFRQR-HNNXBMFYSA-N 0 3 332.404 2.012 20 5 EEBDHN CN(C)[C@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCSC1 ZINC000531359796 317789627 /nfs/dbraw/zinc/78/96/27/317789627.db2.gz HITDSNBNDLKPRC-HNNXBMFYSA-N 0 3 349.416 2.093 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(F)c(F)c2)c1 ZINC000560860161 318816263 /nfs/dbraw/zinc/81/62/63/318816263.db2.gz PNSIVLXUGQHUCV-CYBMUJFWSA-N 0 3 338.310 2.403 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CC(F)(F)F ZINC000358348707 465071214 /nfs/dbraw/zinc/07/12/14/465071214.db2.gz CXYKSKARBKJFKY-GXSJLCMTSA-N 0 3 349.309 2.215 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000358390930 465095746 /nfs/dbraw/zinc/09/57/46/465095746.db2.gz IJJVFNDONCBDSO-OAHLLOKOSA-N 0 3 335.379 2.363 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047119592 462745470 /nfs/dbraw/zinc/74/54/70/462745470.db2.gz MYIPVXCAAXROBV-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054939 462770843 /nfs/dbraw/zinc/77/08/43/462770843.db2.gz VZKFNCAKAKZKIZ-BLLLJJGKSA-N 0 3 338.404 2.432 20 5 EEBDHN COc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000552214901 468318836 /nfs/dbraw/zinc/31/88/36/468318836.db2.gz SVQVMAIVOHJNRO-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN COc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067273327 462986263 /nfs/dbraw/zinc/98/62/63/462986263.db2.gz DWKFQISEGMRUEB-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000134016332 462995550 /nfs/dbraw/zinc/99/55/50/462995550.db2.gz MPDCTGYFURIQBA-JSGCOSHPSA-N 0 3 343.387 2.101 20 5 EEBDHN CNC(=O)c1ccc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000051504698 463039188 /nfs/dbraw/zinc/03/91/88/463039188.db2.gz JETDOYBZFGBOBO-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CCN1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000022992074 463059701 /nfs/dbraw/zinc/05/97/01/463059701.db2.gz JUKCQGBADFLDNA-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000032730718 463390360 /nfs/dbraw/zinc/39/03/60/463390360.db2.gz ZTYLLFOTBHDYCF-KGLIPLIRSA-N 0 3 335.404 2.353 20 5 EEBDHN COCCCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000056307663 463391165 /nfs/dbraw/zinc/39/11/65/463391165.db2.gz UICGOKQOSPWVRB-UHFFFAOYSA-N 0 3 349.431 2.268 20 5 EEBDHN C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000071954271 463478755 /nfs/dbraw/zinc/47/87/55/463478755.db2.gz GOJIEPNTZQJVCW-NEPJUHHUSA-N 0 3 345.403 2.364 20 5 EEBDHN COCCN(C)CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000041967401 463527568 /nfs/dbraw/zinc/52/75/68/463527568.db2.gz WZWFINXAHSVRBF-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC)C1 ZINC000170821155 463713596 /nfs/dbraw/zinc/71/35/96/463713596.db2.gz TUSMRRHKJAFWEA-CYBMUJFWSA-N 0 3 337.376 2.043 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000177778667 463788950 /nfs/dbraw/zinc/78/89/50/463788950.db2.gz QKQNLEBWBQTPMT-KGLIPLIRSA-N 0 3 333.388 2.302 20 5 EEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185718986 463867163 /nfs/dbraw/zinc/86/71/63/463867163.db2.gz SZZOKIMYTLIUOM-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000287329584 463871242 /nfs/dbraw/zinc/87/12/42/463871242.db2.gz XTOBYAMQIJBWGV-AWEZNQCLSA-N 0 3 337.423 2.221 20 5 EEBDHN CCCC(=O)NC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643062 464044544 /nfs/dbraw/zinc/04/45/44/464044544.db2.gz JTPHYUHAOMIKIN-RHSMWYFYSA-N 0 3 349.431 2.257 20 5 EEBDHN Cn1nccc1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284573437 464246180 /nfs/dbraw/zinc/24/61/80/464246180.db2.gz ZBESUSNXEYSYNH-UHFFFAOYSA-N 0 3 330.388 2.414 20 5 EEBDHN COc1ccc(OCCN2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173441559 464260888 /nfs/dbraw/zinc/26/08/88/464260888.db2.gz SNUVOCDKEPFDQG-UHFFFAOYSA-N 0 3 337.420 2.256 20 5 EEBDHN COc1ccc(C)cc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000271641358 464349285 /nfs/dbraw/zinc/34/92/85/464349285.db2.gz HICVOLSGWFKLSI-CYBMUJFWSA-N 0 3 331.372 2.424 20 5 EEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237934458 464406411 /nfs/dbraw/zinc/40/64/11/464406411.db2.gz OXAPZGNLPZPYNG-JOYOIKCWSA-N 0 3 347.824 2.044 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272226277 464526538 /nfs/dbraw/zinc/52/65/38/464526538.db2.gz CWXXDBQLIIYURN-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN C[C@H]1CSCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000190470927 464652841 /nfs/dbraw/zinc/65/28/41/464652841.db2.gz GZQZOTBZNWWYSW-OCCSQVGLSA-N 0 3 326.418 2.019 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000176236639 464727700 /nfs/dbraw/zinc/72/77/00/464727700.db2.gz PNTKMUCVLINFNQ-KRWDZBQOSA-N 0 3 348.378 2.376 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176256962 464733162 /nfs/dbraw/zinc/73/31/62/464733162.db2.gz UFHKAKVJKMRLLE-UHFFFAOYSA-N 0 3 348.428 2.443 20 5 EEBDHN CSC[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248448311 464753672 /nfs/dbraw/zinc/75/36/72/464753672.db2.gz HQTNIOKAUASWRK-CHWSQXEVSA-N 0 3 326.418 2.162 20 5 EEBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCO[C@@H]21 ZINC000265971534 464754492 /nfs/dbraw/zinc/75/44/92/464754492.db2.gz KXMQZLHUOXRRSU-BMFZPTHFSA-N 0 3 334.372 2.364 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN(C2CC2)C1 ZINC000295781405 464962778 /nfs/dbraw/zinc/96/27/78/464962778.db2.gz XZNQPVVOTXRSTP-ZDUSSCGKSA-N 0 3 346.431 2.217 20 5 EEBDHN CC1(C)C[C@H](NCCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000295908604 465002569 /nfs/dbraw/zinc/00/25/69/465002569.db2.gz JADQNTNTWRPOPP-KRWDZBQOSA-N 0 3 333.432 2.364 20 5 EEBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361861 465519277 /nfs/dbraw/zinc/51/92/77/465519277.db2.gz SOWYZVLSPOZLNY-CQSZACIVSA-N 0 3 343.431 2.581 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000343550899 465526988 /nfs/dbraw/zinc/52/69/88/465526988.db2.gz LZHLDQKUOWCPQL-LBPRGKRZSA-N 0 3 330.331 2.312 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCCOC)CC1 ZINC000360952820 465658898 /nfs/dbraw/zinc/65/88/98/465658898.db2.gz FXMHWSPLDVRCDC-UHFFFAOYSA-N 0 3 325.413 2.032 20 5 EEBDHN Cc1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000361260655 465869727 /nfs/dbraw/zinc/86/97/27/465869727.db2.gz HSUULDMGTJICEK-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000301861557 466047973 /nfs/dbraw/zinc/04/79/73/466047973.db2.gz FBHKGVVKJBOIKA-JKSUJKDBSA-N 0 3 328.372 2.037 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](N2CCCC2)C1 ZINC000362963505 466148586 /nfs/dbraw/zinc/14/85/86/466148586.db2.gz AHUYHPBTWCKSST-CYBMUJFWSA-N 0 3 343.387 2.172 20 5 EEBDHN CCC[C@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346802110 466164691 /nfs/dbraw/zinc/16/46/91/466164691.db2.gz TVWTUUDCDYFHAL-HNNXBMFYSA-N 0 3 343.387 2.246 20 5 EEBDHN CN(c1ccc([N+](=O)[O-])c2cnccc21)C1CCN(CCO)CC1 ZINC000357612138 466176093 /nfs/dbraw/zinc/17/60/93/466176093.db2.gz HQPRKKHVFGOVRP-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783469 466239063 /nfs/dbraw/zinc/23/90/63/466239063.db2.gz LZVKBGJZGXILFP-SNVBAGLBSA-N 0 3 349.840 2.255 20 5 EEBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783469 466239068 /nfs/dbraw/zinc/23/90/68/466239068.db2.gz LZVKBGJZGXILFP-SNVBAGLBSA-N 0 3 349.840 2.255 20 5 EEBDHN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCc2ccccc2C1 ZINC000340691943 466266749 /nfs/dbraw/zinc/26/67/49/466266749.db2.gz NYFDOXKETHAJAS-HNNXBMFYSA-N 0 3 342.399 2.490 20 5 EEBDHN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000340691943 466266755 /nfs/dbraw/zinc/26/67/55/466266755.db2.gz NYFDOXKETHAJAS-HNNXBMFYSA-N 0 3 342.399 2.490 20 5 EEBDHN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000340691943 466266760 /nfs/dbraw/zinc/26/67/60/466266760.db2.gz NYFDOXKETHAJAS-HNNXBMFYSA-N 0 3 342.399 2.490 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312096 466554848 /nfs/dbraw/zinc/55/48/48/466554848.db2.gz PMUARBFIKFCLIT-ZFWWWQNUSA-N 0 3 342.399 2.499 20 5 EEBDHN CCN(CC)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000315182081 466558576 /nfs/dbraw/zinc/55/85/76/466558576.db2.gz YFYSVBIYLXOYFH-LLVKDONJSA-N 0 3 329.422 2.141 20 5 EEBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000411862995 466920618 /nfs/dbraw/zinc/92/06/18/466920618.db2.gz GMXCZYATMYRBSR-LSDHHAIUSA-N 0 3 333.388 2.280 20 5 EEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411964363 466949733 /nfs/dbraw/zinc/94/97/33/466949733.db2.gz INLFTDSPZSZJFF-SFHVURJKSA-N 0 3 325.368 2.224 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373975963 466988496 /nfs/dbraw/zinc/98/84/96/466988496.db2.gz JCOSHHGJCINBOG-IRXDYDNUSA-N 0 3 349.431 2.336 20 5 EEBDHN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173724 467183824 /nfs/dbraw/zinc/18/38/24/467183824.db2.gz SLVQLJFECOECFT-CYBMUJFWSA-N 0 3 330.388 2.036 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000451645457 467264214 /nfs/dbraw/zinc/26/42/14/467264214.db2.gz AVJLLODIVUVSFD-UKRRQHHQSA-N 0 3 338.429 2.162 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000378402355 467292451 /nfs/dbraw/zinc/29/24/51/467292451.db2.gz LNFIWPAQHHTWKT-UHFFFAOYSA-N 0 3 342.355 2.043 20 5 EEBDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000420924700 467515511 /nfs/dbraw/zinc/51/55/11/467515511.db2.gz KGVYXFVUOYOJDF-STQMWFEESA-N 0 3 338.408 2.234 20 5 EEBDHN Cn1nccc1[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585492 467666851 /nfs/dbraw/zinc/66/68/51/467666851.db2.gz FERCIIRHCYHWCB-WBMJQRKESA-N 0 3 334.351 2.477 20 5 EEBDHN Cn1cc(CNC[C@@H](O)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449739325 467703664 /nfs/dbraw/zinc/70/36/64/467703664.db2.gz KFFGDEJZWIDZMY-MRXNPFEDSA-N 0 3 330.388 2.246 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494204374 468036884 /nfs/dbraw/zinc/03/68/84/468036884.db2.gz JDKCRBGFWMHULT-BZNIZROVSA-N 0 3 337.376 2.089 20 5 EEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517080162 468070255 /nfs/dbraw/zinc/07/02/55/468070255.db2.gz LONPAKVMLGQDQQ-GFCCVEGCSA-N 0 3 331.376 2.027 20 5 EEBDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000517651988 468092313 /nfs/dbraw/zinc/09/23/13/468092313.db2.gz YJMMRVHPDNIIJZ-UHFFFAOYSA-N 0 3 347.400 2.055 20 5 EEBDHN COc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197150 468508735 /nfs/dbraw/zinc/50/87/35/468508735.db2.gz AMDJYUMUWTYNJQ-UONOGXRCSA-N 0 3 333.388 2.350 20 5 EEBDHN CNc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594420558 468580292 /nfs/dbraw/zinc/58/02/92/468580292.db2.gz WRMWTDJPGJLLRJ-LSDHHAIUSA-N 0 3 332.404 2.383 20 5 EEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCNC2(CCCCC2)C1 ZINC000594629024 468639691 /nfs/dbraw/zinc/63/96/91/468639691.db2.gz WRPONMUWKFAAHH-UHFFFAOYSA-N 0 3 347.371 2.072 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2COCCN2)s1 ZINC000600771854 468653450 /nfs/dbraw/zinc/65/34/50/468653450.db2.gz BPWOFWNXBBGCBE-LBPRGKRZSA-N 0 3 333.413 2.401 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(C4CCOCC4)CC3)c2c1 ZINC000601123366 468750734 /nfs/dbraw/zinc/75/07/34/468750734.db2.gz AVINYRYDACVTHD-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000601183644 468774453 /nfs/dbraw/zinc/77/44/53/468774453.db2.gz AGHFJYJTOWGIKP-ZJUUUORDSA-N 0 3 341.209 2.140 20 5 EEBDHN C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000584111144 468801818 /nfs/dbraw/zinc/80/18/18/468801818.db2.gz NUFKHOJBOBYTKS-GUYCJALGSA-N 0 3 343.383 2.426 20 5 EEBDHN O=C(C[C@@H]1CSCCN1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965754 468829031 /nfs/dbraw/zinc/82/90/31/468829031.db2.gz IFTLDQLOHOOCGB-CYBMUJFWSA-N 0 3 335.429 2.181 20 5 EEBDHN CNc1nccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000561308889 468885830 /nfs/dbraw/zinc/88/58/30/468885830.db2.gz JHWFDVVSKABRJP-UHFFFAOYSA-N 0 3 343.387 2.654 20 5 EEBDHN C[C@@H]1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684414 469009768 /nfs/dbraw/zinc/00/97/68/469009768.db2.gz XWAANZNGFFXINA-DOMZBBRYSA-N 0 3 342.403 2.451 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714609 469047576 /nfs/dbraw/zinc/04/75/76/469047576.db2.gz VMHKVZIXJSLRAW-QLJPJBMISA-N 0 3 328.372 2.289 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244104 469207823 /nfs/dbraw/zinc/20/78/23/469207823.db2.gz AXGLRTQEFNGFKB-CXAGYDPISA-N 0 3 346.431 2.070 20 5 EEBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187843 469210264 /nfs/dbraw/zinc/21/02/64/469210264.db2.gz ZGXYIIRRDLMVGH-AAQZWPSQSA-N 0 3 331.416 2.403 20 5 EEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(c2ccncc2)CC1 ZINC000612610711 469508191 /nfs/dbraw/zinc/50/81/91/469508191.db2.gz HTQYILWFBFJBEQ-UHFFFAOYSA-N 0 3 345.334 2.483 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCc2c1cnn2CCO ZINC000608836704 469882317 /nfs/dbraw/zinc/88/23/17/469882317.db2.gz GFSVZGFOVHIJIF-MQDFFIGUSA-N 0 3 342.399 2.464 20 5 EEBDHN CC(C)NCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000608895627 469884873 /nfs/dbraw/zinc/88/48/73/469884873.db2.gz FPUKANMXGUWJKV-UHFFFAOYSA-N 0 3 348.325 2.140 20 5 EEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000610297288 470000975 /nfs/dbraw/zinc/00/09/75/470000975.db2.gz YVRWWNJDAVABLW-HNNXBMFYSA-N 0 3 342.399 2.280 20 5 EEBDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191660630 528436828 /nfs/dbraw/zinc/43/68/28/528436828.db2.gz JBYWTKXFSMUPQJ-GOSISDBHSA-N 0 3 349.431 2.431 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765013425 577492808 /nfs/dbraw/zinc/49/28/08/577492808.db2.gz HFECBTCTJVPQEN-QGZVFWFLSA-N 0 3 331.420 2.482 20 5 EEBDHN COC[C@@H](Cc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847361 577508196 /nfs/dbraw/zinc/50/81/96/577508196.db2.gz BDDWJBWZNULATH-SJLPKXTDSA-N 0 3 330.384 2.476 20 5 EEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCN1C ZINC000742413110 577872632 /nfs/dbraw/zinc/87/26/32/577872632.db2.gz ZWCHZQZIYAXUEH-DGCLKSJQSA-N 0 3 332.404 2.382 20 5 EEBDHN COc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020808539 675505944 /nfs/dbraw/zinc/50/59/44/675505944.db2.gz AFSFHWTXCBRRKF-JOCQHMNTSA-N 0 3 345.355 2.247 20 5 EEBDHN O=C(Cc1cncs1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020265648 683573985 /nfs/dbraw/zinc/57/39/85/683573985.db2.gz VHTDSMCLEIWKTI-JOCQHMNTSA-N 0 3 346.412 2.031 20 5 EEBDHN CCN1CCN(c2cccc(Nc3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000893240457 684216409 /nfs/dbraw/zinc/21/64/09/684216409.db2.gz WYZWOAYZJWDBCO-UHFFFAOYSA-N 0 3 330.392 2.214 20 5 EEBDHN CC1=NO[C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000895311739 684477185 /nfs/dbraw/zinc/47/71/85/684477185.db2.gz QTQCOHSLEVTDNN-HNNXBMFYSA-N 0 3 329.360 2.250 20 5 EEBDHN O=C(CCCC1CCOCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128846008 1195800129 /nfs/dbraw/zinc/80/01/29/1195800129.db2.gz CIRWPPLXEFERAI-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=C(CCCC1CCOCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128846381 1195801378 /nfs/dbraw/zinc/80/13/78/1195801378.db2.gz TWGMLCCLFOZZPF-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN Cc1c[n+]([O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)cc1[N+](=O)[O-] ZINC001170679930 1200772431 /nfs/dbraw/zinc/77/24/31/1200772431.db2.gz MRKMQMCLCSCWNY-LBPRGKRZSA-N 0 3 339.355 2.409 20 5 EEBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC2=O)cc1C ZINC000813108218 1201120513 /nfs/dbraw/zinc/12/05/13/1201120513.db2.gz VZLGKOBCPFAWCI-KGLIPLIRSA-N 0 3 334.372 2.255 20 5 EEBDHN CN1CCN(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213683 1201467809 /nfs/dbraw/zinc/46/78/09/1201467809.db2.gz VPDHGNRGJXIDRE-UHFFFAOYSA-N 0 3 338.839 2.464 20 5 EEBDHN CN(C)C1(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001095434679 1205742859 /nfs/dbraw/zinc/74/28/59/1205742859.db2.gz VLKMCKNKFPREPS-UHFFFAOYSA-N 0 3 346.431 2.164 20 5 EEBDHN CCN(CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000856739769 1293613678 /nfs/dbraw/zinc/61/36/78/1293613678.db2.gz ZPBSTTBIFQWYSE-UHFFFAOYSA-N 0 3 343.449 2.220 20 5 EEBDHN COCCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001153014570 1316759318 /nfs/dbraw/zinc/75/93/18/1316759318.db2.gz DLKMMTXBFQEMPY-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001155823666 1317749151 /nfs/dbraw/zinc/74/91/51/1317749151.db2.gz CNBRUNDGBWRKEL-SMDDNHRTSA-N 0 3 326.784 2.356 20 5 EEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c(Cl)c1 ZINC001155824876 1317749767 /nfs/dbraw/zinc/74/97/67/1317749767.db2.gz WYLMBULHEGXPFA-GXTWGEPZSA-N 0 3 326.784 2.356 20 5 EEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254587327 1318134694 /nfs/dbraw/zinc/13/46/94/1318134694.db2.gz WGPNJTZNALBUBB-OAHLLOKOSA-N 0 3 329.331 2.429 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](CN2CCCC2)C1 ZINC001158309513 1319164409 /nfs/dbraw/zinc/16/44/09/1319164409.db2.gz MCOMKNOPXQFFNY-OAHLLOKOSA-N 0 3 342.399 2.444 20 5 EEBDHN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1ccc([C@@H](C)N)n1 ZINC001158347955 1319189898 /nfs/dbraw/zinc/18/98/98/1319189898.db2.gz ASKQSMOJXQYEID-SSDOTTSWSA-N 0 3 339.739 2.025 20 5 EEBDHN COc1nc(C)nc(-n2c3ccccc3nc2[C@H](C)N)c1[N+](=O)[O-] ZINC001162759030 1320951762 /nfs/dbraw/zinc/95/17/62/1320951762.db2.gz NUMKALRSXQEIBY-QMMMGPOBSA-N 0 3 328.332 2.060 20 5 EEBDHN CC(C)=CCCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872420 1331551978 /nfs/dbraw/zinc/55/19/78/1331551978.db2.gz QYZVIKKMDPAHAD-UHFFFAOYSA-N 0 3 341.433 2.161 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609075839 1351832401 /nfs/dbraw/zinc/83/24/01/1351832401.db2.gz LFXMRKHRBMWSHJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609075839 1351832403 /nfs/dbraw/zinc/83/24/03/1351832403.db2.gz LFXMRKHRBMWSHJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609075839 1351832405 /nfs/dbraw/zinc/83/24/05/1351832405.db2.gz LFXMRKHRBMWSHJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609075839 1351832407 /nfs/dbraw/zinc/83/24/07/1351832407.db2.gz LFXMRKHRBMWSHJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN Cc1cc(NCCC[N@@H+](C)C(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409593 1351965264 /nfs/dbraw/zinc/96/52/64/1351965264.db2.gz PKHXIZLXPHPTMZ-UHFFFAOYSA-N 0 3 333.396 2.226 20 5 EEBDHN Cc1cc(NCCC[N@H+](C)C(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409593 1351965266 /nfs/dbraw/zinc/96/52/66/1351965266.db2.gz PKHXIZLXPHPTMZ-UHFFFAOYSA-N 0 3 333.396 2.226 20 5 EEBDHN Cc1cc(NCCC[N@@H+](C)C(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409593 1351965267 /nfs/dbraw/zinc/96/52/67/1351965267.db2.gz PKHXIZLXPHPTMZ-UHFFFAOYSA-N 0 3 333.396 2.226 20 5 EEBDHN Cc1cc(NCCC[N@H+](C)C(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409593 1351965269 /nfs/dbraw/zinc/96/52/69/1351965269.db2.gz PKHXIZLXPHPTMZ-UHFFFAOYSA-N 0 3 333.396 2.226 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC001333502966 1336059908 /nfs/dbraw/zinc/05/99/08/1336059908.db2.gz SSWCAWCOMQMJTR-CHWSQXEVSA-N 0 3 342.396 2.243 20 5 EEBDHN CN(CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001100347188 1338290423 /nfs/dbraw/zinc/29/04/23/1338290423.db2.gz YYVZBXSARNICOC-UHFFFAOYSA-N 0 3 336.436 2.125 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@@H]2CN(C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266265 1338475773 /nfs/dbraw/zinc/47/57/73/1338475773.db2.gz JEEUNPSJGFFSHW-GUYCJALGSA-N 0 3 343.431 2.498 20 5 EEBDHN C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604679870 1350983534 /nfs/dbraw/zinc/98/35/34/1350983534.db2.gz OGOGRTPLJDVPFJ-KBPBESRZSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604679870 1350983539 /nfs/dbraw/zinc/98/35/39/1350983539.db2.gz OGOGRTPLJDVPFJ-KBPBESRZSA-N 0 3 331.380 2.060 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC001116039753 1371718518 /nfs/dbraw/zinc/71/85/18/1371718518.db2.gz UGDOWWVBPLSICX-GXTWGEPZSA-N 0 3 341.433 2.054 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881379 1403615379 /nfs/dbraw/zinc/61/53/79/1403615379.db2.gz UDSPJIYNQLPVEO-VWYCJHECSA-N 0 3 327.331 2.284 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001100576652 760307684 /nfs/dbraw/zinc/30/76/84/760307684.db2.gz MUDUIVDANFEPSF-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccnc(OC(F)F)c2)cc1 ZINC000819299078 785491512 /nfs/dbraw/zinc/49/15/12/785491512.db2.gz SFPULZZGFOCSBO-CYBMUJFWSA-N 0 3 339.298 2.414 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845668439 789914260 /nfs/dbraw/zinc/91/42/60/789914260.db2.gz LUJRPEXCBUAPCJ-NSHDSACASA-N 0 3 336.344 2.007 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](CO)[C@H]2C)c1F ZINC001173180087 797278539 /nfs/dbraw/zinc/27/85/39/797278539.db2.gz IIBAXCFQKJYNTG-TUAOUCFPSA-N 0 3 326.368 2.376 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CO)c2ccncc2)c1F ZINC001173182679 797280594 /nfs/dbraw/zinc/28/05/94/797280594.db2.gz JTMATQOVDHIJCR-SMDDNHRTSA-N 0 3 349.362 2.392 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCC(C)(C)O)CC1 ZINC001173231499 797312558 /nfs/dbraw/zinc/31/25/58/797312558.db2.gz LTQSIWFVMKBSFQ-HNNXBMFYSA-N 0 3 335.448 2.304 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c(OC(F)F)c1 ZINC000785802538 806605094 /nfs/dbraw/zinc/60/50/94/806605094.db2.gz VRROXYLROFBVSY-NWDGAFQWSA-N 0 3 343.330 2.471 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC)CN1CCOCC1 ZINC000922588894 801419261 /nfs/dbraw/zinc/41/92/61/801419261.db2.gz DHOABJWJZCUQHR-HNNXBMFYSA-N 0 3 337.420 2.194 20 5 EEBDHN NCc1ccc2c(n1)N(c1ncc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001169590886 803863154 /nfs/dbraw/zinc/86/31/54/803863154.db2.gz QZSASUPCAFYIRY-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN COc1nc(C)c(N2CCCc3ccc(CN)nc32)cc1[N+](=O)[O-] ZINC001169591931 803864439 /nfs/dbraw/zinc/86/44/39/803864439.db2.gz DFKGSVJUZVVSML-UHFFFAOYSA-N 0 3 329.360 2.245 20 5 EEBDHN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541490 282261632 /nfs/dbraw/zinc/26/16/32/282261632.db2.gz MQCOTQURUZEYJL-CABCVRRESA-N 0 3 332.408 2.415 20 5 EEBDHN CN(C)C1(CN(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000189729068 237192838 /nfs/dbraw/zinc/19/28/38/237192838.db2.gz MVWHSILHLIFLKB-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000110490837 220039258 /nfs/dbraw/zinc/03/92/58/220039258.db2.gz HAVUSPWFXBZIOP-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533252 246062418 /nfs/dbraw/zinc/06/24/18/246062418.db2.gz OMNCNUFLFXHCKG-PYUISTEWSA-N 0 3 347.415 2.177 20 5 EEBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419607 256133570 /nfs/dbraw/zinc/13/35/70/256133570.db2.gz GIWUSFGTNLLWMC-SJCJKPOMSA-N 0 3 349.387 2.245 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373432 256128305 /nfs/dbraw/zinc/12/83/05/256128305.db2.gz NHSUZTZFJGENMG-DIFFPNOSSA-N 0 3 342.399 2.218 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N(C)C ZINC000270736331 256166201 /nfs/dbraw/zinc/16/62/01/256166201.db2.gz KLAKHTMHMWFERE-OLZOCXBDSA-N 0 3 343.836 2.366 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1N(C)C ZINC000271122445 256210469 /nfs/dbraw/zinc/21/04/69/256210469.db2.gz LAIFHQNAIMXQSZ-KBPBESRZSA-N 0 3 348.428 2.194 20 5 EEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000273914899 256338098 /nfs/dbraw/zinc/33/80/98/256338098.db2.gz IZWDDNOLPSEWBS-UHFFFAOYSA-N 0 3 332.360 2.225 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000342272582 161052757 /nfs/dbraw/zinc/05/27/57/161052757.db2.gz TWMXWLMTZSZSMN-UHFFFAOYSA-N 0 3 335.404 2.308 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000352587178 162201072 /nfs/dbraw/zinc/20/10/72/162201072.db2.gz ZXNUYRXYOPYRCT-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000367814670 166006534 /nfs/dbraw/zinc/00/65/34/166006534.db2.gz CGEQUZPZKIFHEX-GUYCJALGSA-N 0 3 334.372 2.379 20 5 EEBDHN COc1c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000356248717 163379658 /nfs/dbraw/zinc/37/96/58/163379658.db2.gz DXFVLNHYUGLHQG-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(CCO)CC1 ZINC000360003080 164212896 /nfs/dbraw/zinc/21/28/96/164212896.db2.gz HIBYJAXKGLZEIA-UHFFFAOYSA-N 0 3 327.812 2.137 20 5 EEBDHN Cc1cc(OCC(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000360219451 164260667 /nfs/dbraw/zinc/26/06/67/164260667.db2.gz KJYXAYYRFTZJAY-UHFFFAOYSA-N 0 3 337.420 2.328 20 5 EEBDHN CC(=O)N[C@@H](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000360618259 164353120 /nfs/dbraw/zinc/35/31/20/164353120.db2.gz HQJHWEIQPJNING-ZDUSSCGKSA-N 0 3 335.404 2.210 20 5 EEBDHN CCOc1cc(N2CCN(CC3(O)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000360739558 164371967 /nfs/dbraw/zinc/37/19/67/164371967.db2.gz SJTHLCITROQULT-UHFFFAOYSA-N 0 3 349.431 2.421 20 5 EEBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000371253927 166565207 /nfs/dbraw/zinc/56/52/07/166565207.db2.gz POXBFJHMMSGQEA-VQFNDLOPSA-N 0 3 337.379 2.455 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000377512165 167480351 /nfs/dbraw/zinc/48/03/51/167480351.db2.gz QFEUDQSYUNXNEP-AWEZNQCLSA-N 0 3 332.404 2.094 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272670518 269006418 /nfs/dbraw/zinc/00/64/18/269006418.db2.gz SZJYTISOTHQRMD-WMLDXEAASA-N 0 3 346.431 2.340 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272674314 269006722 /nfs/dbraw/zinc/00/67/22/269006722.db2.gz UKDWBHQHQZZZDM-ABAIWWIYSA-N 0 3 337.807 2.343 20 5 EEBDHN Cc1cc(NC(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000274822530 269059178 /nfs/dbraw/zinc/05/91/78/269059178.db2.gz OZUDFZBONUQNJF-HNNXBMFYSA-N 0 3 338.433 2.462 20 5 EEBDHN CC[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(CC)CC ZINC000277871870 269193001 /nfs/dbraw/zinc/19/30/01/269193001.db2.gz DQNHFBOWHXVIJV-AWEZNQCLSA-N 0 3 333.392 2.208 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N2CCCC2)cc1 ZINC000285111440 274680007 /nfs/dbraw/zinc/68/00/07/274680007.db2.gz HXDCAWWBHSOWKT-HNNXBMFYSA-N 0 3 343.387 2.193 20 5 EEBDHN CC(C)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000285956846 274820819 /nfs/dbraw/zinc/82/08/19/274820819.db2.gz ADIPEZYYLFESST-UHFFFAOYSA-N 0 3 331.376 2.022 20 5 EEBDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285973409 274822992 /nfs/dbraw/zinc/82/29/92/274822992.db2.gz NQTOOAWYKCUNJL-UHFFFAOYSA-N 0 3 334.420 2.341 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582891 275072485 /nfs/dbraw/zinc/07/24/85/275072485.db2.gz XOWRMMNVTBARAK-WCQYABFASA-N 0 3 343.387 2.170 20 5 EEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000078496212 276348563 /nfs/dbraw/zinc/34/85/63/276348563.db2.gz SZPPBMJJCDPUME-UHFFFAOYSA-N 0 3 346.431 2.409 20 5 EEBDHN CN1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242686 277028295 /nfs/dbraw/zinc/02/82/95/277028295.db2.gz MTYSUGUSPUTTKY-LLVKDONJSA-N 0 3 339.827 2.224 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C ZINC000357857830 281389227 /nfs/dbraw/zinc/38/92/27/281389227.db2.gz GNEJKVOUQIHGHE-NHYWBVRUSA-N 0 3 331.376 2.048 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC(C)CC1 ZINC000283565761 292965236 /nfs/dbraw/zinc/96/52/36/292965236.db2.gz VGUVXPBMNPONEO-NSHDSACASA-N 0 3 338.383 2.166 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000163195395 311382587 /nfs/dbraw/zinc/38/25/87/311382587.db2.gz UVKBTZCSHXATLP-UHFFFAOYSA-N 0 3 349.435 2.052 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000164917788 311390054 /nfs/dbraw/zinc/39/00/54/311390054.db2.gz JDBRAFLSNRMSBT-PBHICJAKSA-N 0 3 349.431 2.437 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000368531933 312424584 /nfs/dbraw/zinc/42/45/84/312424584.db2.gz ANGNBERZNRYXRH-RDJZCZTQSA-N 0 3 342.399 2.178 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411985575 312596056 /nfs/dbraw/zinc/59/60/56/312596056.db2.gz DSVHTGKSUKUUSR-XJKSGUPXSA-N 0 3 338.404 2.259 20 5 EEBDHN O=C1CCCN1CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525283687 317053065 /nfs/dbraw/zinc/05/30/65/317053065.db2.gz RYBLPWUOCRCICB-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC1 ZINC000536568361 318001642 /nfs/dbraw/zinc/00/16/42/318001642.db2.gz LCRGTXXMIJHODI-GFCCVEGCSA-N 0 3 328.372 2.357 20 5 EEBDHN CC(C)n1cc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574347 318132821 /nfs/dbraw/zinc/13/28/21/318132821.db2.gz NGAQUCPNOOVJRB-CJNGLKHVSA-N 0 3 348.403 2.463 20 5 EEBDHN COC(C)(C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558437388 318709939 /nfs/dbraw/zinc/70/99/39/318709939.db2.gz VDSNDZDYISCZKZ-LBPRGKRZSA-N 0 3 344.433 2.162 20 5 EEBDHN COCc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569266825 319561301 /nfs/dbraw/zinc/56/13/01/319561301.db2.gz MGWORERTAKOKGZ-INIZCTEOSA-N 0 3 346.383 2.271 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155778 320146143 /nfs/dbraw/zinc/14/61/43/320146143.db2.gz GBFOULBJHWFNOT-DOMZBBRYSA-N 0 3 347.371 2.004 20 5 EEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182298050 323371545 /nfs/dbraw/zinc/37/15/45/323371545.db2.gz RPKBAWGBJPURPM-JSGCOSHPSA-N 0 3 337.376 2.089 20 5 EEBDHN CNc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000326351591 465037128 /nfs/dbraw/zinc/03/71/28/465037128.db2.gz VHSVQPAOCFRSQA-ZDUSSCGKSA-N 0 3 332.404 2.337 20 5 EEBDHN CO[C@@]1(C)C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036328 465058865 /nfs/dbraw/zinc/05/88/65/465058865.db2.gz FBIFNVCIUXELDF-PBHICJAKSA-N 0 3 335.404 2.351 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000046034121 462639155 /nfs/dbraw/zinc/63/91/55/462639155.db2.gz QOCXFKZVSGDKML-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN COC[C@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000117946141 462818933 /nfs/dbraw/zinc/81/89/33/462818933.db2.gz DNKAOYQMYUMPAE-MRXNPFEDSA-N 0 3 345.399 2.460 20 5 EEBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000091482623 462883748 /nfs/dbraw/zinc/88/37/48/462883748.db2.gz AQHVFPMSSMXTLC-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068421172 463133002 /nfs/dbraw/zinc/13/30/02/463133002.db2.gz WLIWOMISEBAADF-OAHLLOKOSA-N 0 3 330.388 2.150 20 5 EEBDHN Cc1nccn1CCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136303499 463234309 /nfs/dbraw/zinc/23/43/09/463234309.db2.gz GKPHEVCKVSYLHA-UHFFFAOYSA-N 0 3 346.387 2.488 20 5 EEBDHN Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000122406823 463261693 /nfs/dbraw/zinc/26/16/93/463261693.db2.gz MLJZQTPYFBAXGU-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000143450292 463367810 /nfs/dbraw/zinc/36/78/10/463367810.db2.gz SGZMYMBXBIQHIV-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000042593964 463579153 /nfs/dbraw/zinc/57/91/53/463579153.db2.gz QZWVLWDLZZLYNQ-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073664536 463640446 /nfs/dbraw/zinc/64/04/46/463640446.db2.gz JPVXLANFVPGQOR-CQSZACIVSA-N 0 3 334.420 2.311 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287217274 463837897 /nfs/dbraw/zinc/83/78/97/463837897.db2.gz QBKZUXMZLRUPOT-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269017 463853304 /nfs/dbraw/zinc/85/33/04/463853304.db2.gz SENGCRKAKJVJSM-IINYFYTJSA-N 0 3 336.367 2.015 20 5 EEBDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000292426203 464229526 /nfs/dbraw/zinc/22/95/26/464229526.db2.gz LQHIAZCKALSJOB-CQSZACIVSA-N 0 3 334.420 2.338 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272293759 464551487 /nfs/dbraw/zinc/55/14/87/464551487.db2.gz BVSZEYUSXRNRRS-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281704810 464553873 /nfs/dbraw/zinc/55/38/73/464553873.db2.gz ZZTRVCYJOQANIU-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN CCOC(=O)c1ccnc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265573807 464606432 /nfs/dbraw/zinc/60/64/32/464606432.db2.gz LZJDZDQHQZGXHR-ZDUSSCGKSA-N 0 3 348.403 2.231 20 5 EEBDHN COc1ccc([C@H](CCO)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395565 464645069 /nfs/dbraw/zinc/64/50/69/464645069.db2.gz HYQUVUOBRLDLEV-ROUUACIJSA-N 0 3 346.383 2.350 20 5 EEBDHN CS(=O)(=O)CC1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000295020581 464680906 /nfs/dbraw/zinc/68/09/06/464680906.db2.gz CFRIXBVDBHEPFE-UHFFFAOYSA-N 0 3 332.447 2.349 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2ccccc2)c1 ZINC000273870667 464726537 /nfs/dbraw/zinc/72/65/37/464726537.db2.gz QAQJLXZRBXXHCQ-SJORKVTESA-N 0 3 330.388 2.379 20 5 EEBDHN Cc1cc(NC(=O)CCN(C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282346134 464783781 /nfs/dbraw/zinc/78/37/81/464783781.db2.gz CGIUVPQKNDCISM-UHFFFAOYSA-N 0 3 332.360 2.394 20 5 EEBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295477660 464851684 /nfs/dbraw/zinc/85/16/84/464851684.db2.gz YWNPNOIGZKFPAE-AWEZNQCLSA-N 0 3 331.416 2.470 20 5 EEBDHN COC(=O)c1cnc(N2CCCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276596126 464992796 /nfs/dbraw/zinc/99/27/96/464992796.db2.gz CGXSQGJNIFQUPA-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CN(C)CCN(Cc1ccco1)c1nc2sccn2c1[N+](=O)[O-] ZINC000268297829 465010750 /nfs/dbraw/zinc/01/07/50/465010750.db2.gz GEDRFPMZCFATFK-UHFFFAOYSA-N 0 3 335.389 2.465 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000298188049 465327196 /nfs/dbraw/zinc/32/71/96/465327196.db2.gz JNDYDMDBKONQBD-UHFFFAOYSA-N 0 3 332.404 2.140 20 5 EEBDHN CC[C@H](C)N[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538400 465441771 /nfs/dbraw/zinc/44/17/71/465441771.db2.gz AXVPRXZYJKGSIY-GXSJLCMTSA-N 0 3 335.364 2.079 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352358085 465519017 /nfs/dbraw/zinc/51/90/17/465519017.db2.gz WFQDLDJFNUAFKM-AWEZNQCLSA-N 0 3 343.431 2.581 20 5 EEBDHN CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000362335284 465662856 /nfs/dbraw/zinc/66/28/56/465662856.db2.gz WVYMSWNRJDJJQL-UHFFFAOYSA-N 0 3 337.445 2.081 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC000301129530 465906542 /nfs/dbraw/zinc/90/65/42/465906542.db2.gz ZCIOAJDHEKJEHB-UHFFFAOYSA-N 0 3 332.404 2.019 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000346149444 465937183 /nfs/dbraw/zinc/93/71/83/465937183.db2.gz XTOBYAMQIJBWGV-CQSZACIVSA-N 0 3 337.423 2.221 20 5 EEBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301290806 465937471 /nfs/dbraw/zinc/93/74/71/465937471.db2.gz NPRICKDSESABLV-AWEZNQCLSA-N 0 3 338.839 2.464 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000361404821 465966363 /nfs/dbraw/zinc/96/63/63/465966363.db2.gz OBIRABJIYAFERI-SJORKVTESA-N 0 3 330.388 2.379 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CC[C@H](CO)O3)o2)c1 ZINC000353707322 466084754 /nfs/dbraw/zinc/08/47/54/466084754.db2.gz QGFVKFSMATWIIM-GDBMZVCRSA-N 0 3 332.356 2.484 20 5 EEBDHN CC[C@H](C)N[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543609 466117588 /nfs/dbraw/zinc/11/75/88/466117588.db2.gz HQGAKQIUJJKQQQ-JQWIXIFHSA-N 0 3 347.375 2.223 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000353760752 466126966 /nfs/dbraw/zinc/12/69/66/466126966.db2.gz AZMSRCGMPDOABK-LBPRGKRZSA-N 0 3 340.401 2.132 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155565 466191768 /nfs/dbraw/zinc/19/17/68/466191768.db2.gz GFSSXXGEAMNCGL-CHWSQXEVSA-N 0 3 334.372 2.320 20 5 EEBDHN Cc1cc(C)c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000349785898 466239897 /nfs/dbraw/zinc/23/98/97/466239897.db2.gz WASHIVOCGCHIKP-CYBMUJFWSA-N 0 3 343.449 2.219 20 5 EEBDHN C[C@H]1CC[C@@H](N(CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940760 466316141 /nfs/dbraw/zinc/31/61/41/466316141.db2.gz LWYOFLABSHINRH-SWLSCSKDSA-N 0 3 336.388 2.444 20 5 EEBDHN COc1cccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331975098 466330418 /nfs/dbraw/zinc/33/04/18/466330418.db2.gz SWYXFHLXMJSVBI-GFCCVEGCSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332019774 466349359 /nfs/dbraw/zinc/34/93/59/466349359.db2.gz FYLMSSCLXVOJCC-DGCLKSJQSA-N 0 3 330.388 2.218 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341047243 466540006 /nfs/dbraw/zinc/54/00/06/466540006.db2.gz LRFSJZOPDAXINY-UHFFFAOYSA-N 0 3 349.479 2.461 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccncc1OCCN(C)C ZINC000341059133 466548875 /nfs/dbraw/zinc/54/88/75/466548875.db2.gz WSJLWIKHPJQJLQ-UHFFFAOYSA-N 0 3 348.407 2.067 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000423224043 466699511 /nfs/dbraw/zinc/69/95/11/466699511.db2.gz BJWNOPAFRBRQJR-CQSZACIVSA-N 0 3 341.415 2.443 20 5 EEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411977060 466954157 /nfs/dbraw/zinc/95/41/57/466954157.db2.gz XRCXSIJFLCPOPU-SFHVURJKSA-N 0 3 325.368 2.224 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127157 467020386 /nfs/dbraw/zinc/02/03/86/467020386.db2.gz KWAUNEZJUDDUGU-VJUNAUMWSA-N 0 3 331.416 2.497 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN(C[C@H]4CCOC4)CC3)ccnc21 ZINC000432325520 467231517 /nfs/dbraw/zinc/23/15/17/467231517.db2.gz LEYHBDCMNSOCJH-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN(CCO)[C@H]2CCCSC2)cc1 ZINC000433212989 467309210 /nfs/dbraw/zinc/30/92/10/467309210.db2.gz NFWZVAYGMQUFTA-AWEZNQCLSA-N 0 3 326.418 2.164 20 5 EEBDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000452973181 467449747 /nfs/dbraw/zinc/44/97/47/467449747.db2.gz JWNBEGNHGXCAMG-ABAIWWIYSA-N 0 3 335.379 2.174 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CNCCO3)s2)cc1 ZINC000415093348 467488439 /nfs/dbraw/zinc/48/84/39/467488439.db2.gz HXSGKERSAOCASB-AWEZNQCLSA-N 0 3 333.413 2.401 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000447801534 467588740 /nfs/dbraw/zinc/58/87/40/467588740.db2.gz CTUTZSSYHAOPMJ-AWEZNQCLSA-N 0 3 329.404 3.070 20 5 EEBDHN CC(C)(O)CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450306925 467822547 /nfs/dbraw/zinc/82/25/47/467822547.db2.gz VHPOOIFEZBMLSR-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352097 467892807 /nfs/dbraw/zinc/89/28/07/467892807.db2.gz MIHMKKAZVVSWMZ-LZNQSLFOSA-N 0 3 347.415 2.225 20 5 EEBDHN CNC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594596945 468630970 /nfs/dbraw/zinc/63/09/70/468630970.db2.gz BJSOGHUFGDXHPP-ZFWWWQNUSA-N 0 3 332.404 2.383 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ccccc2)c1 ZINC000559238707 468731836 /nfs/dbraw/zinc/73/18/36/468731836.db2.gz JBCVPGRJDDNWOR-OAHLLOKOSA-N 0 3 332.356 2.003 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104718 468742984 /nfs/dbraw/zinc/74/29/84/468742984.db2.gz DRLYFICHWQHNBG-CQSZACIVSA-N 0 3 343.431 2.003 20 5 EEBDHN CCCN1CC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097583 468757899 /nfs/dbraw/zinc/75/78/99/468757899.db2.gz YALXYQOTNSFSEV-DOTOQJQBSA-N 0 3 343.431 2.492 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000602807289 469089019 /nfs/dbraw/zinc/08/90/19/469089019.db2.gz XHKNEUCHDSCHLV-UHFFFAOYSA-N 0 3 330.344 2.107 20 5 EEBDHN CN1CCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599020832 469090709 /nfs/dbraw/zinc/09/07/09/469090709.db2.gz PGSNAANBJODRDD-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596075617 469141265 /nfs/dbraw/zinc/14/12/65/469141265.db2.gz KQJFBXUJYPWHGR-AWEZNQCLSA-N 0 3 334.401 2.470 20 5 EEBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccncc3)CC2)s1 ZINC000596437875 469266398 /nfs/dbraw/zinc/26/63/98/469266398.db2.gz YUDDUPIKAMXLJH-UHFFFAOYSA-N 0 3 333.417 2.770 20 5 EEBDHN Cc1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596441895 469267267 /nfs/dbraw/zinc/26/72/67/469267267.db2.gz RRZJZJLKRDXVKB-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EEBDHN CC(C)CC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602432245 469314442 /nfs/dbraw/zinc/31/44/42/469314442.db2.gz XTQXUDIOQBSPTA-CQSZACIVSA-N 0 3 334.420 2.007 20 5 EEBDHN Cc1cc(NCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611925110 469345770 /nfs/dbraw/zinc/34/57/70/469345770.db2.gz JZIQAVHKAFRHMN-ZDUSSCGKSA-N 0 3 331.372 2.338 20 5 EEBDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120839 469399638 /nfs/dbraw/zinc/39/96/38/469399638.db2.gz YKTXECCJVPZGLO-ZIAGYGMSSA-N 0 3 331.372 2.389 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000618935275 469475878 /nfs/dbraw/zinc/47/58/78/469475878.db2.gz CMUDMSKZCDVEKJ-OCCSQVGLSA-N 0 3 343.387 2.101 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCN(CC3CCOCC3)CC2)c1 ZINC000172427701 534886717 /nfs/dbraw/zinc/88/67/17/534886717.db2.gz BDSCAQDZBBDODC-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424042 528596053 /nfs/dbraw/zinc/59/60/53/528596053.db2.gz MTOFKXCGFRGSSO-MLGOLLRUSA-N 0 3 326.393 2.432 20 5 EEBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596477 577463905 /nfs/dbraw/zinc/46/39/05/577463905.db2.gz FBVPIQYHKFWAGZ-CQSZACIVSA-N 0 3 337.420 2.159 20 5 EEBDHN Cc1cc(C(=O)NCCN2CCCC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000769703752 577582643 /nfs/dbraw/zinc/58/26/43/577582643.db2.gz CYRXADSUGFWLJA-UHFFFAOYSA-N 0 3 334.420 2.337 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)CCc2ccccc2)cc1 ZINC000758184495 577617875 /nfs/dbraw/zinc/61/78/75/577617875.db2.gz DLSPKWGKSVDQPY-QZTJIDSGSA-N 0 3 330.384 2.212 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000742237650 577869389 /nfs/dbraw/zinc/86/93/89/577869389.db2.gz NLIOBQNZLYCNDS-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736254018 578191037 /nfs/dbraw/zinc/19/10/37/578191037.db2.gz XLDJDXWBRZENPY-VXGBXAGGSA-N 0 3 345.407 2.450 20 5 EEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Br)c1OC ZINC000813114559 675792326 /nfs/dbraw/zinc/79/23/26/675792326.db2.gz SSEAQRHHGIJZQB-SSDOTTSWSA-N 0 3 348.149 2.288 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccnc(F)c1 ZINC001021887973 676537095 /nfs/dbraw/zinc/53/70/95/676537095.db2.gz QRUQJDNPWIDGDO-OKILXGFUSA-N 0 3 344.346 2.180 20 5 EEBDHN CN(C)CC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000923881772 681592364 /nfs/dbraw/zinc/59/23/64/681592364.db2.gz OEYAPVIATXESRE-UHFFFAOYSA-N 0 3 331.376 2.226 20 5 EEBDHN O=C(OCc1nc2cc(Br)ccc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673483 682489710 /nfs/dbraw/zinc/48/97/10/682489710.db2.gz PMWGMNLKZYTMQZ-GMSGAONNSA-N 0 3 340.133 2.034 20 5 EEBDHN O=C(OCc1nc2ccc(Br)cc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673483 682489714 /nfs/dbraw/zinc/48/97/14/682489714.db2.gz PMWGMNLKZYTMQZ-GMSGAONNSA-N 0 3 340.133 2.034 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001059688157 688141952 /nfs/dbraw/zinc/14/19/52/688141952.db2.gz MVLSLRYYMSHFKT-OKILXGFUSA-N 0 3 343.387 2.237 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001059688233 688142480 /nfs/dbraw/zinc/14/24/80/688142480.db2.gz QOWBBWNACHKVNR-PHIMTYICSA-N 0 3 347.350 2.067 20 5 EEBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000893484996 692311780 /nfs/dbraw/zinc/31/17/80/692311780.db2.gz RBTZSBRSOHIALB-OAHLLOKOSA-N 0 3 345.403 2.031 20 5 EEBDHN Cc1c(CN[C@@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095922 1198498696 /nfs/dbraw/zinc/49/86/96/1198498696.db2.gz RLZGGTWSJDQPPR-AEFFLSMTSA-N 0 3 330.384 2.477 20 5 EEBDHN CO[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000876529747 1199658730 /nfs/dbraw/zinc/65/87/30/1199658730.db2.gz GXJCDOFIMSIUPT-GOSISDBHSA-N 0 3 349.431 2.158 20 5 EEBDHN COC(=O)c1cc(Br)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103596 1201096861 /nfs/dbraw/zinc/09/68/61/1201096861.db2.gz QXTUKOSUEDSBHR-SSDOTTSWSA-N 0 3 346.133 2.058 20 5 EEBDHN CC(COC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813114645 1201124467 /nfs/dbraw/zinc/12/44/67/1201124467.db2.gz VDHKGOGNIPZBKC-QMMMGPOBSA-N 0 3 325.321 2.122 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](N4CC=CC4)C3)c2)c1 ZINC000777956453 1206608095 /nfs/dbraw/zinc/60/80/95/1206608095.db2.gz HBGDLRDXWMQINR-SFHVURJKSA-N 0 3 339.399 2.362 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000078231739 1210118000 /nfs/dbraw/zinc/11/80/00/1210118000.db2.gz OSZXOHYGNLKXEF-GFCCVEGCSA-N 0 3 336.348 2.026 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001019937405 1229411418 /nfs/dbraw/zinc/41/14/18/1229411418.db2.gz HKWAIWXYEXPUMX-SHTZXODSSA-N 0 3 326.356 2.040 20 5 EEBDHN Cc1noc(C)c1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019980834 1229426965 /nfs/dbraw/zinc/42/69/65/1229426965.db2.gz HEYRZKRFRMGFMM-HDJSIYSDSA-N 0 3 344.371 2.250 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097184936 1243797737 /nfs/dbraw/zinc/79/77/37/1243797737.db2.gz OWVQJMIKMKAJOJ-TXEJJXNPSA-N 0 3 338.383 2.135 20 5 EEBDHN Cc1cc(N[C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)ccc1[N+](=O)[O-] ZINC001097227799 1243851385 /nfs/dbraw/zinc/85/13/85/1243851385.db2.gz PEXLYKSCNLWYDK-GASCZTMLSA-N 0 3 346.431 2.447 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000110998314 1292245579 /nfs/dbraw/zinc/24/55/79/1292245579.db2.gz DIGQNJIEAZQOAR-CQSZACIVSA-N 0 3 334.420 2.265 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1 ZINC000856486367 1293544596 /nfs/dbraw/zinc/54/45/96/1293544596.db2.gz YNFUTZBZJLSFPE-INIZCTEOSA-N 0 3 346.431 2.265 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)C[C@H]1N2C ZINC001224333851 1300550007 /nfs/dbraw/zinc/55/00/07/1300550007.db2.gz NBIPJNAGWVGHOK-WNRNVDISSA-N 0 3 348.399 2.321 20 5 EEBDHN COC(=O)c1cc(OC)c(O[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001226431022 1301409426 /nfs/dbraw/zinc/40/94/26/1301409426.db2.gz LSSOUDIJCHQQFQ-LLVKDONJSA-N 0 3 338.360 2.252 20 5 EEBDHN CCN(CC)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103431194 1302951305 /nfs/dbraw/zinc/95/13/05/1302951305.db2.gz QPVHJRBAIQRSOJ-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799190971 1305180223 /nfs/dbraw/zinc/18/02/23/1305180223.db2.gz VXOZUBXADAJTFH-HUUCEWRRSA-N 0 3 343.383 2.219 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154848929 1317349507 /nfs/dbraw/zinc/34/95/07/1317349507.db2.gz CWQJRBQSBFWAKM-UHFFFAOYSA-N 0 3 341.293 2.457 20 5 EEBDHN CCC(=O)N(C)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606095 1318141669 /nfs/dbraw/zinc/14/16/69/1318141669.db2.gz DOSOHKIJXWSDHF-KRWDZBQOSA-N 0 3 331.416 2.395 20 5 EEBDHN NCc1ccc2c(n1)N(c1ncnc3cccc([N+](=O)[O-])c31)CCC2 ZINC001158656030 1319360330 /nfs/dbraw/zinc/36/03/30/1319360330.db2.gz SIGFWXQARSPCFT-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN COc1cc(Br)c(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001263475600 1322482491 /nfs/dbraw/zinc/48/24/91/1322482491.db2.gz OZPCAVAZCHGDQM-SSDOTTSWSA-N 0 3 348.149 2.288 20 5 EEBDHN CC(C)c1[nH]nc(-c2nc([C@@H]3CN4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320327153 1332862576 /nfs/dbraw/zinc/86/25/76/1332862576.db2.gz JWHAJDNWIAOYLQ-SNVBAGLBSA-N 0 3 332.364 2.301 20 5 EEBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001337276716 1336675146 /nfs/dbraw/zinc/67/51/46/1336675146.db2.gz ZPLXAXDLGKCEPN-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CC1CC[NH+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590270971 1349241525 /nfs/dbraw/zinc/24/15/25/1349241525.db2.gz DKBHBVFQNHYASB-UHFFFAOYSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590272106 1349243185 /nfs/dbraw/zinc/24/31/85/1349243185.db2.gz NKOMMRBQEJHFCS-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590272106 1349243192 /nfs/dbraw/zinc/24/31/92/1349243192.db2.gz NKOMMRBQEJHFCS-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CCn1nc(C)cc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167263355 757600153 /nfs/dbraw/zinc/60/01/53/757600153.db2.gz BVJSDGOPYIBSGM-UHFFFAOYSA-N 0 3 345.403 2.029 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC001135316618 783600784 /nfs/dbraw/zinc/60/07/84/783600784.db2.gz HTJXHYYYWBJTBS-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN COc1cc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000820669894 786011986 /nfs/dbraw/zinc/01/19/86/786011986.db2.gz CAAOWVMQTHDGRM-CQSZACIVSA-N 0 3 335.404 2.070 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1nccc(C)c1[N+](=O)[O-] ZINC001107391507 787104520 /nfs/dbraw/zinc/10/45/20/787104520.db2.gz JPPDQONNUCPYKF-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN Cc1cc(NCCCN(C)C(=O)CN(C)C2CCC2)ncc1[N+](=O)[O-] ZINC001109652823 805829921 /nfs/dbraw/zinc/82/99/21/805829921.db2.gz DGOVKHZVZWULRU-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1noc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878147 789972693 /nfs/dbraw/zinc/97/26/93/789972693.db2.gz REJXUVFRZNSPHK-BJOHPYRUSA-N 0 3 337.307 2.399 20 5 EEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000915624034 796342493 /nfs/dbraw/zinc/34/24/93/796342493.db2.gz YDEOPJGIQZSTKQ-LBPRGKRZSA-N 0 3 339.417 2.030 20 5 EEBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnco1 ZINC001001693084 797119460 /nfs/dbraw/zinc/11/94/60/797119460.db2.gz SRLROBUNSIFZIL-UHFFFAOYSA-N 0 3 344.371 2.225 20 5 EEBDHN O=c1[n-]n([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2c1C[NH2+]CC2 ZINC001172921852 797152108 /nfs/dbraw/zinc/15/21/08/797152108.db2.gz UUMVJPHRAGUVNQ-CYBMUJFWSA-N 0 3 328.372 2.263 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cccnn3)CC2)c(F)c1 ZINC001173012208 797196074 /nfs/dbraw/zinc/19/60/74/797196074.db2.gz QBWISFQCHOXRNC-UHFFFAOYSA-N 0 3 349.341 2.422 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001086013170 801940193 /nfs/dbraw/zinc/94/01/93/801940193.db2.gz IIURUZDGFIUIOI-XBXGTLAGSA-N 0 3 329.356 2.486 20 5 EEBDHN Cc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902329740 980835801 /nfs/dbraw/zinc/83/58/01/980835801.db2.gz LXHLKLOUWLPUCT-UHFFFAOYSA-N 0 3 335.404 2.322 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1Cl ZINC000178024723 232063032 /nfs/dbraw/zinc/06/30/32/232063032.db2.gz LQESSMSEESRDII-CQSZACIVSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000179718587 233365126 /nfs/dbraw/zinc/36/51/26/233365126.db2.gz QXLUGDXNRCLSHC-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000342236682 283237568 /nfs/dbraw/zinc/23/75/68/283237568.db2.gz AWMRORTZJATENI-UHFFFAOYSA-N 0 3 334.420 2.341 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000186796606 236024067 /nfs/dbraw/zinc/02/40/67/236024067.db2.gz QFCUQFIYMZKJAV-CYBMUJFWSA-N 0 3 334.420 2.256 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000416305127 239176687 /nfs/dbraw/zinc/17/66/87/239176687.db2.gz ANBHCKALSVBCRL-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN CCOC(=O)[C@](C)(O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543144 243151596 /nfs/dbraw/zinc/15/15/96/243151596.db2.gz AZOYLCBASFWIJC-WMLDXEAASA-N 0 3 336.388 2.088 20 5 EEBDHN COC(=O)CC1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000459384525 245100266 /nfs/dbraw/zinc/10/02/66/245100266.db2.gz DDZKJSXKLANFFE-UHFFFAOYSA-N 0 3 338.360 2.058 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@H](OC)C12CCC2 ZINC000459764435 245240614 /nfs/dbraw/zinc/24/06/14/245240614.db2.gz ONUPXJZADPDSEN-LSDHHAIUSA-N 0 3 349.387 2.089 20 5 EEBDHN CN(Cc1csc2ccccc12)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266395942 248281107 /nfs/dbraw/zinc/28/11/07/248281107.db2.gz DDNQFLSGZUMCLF-CQSZACIVSA-N 0 3 346.412 2.499 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000012141580 211302703 /nfs/dbraw/zinc/30/27/03/211302703.db2.gz HBPCTWUWSUSWEM-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132864 218195753 /nfs/dbraw/zinc/19/57/53/218195753.db2.gz XJBLNDGWTUDKJL-QGZVFWFLSA-N 0 3 332.448 2.115 20 5 EEBDHN COCCOC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116886282 221004098 /nfs/dbraw/zinc/00/40/98/221004098.db2.gz XWJXMHNHXSYYKA-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN COc1ccc(OCCN2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272910182 256248542 /nfs/dbraw/zinc/24/85/42/256248542.db2.gz HHIJYSYPRZQLLY-UHFFFAOYSA-N 0 3 338.404 2.467 20 5 EEBDHN CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000273602538 256310849 /nfs/dbraw/zinc/31/08/49/256310849.db2.gz JTCHHUNLAWGWIQ-HNNXBMFYSA-N 0 3 327.388 2.486 20 5 EEBDHN CCOc1cccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000273872895 256334492 /nfs/dbraw/zinc/33/44/92/256334492.db2.gz OYDOTWVCTRHZNE-OCCSQVGLSA-N 0 3 325.434 2.475 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000273408926 256293978 /nfs/dbraw/zinc/29/39/78/256293978.db2.gz SMDVICGPSDFIMJ-LLVKDONJSA-N 0 3 347.375 2.016 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2=O)c1 ZINC000181395710 533406855 /nfs/dbraw/zinc/40/68/55/533406855.db2.gz KGDBUWPTSORPNL-CYBMUJFWSA-N 0 3 343.387 2.269 20 5 EEBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000057151652 132198716 /nfs/dbraw/zinc/19/87/16/132198716.db2.gz WLMSMEXDIDOALK-UHFFFAOYSA-N 0 3 336.411 2.198 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000249279987 160377555 /nfs/dbraw/zinc/37/75/55/160377555.db2.gz NANNISJBUABXIG-RISCZKNCSA-N 0 3 334.376 2.161 20 5 EEBDHN CSc1cccc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000186344806 160068097 /nfs/dbraw/zinc/06/80/97/160068097.db2.gz AKFBMOCNRXKTTG-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000245397116 160231273 /nfs/dbraw/zinc/23/12/73/160231273.db2.gz NXWYDAYZAWNHKD-LSDHHAIUSA-N 0 3 346.431 2.400 20 5 EEBDHN CNc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342738413 161087053 /nfs/dbraw/zinc/08/70/53/161087053.db2.gz JGLPCWMFXSGDKQ-OLZOCXBDSA-N 0 3 332.404 2.335 20 5 EEBDHN CNc1c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342738412 161087140 /nfs/dbraw/zinc/08/71/40/161087140.db2.gz JGLPCWMFXSGDKQ-CHWSQXEVSA-N 0 3 332.404 2.335 20 5 EEBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000343759006 161165270 /nfs/dbraw/zinc/16/52/70/161165270.db2.gz PWLFEABJPSAJAE-FZMZJTMJSA-N 0 3 335.335 2.219 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346125775 161359251 /nfs/dbraw/zinc/35/92/51/161359251.db2.gz AMGLXLREIXQGNA-NWDGAFQWSA-N 0 3 337.424 2.263 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122658460 222132803 /nfs/dbraw/zinc/13/28/03/222132803.db2.gz NEHCPMNZLIBRDL-DTWKUNHWSA-N 0 3 342.193 2.180 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160222207 533687532 /nfs/dbraw/zinc/68/75/32/533687532.db2.gz WKHQQTBMUWJYAV-CQSZACIVSA-N 0 3 334.420 2.168 20 5 EEBDHN C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272780298 269019858 /nfs/dbraw/zinc/01/98/58/269019858.db2.gz RXCNSQHPVIOEIU-LLVKDONJSA-N 0 3 339.342 2.453 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184107 269335860 /nfs/dbraw/zinc/33/58/60/269335860.db2.gz AJSOKZCKOUBRIU-CFVMTHIKSA-N 0 3 338.404 2.289 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892894 274119069 /nfs/dbraw/zinc/11/90/69/274119069.db2.gz BXYADEIUFGTYDB-DANNLKNASA-N 0 3 345.399 2.469 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000277586783 274315016 /nfs/dbraw/zinc/31/50/16/274315016.db2.gz MTDHMVBGHGERJH-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743065 274398181 /nfs/dbraw/zinc/39/81/81/274398181.db2.gz VPDDRKRSCJCHJF-SJKOYZFVSA-N 0 3 332.356 2.484 20 5 EEBDHN CCOC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286223096 274849824 /nfs/dbraw/zinc/84/98/24/274849824.db2.gz QZHDHOSMNSVBQB-OAHLLOKOSA-N 0 3 344.433 2.019 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000266029559 275042005 /nfs/dbraw/zinc/04/20/05/275042005.db2.gz RMQMIOUKWPXTPY-KRWDZBQOSA-N 0 3 330.388 2.163 20 5 EEBDHN CCCC[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000290196288 275188421 /nfs/dbraw/zinc/18/84/21/275188421.db2.gz MKPPETXRSHEMTN-LLVKDONJSA-N 0 3 347.412 2.133 20 5 EEBDHN CCCC[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000290196288 275188423 /nfs/dbraw/zinc/18/84/23/275188423.db2.gz MKPPETXRSHEMTN-LLVKDONJSA-N 0 3 347.412 2.133 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000157252308 277182641 /nfs/dbraw/zinc/18/26/41/277182641.db2.gz RIIXWSNJKULJPJ-ABAIWWIYSA-N 0 3 348.359 2.059 20 5 EEBDHN CN1CC[C@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000488713370 277186579 /nfs/dbraw/zinc/18/65/79/277186579.db2.gz COWWWWXOJLQSAS-INIZCTEOSA-N 0 3 329.360 2.177 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN(C2CCC2)C1 ZINC000293684319 293270340 /nfs/dbraw/zinc/27/03/40/293270340.db2.gz LSOBVOXQJZTOEV-LBPRGKRZSA-N 0 3 332.404 2.123 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000294027769 293352744 /nfs/dbraw/zinc/35/27/44/293352744.db2.gz JUMMLBIKQQMWKD-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000299320430 294714148 /nfs/dbraw/zinc/71/41/48/294714148.db2.gz FCJHKVNUAZVGTE-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000301903428 294909502 /nfs/dbraw/zinc/90/95/02/294909502.db2.gz XHAXACVGDPUYPP-LLVKDONJSA-N 0 3 343.449 2.387 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000166405291 311391455 /nfs/dbraw/zinc/39/14/55/311391455.db2.gz BXUDBHMWABZVOP-UHFFFAOYSA-N 0 3 345.403 2.052 20 5 EEBDHN CCN1CCC(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000411477462 312541497 /nfs/dbraw/zinc/54/14/97/312541497.db2.gz RZOXKYLFSUMFDQ-AWEZNQCLSA-N 0 3 348.447 2.154 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000416500572 313239104 /nfs/dbraw/zinc/23/91/04/313239104.db2.gz HKMIRIXPDZGUSN-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000416500572 313239107 /nfs/dbraw/zinc/23/91/07/313239107.db2.gz HKMIRIXPDZGUSN-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC1(C)C[C@@H](NCCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433238189 314756538 /nfs/dbraw/zinc/75/65/38/314756538.db2.gz DVNMEGVTVWNJKL-OAHLLOKOSA-N 0 3 343.387 2.060 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccccc3F)CC2)c1 ZINC000525785001 317076378 /nfs/dbraw/zinc/07/63/78/317076378.db2.gz SXXCFYBMOFVZPI-OAHLLOKOSA-N 0 3 348.378 2.171 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000541107257 318093147 /nfs/dbraw/zinc/09/31/47/318093147.db2.gz URTPWADWSLYEQX-CYBMUJFWSA-N 0 3 334.376 2.305 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154750 319550915 /nfs/dbraw/zinc/55/09/15/319550915.db2.gz NWCCYCSUPSEDSI-RYUDHWBXSA-N 0 3 343.387 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccs2)cc1 ZINC000574313229 320014450 /nfs/dbraw/zinc/01/44/50/320014450.db2.gz RHAUHDPVLJLQMX-UHFFFAOYSA-N 0 3 340.426 2.262 20 5 EEBDHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000182319168 323372280 /nfs/dbraw/zinc/37/22/80/323372280.db2.gz QYPUFYFHURDNFF-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000491347820 448000659 /nfs/dbraw/zinc/00/06/59/448000659.db2.gz DOUHIXBFFOFKMT-FPLPWBNLSA-N 0 3 329.360 2.005 20 5 EEBDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296302761 465149926 /nfs/dbraw/zinc/14/99/26/465149926.db2.gz PJDSUKHBDMNMKQ-GJZGRUSLSA-N 0 3 335.404 2.375 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000358698699 465272056 /nfs/dbraw/zinc/27/20/56/465272056.db2.gz MBDLZUDOKBKFNR-ZYHUDNBSSA-N 0 3 341.795 2.226 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000590632611 468293003 /nfs/dbraw/zinc/29/30/03/468293003.db2.gz PUNXLLCKHPCCBY-OAHLLOKOSA-N 0 3 345.399 2.158 20 5 EEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087304186 462599380 /nfs/dbraw/zinc/59/93/80/462599380.db2.gz ICTXAUUISMXPAR-KRWDZBQOSA-N 0 3 349.431 2.097 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000075777474 462758007 /nfs/dbraw/zinc/75/80/07/462758007.db2.gz VTKPOTWVUVBUKR-LJQANCHMSA-N 0 3 341.411 2.104 20 5 EEBDHN CN(C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599282 462982818 /nfs/dbraw/zinc/98/28/18/462982818.db2.gz WXBWGJGIZPWAEB-INIZCTEOSA-N 0 3 343.383 2.393 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000077929932 463072856 /nfs/dbraw/zinc/07/28/56/463072856.db2.gz DHZPXANLAWBDGQ-CYBMUJFWSA-N 0 3 348.403 2.231 20 5 EEBDHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C)CC1 ZINC000121493707 463145564 /nfs/dbraw/zinc/14/55/64/463145564.db2.gz DJODVJXCXYZXBE-UHFFFAOYSA-N 0 3 330.388 2.171 20 5 EEBDHN CC(C)N1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000069083747 463205712 /nfs/dbraw/zinc/20/57/12/463205712.db2.gz BGZZEPWGCSTNEC-UHFFFAOYSA-N 0 3 335.404 2.377 20 5 EEBDHN CNc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054281613 463224114 /nfs/dbraw/zinc/22/41/14/463224114.db2.gz CGORLQWVXJHVCN-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069857408 463340335 /nfs/dbraw/zinc/34/03/35/463340335.db2.gz FBDCIVSMBVRCME-INIZCTEOSA-N 0 3 349.431 2.148 20 5 EEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141201951 463349822 /nfs/dbraw/zinc/34/98/22/463349822.db2.gz VUKIJGAUMSERSJ-UHFFFAOYSA-N 0 3 325.368 2.293 20 5 EEBDHN O=C(NCC1CCN(Cc2cccs2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000126450576 463636633 /nfs/dbraw/zinc/63/66/33/463636633.db2.gz DJHHOOICJLTEOF-UHFFFAOYSA-N 0 3 349.416 2.021 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177664295 463760183 /nfs/dbraw/zinc/76/01/83/463760183.db2.gz OGFNLXUMNWTRNB-AAEUAGOBSA-N 0 3 348.403 2.028 20 5 EEBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811609 463868278 /nfs/dbraw/zinc/86/82/78/463868278.db2.gz SQCGHQKSUNCPAM-AWEZNQCLSA-N 0 3 335.795 2.128 20 5 EEBDHN Cn1c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000568754816 468382848 /nfs/dbraw/zinc/38/28/48/468382848.db2.gz SXBKIUSGZSRFJJ-SFHVURJKSA-N 0 3 342.399 2.328 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000283464455 463893871 /nfs/dbraw/zinc/89/38/71/463893871.db2.gz LXPXQHTZEYOSPP-CYBMUJFWSA-N 0 3 335.404 2.455 20 5 EEBDHN CCCc1n[n-]c(C(=O)NCCCNc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000172361990 464064520 /nfs/dbraw/zinc/06/45/20/464064520.db2.gz LIISUILDOXZDFZ-UHFFFAOYSA-N 0 3 346.391 2.206 20 5 EEBDHN CS[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270495594 464257190 /nfs/dbraw/zinc/25/71/90/464257190.db2.gz OYHVGDGMSNXEAS-PQAPVRDISA-N 0 3 335.429 2.112 20 5 EEBDHN C[C@H](CN1CCOCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180696823 464372677 /nfs/dbraw/zinc/37/26/77/464372677.db2.gz ZWTSWQPCLJDIMI-OAHLLOKOSA-N 0 3 349.431 2.159 20 5 EEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000180825120 464403317 /nfs/dbraw/zinc/40/33/17/464403317.db2.gz YTGSAQGFOKYVOU-CYBMUJFWSA-N 0 3 332.404 2.171 20 5 EEBDHN CCOc1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000174918695 464469185 /nfs/dbraw/zinc/46/91/85/464469185.db2.gz NZCOQZMMSYUDQH-UHFFFAOYSA-N 0 3 335.404 2.295 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(c2ccccc2)CC1 ZINC000189311752 464473228 /nfs/dbraw/zinc/47/32/28/464473228.db2.gz CSVIFVNHOJITFK-UHFFFAOYSA-N 0 3 327.384 2.420 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000272228695 464527964 /nfs/dbraw/zinc/52/79/64/464527964.db2.gz VHLKGRVJUGMXCU-CQSZACIVSA-N 0 3 348.447 2.220 20 5 EEBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265425761 464553503 /nfs/dbraw/zinc/55/35/03/464553503.db2.gz SPGBLWYLCWCOHI-LLVKDONJSA-N 0 3 342.783 2.090 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CCN(C)CC1 ZINC000281976023 464655528 /nfs/dbraw/zinc/65/55/28/464655528.db2.gz OHSVMYALYSJUAG-UHFFFAOYSA-N 0 3 334.376 2.377 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295207044 464745981 /nfs/dbraw/zinc/74/59/81/464745981.db2.gz ZMGXVFROUYCNKR-ZDUSSCGKSA-N 0 3 327.812 2.185 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176459146 464778639 /nfs/dbraw/zinc/77/86/39/464778639.db2.gz ASOIQQWWLCJHGN-ZBFHGGJFSA-N 0 3 332.404 2.363 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248842189 464808419 /nfs/dbraw/zinc/80/84/19/464808419.db2.gz GIEWZFCDTRYDME-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CN1C1CC1 ZINC000177089732 464927938 /nfs/dbraw/zinc/92/79/38/464927938.db2.gz OQMTZIGNYGSUDI-RYUDHWBXSA-N 0 3 332.404 2.016 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238805 464987303 /nfs/dbraw/zinc/98/73/03/464987303.db2.gz OKPOBBSVYUZVHD-HZMBPMFUSA-N 0 3 328.372 2.289 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908675 464997740 /nfs/dbraw/zinc/99/77/40/464997740.db2.gz YKSPRMOYAHWJRT-GUYCJALGSA-N 0 3 346.431 2.261 20 5 EEBDHN CC[C@H](C)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295931840 465008487 /nfs/dbraw/zinc/00/84/87/465008487.db2.gz FZUCJGZBJDXDNB-AWEZNQCLSA-N 0 3 337.420 2.398 20 5 EEBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299131147 465617524 /nfs/dbraw/zinc/61/75/24/465617524.db2.gz VKYATLSGOZZFOV-UHFFFAOYSA-N 0 3 332.360 2.253 20 5 EEBDHN CNc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360938049 465646359 /nfs/dbraw/zinc/64/63/59/465646359.db2.gz QECFRFXSSXMVIG-GFCCVEGCSA-N 0 3 334.420 2.439 20 5 EEBDHN COc1cc(CN[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597126728 468451666 /nfs/dbraw/zinc/45/16/66/468451666.db2.gz HOHQRUFECHZKAZ-JTQLQIEISA-N 0 3 347.362 2.287 20 5 EEBDHN CNc1c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125159 465783681 /nfs/dbraw/zinc/78/36/81/465783681.db2.gz VRJSZRYDBODQPS-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000330767833 465796619 /nfs/dbraw/zinc/79/66/19/465796619.db2.gz XEGLQOHRWTUKFQ-UHFFFAOYSA-N 0 3 341.433 2.058 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000371599020 465896013 /nfs/dbraw/zinc/89/60/13/465896013.db2.gz ZHPNCPKKAYILMX-LBPRGKRZSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000357352149 465972660 /nfs/dbraw/zinc/97/26/60/465972660.db2.gz UHEHJRCQHYNKSX-SNVBAGLBSA-N 0 3 341.795 2.226 20 5 EEBDHN CCOc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301568800 465988156 /nfs/dbraw/zinc/98/81/56/465988156.db2.gz QOBINBCDYFXKRQ-AWEZNQCLSA-N 0 3 335.404 2.152 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331393140 466062560 /nfs/dbraw/zinc/06/25/60/466062560.db2.gz KOKAOOBEHQLFCC-LLVKDONJSA-N 0 3 335.408 2.188 20 5 EEBDHN COC(=O)c1cnc(N[C@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761153 466180302 /nfs/dbraw/zinc/18/03/02/466180302.db2.gz KFZHVJPRMCWGLE-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN COC(=O)C(C)(C)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338544449 466210678 /nfs/dbraw/zinc/21/06/78/466210678.db2.gz AQKLXDHKGJBGIO-LBPRGKRZSA-N 0 3 336.392 2.065 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000367461262 466352703 /nfs/dbraw/zinc/35/27/03/466352703.db2.gz UBXHQAKWPRUSCZ-RYECEPHISA-N 0 3 331.416 2.139 20 5 EEBDHN CC1CCC(O)(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000305227038 466384137 /nfs/dbraw/zinc/38/41/37/466384137.db2.gz KUQLNPXCUNNDAG-XOYHFGRZSA-N 0 3 334.420 2.417 20 5 EEBDHN COc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332098400 466386491 /nfs/dbraw/zinc/38/64/91/466386491.db2.gz XSUSTGKLRWHZQK-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1c(CC(=O)Nc2cnc3c(c2)CNCC3)cccc1[N+](=O)[O-] ZINC000591681375 468502407 /nfs/dbraw/zinc/50/24/07/468502407.db2.gz NCKBFSIZZDDEFT-UHFFFAOYSA-N 0 3 326.356 2.125 20 5 EEBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447318 466882024 /nfs/dbraw/zinc/88/20/24/466882024.db2.gz MJHWVSTUDLYZEO-CJNGLKHVSA-N 0 3 328.372 2.235 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412242367 467048474 /nfs/dbraw/zinc/04/84/74/467048474.db2.gz DCVORKRDGPLQKB-XBVQOTNRSA-N 0 3 329.400 2.251 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000432136681 467218730 /nfs/dbraw/zinc/21/87/30/467218730.db2.gz DNMMLUKCQYUGCP-OLZOCXBDSA-N 0 3 330.388 2.034 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414504184 467416797 /nfs/dbraw/zinc/41/67/97/467416797.db2.gz XOPTUORHCHXKQX-PWSUYJOCSA-N 0 3 340.401 2.130 20 5 EEBDHN CSCC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000449329393 467631300 /nfs/dbraw/zinc/63/13/00/467631300.db2.gz NXBGSENQYPHUJG-OCCSQVGLSA-N 0 3 339.461 2.325 20 5 EEBDHN COCCOC1(CNCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000449393836 467637315 /nfs/dbraw/zinc/63/73/15/467637315.db2.gz OOIYLRGQYWCSJL-UHFFFAOYSA-N 0 3 342.367 2.036 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000457081385 467748275 /nfs/dbraw/zinc/74/82/75/467748275.db2.gz CUTQWDIDNXTDMR-CQSZACIVSA-N 0 3 335.404 2.467 20 5 EEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCN1CCCO ZINC000450600933 467877559 /nfs/dbraw/zinc/87/75/59/467877559.db2.gz XHABSJRSMHBZEO-SNVBAGLBSA-N 0 3 348.325 2.267 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@]1(C)CCO[C@@H]1C ZINC000494230435 468038643 /nfs/dbraw/zinc/03/86/43/468038643.db2.gz KFSFMXGLIHTSGP-LYOVBCGYSA-N 0 3 337.376 2.088 20 5 EEBDHN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])CN(C)C ZINC000488980221 468114676 /nfs/dbraw/zinc/11/46/76/468114676.db2.gz JCVIGZBOCHYIAP-LBPRGKRZSA-N 0 3 345.403 2.169 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000589512778 468158184 /nfs/dbraw/zinc/15/81/84/468158184.db2.gz DUKLILLISXEWFB-MRXNPFEDSA-N 0 3 335.404 2.153 20 5 EEBDHN C[C@@H](CN1CCCCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594914212 468721841 /nfs/dbraw/zinc/72/18/41/468721841.db2.gz FSRGPFVGEXLNOJ-ZDUSSCGKSA-N 0 3 335.404 2.330 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000595015595 468744150 /nfs/dbraw/zinc/74/41/50/468744150.db2.gz ZFIMSAIDWBCGFG-MELADBBJSA-N 0 3 337.420 2.363 20 5 EEBDHN NC(=O)c1ccc(CN2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559640829 468749543 /nfs/dbraw/zinc/74/95/43/468749543.db2.gz SBDUJMGWPNLENU-AWEZNQCLSA-N 0 3 326.356 2.078 20 5 EEBDHN CNc1c(C(=O)N[C@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598265420 468811740 /nfs/dbraw/zinc/81/17/40/468811740.db2.gz SVOZYIZZVPKQJM-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN Cc1noc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000595405328 468840492 /nfs/dbraw/zinc/84/04/92/468840492.db2.gz WACWBJGUVJZLBC-NSHDSACASA-N 0 3 332.364 2.266 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000595536700 468891162 /nfs/dbraw/zinc/89/11/62/468891162.db2.gz SYDSLAYZOCWDRK-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598589788 468924804 /nfs/dbraw/zinc/92/48/04/468924804.db2.gz JNIWZUKAJSJIQH-RYUDHWBXSA-N 0 3 336.392 2.451 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000562402309 468951191 /nfs/dbraw/zinc/95/11/91/468951191.db2.gz VFEGUCFGVFMSQZ-KCPJHIHWSA-N 0 3 337.445 2.202 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000602644935 468984509 /nfs/dbraw/zinc/98/45/09/468984509.db2.gz PJMJNACIMZTQCG-RYUDHWBXSA-N 0 3 348.321 2.348 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714608 469047458 /nfs/dbraw/zinc/04/74/58/469047458.db2.gz VMHKVZIXJSLRAW-QFYYESIMSA-N 0 3 328.372 2.289 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)[C@H](C)CCO ZINC000602795605 469080805 /nfs/dbraw/zinc/08/08/05/469080805.db2.gz BPHKLUPUFICPAI-CQSZACIVSA-N 0 3 332.404 2.373 20 5 EEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc2c1CCNC2 ZINC000595923457 469085493 /nfs/dbraw/zinc/08/54/93/469085493.db2.gz VWHUDIZOUANTIZ-UHFFFAOYSA-N 0 3 340.383 2.082 20 5 EEBDHN Cc1ncc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969766 469118688 /nfs/dbraw/zinc/11/86/88/469118688.db2.gz SVSIZSNDSKQNSD-CMPLNLGQSA-N 0 3 337.401 2.450 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(C)(C)CO)CC1 ZINC000615835268 469324152 /nfs/dbraw/zinc/32/41/52/469324152.db2.gz GTZIYPJZBRYJKL-PTNGSMBKSA-N 0 3 333.432 2.387 20 5 EEBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000610336856 470005047 /nfs/dbraw/zinc/00/50/47/470005047.db2.gz PFFJTTFCNPBZDG-YRGRVCCFSA-N 0 3 326.418 2.160 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594202834 485603096 /nfs/dbraw/zinc/60/30/96/485603096.db2.gz SKKAWRUVFIOXOA-ZIAGYGMSSA-N 0 3 333.388 2.107 20 5 EEBDHN CN(CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000600820490 485627880 /nfs/dbraw/zinc/62/78/80/485627880.db2.gz GNNLWMNWPWSLPI-UHFFFAOYSA-N 0 3 347.415 2.449 20 5 EEBDHN COc1cc(CNC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1O ZINC000152997225 533881657 /nfs/dbraw/zinc/88/16/57/533881657.db2.gz BXXYQCVHEASHDT-OAHLLOKOSA-N 0 3 338.385 2.368 20 5 EEBDHN CN(Cc1ccc2ccccc2c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266479224 536473995 /nfs/dbraw/zinc/47/39/95/536473995.db2.gz SPIZCJYNIHPYFX-GOSISDBHSA-N 0 3 340.383 2.437 20 5 EEBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191359720 529115918 /nfs/dbraw/zinc/11/59/18/529115918.db2.gz DBJLIZIGXRYEID-LSDHHAIUSA-N 0 3 335.404 2.377 20 5 EEBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168228 577821110 /nfs/dbraw/zinc/82/11/10/577821110.db2.gz GCGCFHOHOOQKPY-OTYXRUKQSA-N 0 3 327.768 2.344 20 5 EEBDHN CC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CCOCC1 ZINC001020756147 675473329 /nfs/dbraw/zinc/47/33/29/675473329.db2.gz XEAPVMVXRIYIPQ-SHTZXODSSA-N 0 3 347.415 2.148 20 5 EEBDHN CCc1nc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)co1 ZINC001021995909 676574372 /nfs/dbraw/zinc/57/43/72/676574372.db2.gz QWUSYWQTXJJQRS-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN CCc1ncoc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022684018 678221865 /nfs/dbraw/zinc/22/18/65/678221865.db2.gz XFIFJYDZLCHGNA-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C1CCC1 ZINC001112195427 1186744715 /nfs/dbraw/zinc/74/47/15/1186744715.db2.gz AHSIYHJZTBKCAA-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865915823 1198422939 /nfs/dbraw/zinc/42/29/39/1198422939.db2.gz IHXOBXMKEUOPES-UHFFFAOYSA-N 0 3 340.374 2.216 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc([N+](=O)[O-])c1 ZINC000877345107 1199909300 /nfs/dbraw/zinc/90/93/00/1199909300.db2.gz VWIFSXVBDLJNOO-MRXNPFEDSA-N 0 3 325.368 2.348 20 5 EEBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[N+](=O)[O-] ZINC000813107827 1201117745 /nfs/dbraw/zinc/11/77/45/1201117745.db2.gz XKYMDXYFUZEXSY-JTQLQIEISA-N 0 3 333.319 2.322 20 5 EEBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[N+](=O)[O-] ZINC000813110003 1201120710 /nfs/dbraw/zinc/12/07/10/1201120710.db2.gz QXHMEKYPGNQOGS-LLVKDONJSA-N 0 3 341.385 2.225 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095605268 1205889181 /nfs/dbraw/zinc/88/91/81/1205889181.db2.gz BWMWQADEPAUMSO-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C1OCCO1 ZINC000933904607 1207866784 /nfs/dbraw/zinc/86/67/84/1207866784.db2.gz ZBTIATBOFSPKQY-HNNXBMFYSA-N 0 3 349.387 2.069 20 5 EEBDHN Cc1ccc(N(CCNC(=O)CN(C)C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001101352503 1245701904 /nfs/dbraw/zinc/70/19/04/1245701904.db2.gz DSCBKHFKJHKMOE-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN C[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627647 1278154611 /nfs/dbraw/zinc/15/46/11/1278154611.db2.gz FRWYDLZBVAWCOA-LLVKDONJSA-N 0 3 328.372 2.056 20 5 EEBDHN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)[n-]1 ZINC001218144385 1297582467 /nfs/dbraw/zinc/58/24/67/1297582467.db2.gz JEXBJHPNNHMZBV-LJWDBELGSA-N 0 3 330.344 2.011 20 5 EEBDHN C[C@]1(CO)CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219478 1304041398 /nfs/dbraw/zinc/04/13/98/1304041398.db2.gz URJRNUQAVSOUQY-YLJYHZDGSA-N 0 3 337.423 2.348 20 5 EEBDHN CN(CCCNC(=O)C1=COCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001235463805 1305241638 /nfs/dbraw/zinc/24/16/38/1305241638.db2.gz DUBTVWRFJXHQNL-UHFFFAOYSA-N 0 3 333.388 2.227 20 5 EEBDHN Cc1nn(CN2CC3(C[C@@H]2C)CCOCC3)c2ncc([N+](=O)[O-])cc12 ZINC000842639601 1315741650 /nfs/dbraw/zinc/74/16/50/1315741650.db2.gz REFKEERZETZDGI-LBPRGKRZSA-N 0 3 345.403 2.496 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001150492173 1316280570 /nfs/dbraw/zinc/28/05/70/1316280570.db2.gz PUFLBJADADNXEZ-UHFFFAOYSA-N 0 3 330.388 2.070 20 5 EEBDHN CCc1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001153203130 1316790536 /nfs/dbraw/zinc/79/05/36/1316790536.db2.gz CDCMFVKIPOAAAD-UHFFFAOYSA-N 0 3 334.401 2.133 20 5 EEBDHN C[C@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155248591 1317520804 /nfs/dbraw/zinc/52/08/04/1317520804.db2.gz VVSMOHKGZLTJCW-QMMMGPOBSA-N 0 3 328.288 2.257 20 5 EEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155248590 1317521388 /nfs/dbraw/zinc/52/13/88/1317521388.db2.gz VVSMOHKGZLTJCW-MRVPVSSYSA-N 0 3 328.288 2.257 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC001156922285 1318289722 /nfs/dbraw/zinc/28/97/22/1318289722.db2.gz FSGGRBSMYAUMPL-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN COc1cc2ncnc(N3CCN(C(C)C)[C@@H](C)C3)c2cc1[N+](=O)[O-] ZINC001158494647 1319270713 /nfs/dbraw/zinc/27/07/13/1319270713.db2.gz OEEMUNGRWFFWSD-LBPRGKRZSA-N 0 3 345.403 2.466 20 5 EEBDHN Cc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ncc1[N+](=O)[O-] ZINC001161137004 1320398730 /nfs/dbraw/zinc/39/87/30/1320398730.db2.gz DKVUHMRIVQDXNI-UHFFFAOYSA-N 0 3 343.387 2.475 20 5 EEBDHN COCc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001162135259 1320759267 /nfs/dbraw/zinc/75/92/67/1320759267.db2.gz ZUOZAKOVXCQENV-UHFFFAOYSA-N 0 3 347.371 2.244 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001326881334 1334176333 /nfs/dbraw/zinc/17/63/33/1334176333.db2.gz GGQZFJOGHGWFSW-KRWDZBQOSA-N 0 3 340.383 2.253 20 5 EEBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC001349797415 1337648077 /nfs/dbraw/zinc/64/80/77/1337648077.db2.gz XZSHZGVGEGGXON-UHFFFAOYSA-N 0 3 346.431 2.408 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589137373 1348964494 /nfs/dbraw/zinc/96/44/94/1348964494.db2.gz ZKDBIFLQCRNIOB-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589137373 1348964498 /nfs/dbraw/zinc/96/44/98/1348964498.db2.gz ZKDBIFLQCRNIOB-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589137373 1348964500 /nfs/dbraw/zinc/96/45/00/1348964500.db2.gz ZKDBIFLQCRNIOB-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589137373 1348964502 /nfs/dbraw/zinc/96/45/02/1348964502.db2.gz ZKDBIFLQCRNIOB-SNVBAGLBSA-N 0 3 331.380 2.060 20 5 EEBDHN C[N@@H+]1CCC[C@@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591184471 1349444551 /nfs/dbraw/zinc/44/45/51/1349444551.db2.gz OVAPOCNXLQTWQR-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCC[C@@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591184471 1349444557 /nfs/dbraw/zinc/44/45/57/1349444557.db2.gz OVAPOCNXLQTWQR-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@@H+]1CCC[C@@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591184471 1349444563 /nfs/dbraw/zinc/44/45/63/1349444563.db2.gz OVAPOCNXLQTWQR-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN C[N@H+]1CCC[C@@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591184471 1349444567 /nfs/dbraw/zinc/44/45/67/1349444567.db2.gz OVAPOCNXLQTWQR-JTQLQIEISA-N 0 3 349.370 2.058 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604102882 1350858626 /nfs/dbraw/zinc/85/86/26/1350858626.db2.gz JDADTKAMUREJJD-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604102882 1350858631 /nfs/dbraw/zinc/85/86/31/1350858631.db2.gz JDADTKAMUREJJD-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604102882 1350858633 /nfs/dbraw/zinc/85/86/33/1350858633.db2.gz JDADTKAMUREJJD-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604102882 1350858637 /nfs/dbraw/zinc/85/86/37/1350858637.db2.gz JDADTKAMUREJJD-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(CC3(Br)CC3)CC2)n1 ZINC000846880597 790693223 /nfs/dbraw/zinc/69/32/23/790693223.db2.gz IQNXGLJXWSJPES-UHFFFAOYSA-N 0 3 329.198 2.356 20 5 EEBDHN COc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1F ZINC001135643769 784148931 /nfs/dbraw/zinc/14/89/31/784148931.db2.gz WRJYYTRGRQIHDR-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083316 785394156 /nfs/dbraw/zinc/39/41/56/785394156.db2.gz ZFRIRDLUGQBBKS-WBVHZDCISA-N 0 3 328.372 2.394 20 5 EEBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000910287571 786620054 /nfs/dbraw/zinc/62/00/54/786620054.db2.gz LHVARBZRPZBQAV-LBPRGKRZSA-N 0 3 339.367 2.055 20 5 EEBDHN CN(C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671718 787864437 /nfs/dbraw/zinc/86/44/37/787864437.db2.gz UGYWQVFMJGOQRL-IRXDYDNUSA-N 0 3 343.383 2.047 20 5 EEBDHN CC([C@H](OC(=O)CCN1CCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845880175 789973343 /nfs/dbraw/zinc/97/33/43/789973343.db2.gz ZAAUEZCVLIDZSR-ZBEGNZNMSA-N 0 3 338.335 2.088 20 5 EEBDHN Cc1c(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845883290 789974204 /nfs/dbraw/zinc/97/42/04/789974204.db2.gz RLCZDISPYGHVAA-BZNIZROVSA-N 0 3 335.335 2.360 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncccc1Cl ZINC001148497787 792490038 /nfs/dbraw/zinc/49/00/38/792490038.db2.gz PDCSGQGDSBOBPQ-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001093889062 795767168 /nfs/dbraw/zinc/76/71/68/795767168.db2.gz PDFFMCVJHJDHMY-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CN(C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001094622933 796494190 /nfs/dbraw/zinc/49/41/90/796494190.db2.gz XZSANOODYNHCMZ-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN CCOC(=O)C1=C(O)CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227125 797310956 /nfs/dbraw/zinc/31/09/56/797310956.db2.gz OFRBZEVGOBRFQD-CZUORRHYSA-N 0 3 348.399 2.370 20 5 EEBDHN CC(C)CCCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001168715613 800008980 /nfs/dbraw/zinc/00/89/80/800008980.db2.gz PNPUUNCXWHIQBR-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN COC(=O)c1ccccc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039790 803582746 /nfs/dbraw/zinc/58/27/46/803582746.db2.gz TZGCDILIGKETFO-HUUCEWRRSA-N 0 3 347.415 2.041 20 5 EEBDHN COc1ccc(CN2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022458 803589403 /nfs/dbraw/zinc/58/94/03/803589403.db2.gz BSEJHXABJPSRLJ-SJORKVTESA-N 0 3 333.432 2.258 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791198164 809096083 /nfs/dbraw/zinc/09/60/83/809096083.db2.gz ZHFQULGIZSLGMU-NSHDSACASA-N 0 3 338.383 2.014 20 5 EEBDHN COCCn1cnc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170323384 809890151 /nfs/dbraw/zinc/89/01/51/809890151.db2.gz JHFZIXQEANHQIE-CYBMUJFWSA-N 0 3 348.403 2.167 20 5 EEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001131094352 812388409 /nfs/dbraw/zinc/38/84/09/812388409.db2.gz OOHYUPPGEXUIMS-UHFFFAOYSA-N 0 3 349.431 2.253 20 5 EEBDHN O=C(CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451547150 243154294 /nfs/dbraw/zinc/15/42/94/243154294.db2.gz KIQAYWRTNANUDV-INIZCTEOSA-N 0 3 347.415 2.023 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCCN3CCOCC3)C2)cc1 ZINC000451553154 243155851 /nfs/dbraw/zinc/15/58/51/243155851.db2.gz XQNZTLKKPAZRSE-KRWDZBQOSA-N 0 3 333.432 2.497 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451886782 243290384 /nfs/dbraw/zinc/29/03/84/243290384.db2.gz IYHWBXNWHQKHBQ-UHFFFAOYSA-N 0 3 349.478 2.363 20 5 EEBDHN COC(=O)[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264209629 246185922 /nfs/dbraw/zinc/18/59/22/246185922.db2.gz RZKPILHRAGPAOQ-ZDUSSCGKSA-N 0 3 345.355 2.287 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265206536 247297147 /nfs/dbraw/zinc/29/71/47/247297147.db2.gz AEHUKUMCCZSISX-AWEZNQCLSA-N 0 3 344.415 2.350 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000271725248 256237904 /nfs/dbraw/zinc/23/79/04/256237904.db2.gz RBKVJSUDQHZRTC-LSDHHAIUSA-N 0 3 326.418 2.083 20 5 EEBDHN Cc1ccnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273250746 256280729 /nfs/dbraw/zinc/28/07/29/256280729.db2.gz UXYUHBDYAQXEGE-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000273506719 256302400 /nfs/dbraw/zinc/30/24/00/256302400.db2.gz NATCHHOQLFWUOE-HZPDHXFCSA-N 0 3 349.456 2.176 20 5 EEBDHN Cc1c(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275994142 256393902 /nfs/dbraw/zinc/39/39/02/256393902.db2.gz NWZBBEXNRARYSF-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC000067269876 159009235 /nfs/dbraw/zinc/00/92/35/159009235.db2.gz NWJLPCHMDPVHGQ-NSHDSACASA-N 0 3 338.383 2.166 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000075777487 159076886 /nfs/dbraw/zinc/07/68/86/159076886.db2.gz MVXHKCALXJYLKC-IBGZPJMESA-N 0 3 341.411 2.104 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000343057135 161098936 /nfs/dbraw/zinc/09/89/36/161098936.db2.gz QORMLTQXDMTNRL-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN Cn1ccnc1[C@@H]1OCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000343380240 161130017 /nfs/dbraw/zinc/13/00/17/161130017.db2.gz ASLFWHFAIKLBJJ-CQPIPWFBSA-N 0 3 328.372 2.461 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000343759502 161165693 /nfs/dbraw/zinc/16/56/93/161165693.db2.gz CNNBKHQXXPEBLJ-VXGBXAGGSA-N 0 3 333.388 2.349 20 5 EEBDHN CCCN1CCC[C@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000343934993 161181990 /nfs/dbraw/zinc/18/19/90/161181990.db2.gz WFOOZPZSHQJFAP-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000344845201 161250628 /nfs/dbraw/zinc/25/06/28/161250628.db2.gz ZOCVYHHWCCFHOG-UONOGXRCSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@H](CO)N1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000346693220 161392388 /nfs/dbraw/zinc/39/23/88/161392388.db2.gz LNEAMUPZJAXXCS-GFCCVEGCSA-N 0 3 327.812 2.137 20 5 EEBDHN CN(C)CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000355342060 163152696 /nfs/dbraw/zinc/15/26/96/163152696.db2.gz NSHBAVNEUWUXND-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295966 164277876 /nfs/dbraw/zinc/27/78/76/164277876.db2.gz KOQKGLAMUIGLJQ-HIFRSBDPSA-N 0 3 342.399 2.184 20 5 EEBDHN NC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000159133001 225153415 /nfs/dbraw/zinc/15/34/15/225153415.db2.gz DZMLUMIFPGTIKP-INIZCTEOSA-N 0 3 335.407 2.008 20 5 EEBDHN CC[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000245994286 292597666 /nfs/dbraw/zinc/59/76/66/292597666.db2.gz DYPBTRUOQMQJAG-PMPSAXMXSA-N 0 3 335.404 2.271 20 5 EEBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123473975 222283946 /nfs/dbraw/zinc/28/39/46/222283946.db2.gz YYENGYYIIZJPHF-UHFFFAOYSA-N 0 3 328.372 2.359 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278444754 269232281 /nfs/dbraw/zinc/23/22/81/269232281.db2.gz HUQVTIUJJKLVSX-OAHLLOKOSA-N 0 3 349.431 2.145 20 5 EEBDHN CC1(C)C[C@@H](NCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279044363 274428460 /nfs/dbraw/zinc/42/84/60/274428460.db2.gz JOWFTEVNXKQXBA-CQSZACIVSA-N 0 3 326.418 2.342 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997427 274825728 /nfs/dbraw/zinc/82/57/28/274825728.db2.gz YCOWWKNLXLZZRF-ZFWWWQNUSA-N 0 3 333.388 2.059 20 5 EEBDHN Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000290775899 275238465 /nfs/dbraw/zinc/23/84/65/275238465.db2.gz MRHSPBWHDLRLJN-TXEJJXNPSA-N 0 3 349.412 2.463 20 5 EEBDHN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000342471405 279878629 /nfs/dbraw/zinc/87/86/29/279878629.db2.gz JCZCQFASHVOABE-DZGCQCFKSA-N 0 3 336.411 2.196 20 5 EEBDHN Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322414762 280629357 /nfs/dbraw/zinc/62/93/57/280629357.db2.gz XEUDUNIFNURKDK-LLVKDONJSA-N 0 3 335.385 2.441 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCC(F)(F)F ZINC000293496188 293223091 /nfs/dbraw/zinc/22/30/91/293223091.db2.gz ZHKLONSRTUXQOB-LBPRGKRZSA-N 0 3 336.310 2.009 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000293714828 293276855 /nfs/dbraw/zinc/27/68/55/293276855.db2.gz ORUCDLFKRFPDDB-CQSZACIVSA-N 0 3 331.416 2.470 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000297295571 294204612 /nfs/dbraw/zinc/20/46/12/294204612.db2.gz LZXVDRHBYWUMFP-AWEZNQCLSA-N 0 3 346.431 2.263 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000297959581 294383278 /nfs/dbraw/zinc/38/32/78/294383278.db2.gz VBLKZJLKUGHBNZ-OAHLLOKOSA-N 0 3 325.315 2.041 20 5 EEBDHN CN(C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000412557251 312686034 /nfs/dbraw/zinc/68/60/34/312686034.db2.gz IHAJEHASWXSZBV-UHFFFAOYSA-N 0 3 335.339 2.021 20 5 EEBDHN Cc1cccc(NCC2(N3CCOCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000413483552 312870917 /nfs/dbraw/zinc/87/09/17/312870917.db2.gz RPHVALJBVMOQPO-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415572474 313146567 /nfs/dbraw/zinc/14/65/67/313146567.db2.gz BHBZAMFZRIAICC-DGCLKSJQSA-N 0 3 336.392 2.446 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425070264 314329329 /nfs/dbraw/zinc/32/93/29/314329329.db2.gz WHMABMJSFIIVIG-BLLLJJGKSA-N 0 3 333.388 2.160 20 5 EEBDHN CC(C)OC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542278840 318125651 /nfs/dbraw/zinc/12/56/51/318125651.db2.gz RXBKUYISDDCMRM-AWEZNQCLSA-N 0 3 338.404 2.224 20 5 EEBDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503342 318159991 /nfs/dbraw/zinc/15/99/91/318159991.db2.gz NDYICHPIOJKPBM-UKRRQHHQSA-N 0 3 348.403 2.463 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169961 318524817 /nfs/dbraw/zinc/52/48/17/318524817.db2.gz JGJSFKMRDBZFFW-NEPJUHHUSA-N 0 3 347.371 2.022 20 5 EEBDHN Cc1nn(C)c(C)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558580993 318717329 /nfs/dbraw/zinc/71/73/29/318717329.db2.gz ZYFVRTLKCOAVAU-UHFFFAOYSA-N 0 3 331.376 2.064 20 5 EEBDHN O=C(CCN[C@@H]1c2ccccc2C[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000564571301 319091930 /nfs/dbraw/zinc/09/19/30/319091930.db2.gz LTWJJBIMDDRVBR-FUHWJXTLSA-N 0 3 341.367 2.171 20 5 EEBDHN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000566231239 319262883 /nfs/dbraw/zinc/26/28/83/319262883.db2.gz NUVKWIIMECWHJZ-NOZJJQNGSA-N 0 3 349.309 2.215 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000182500969 323376900 /nfs/dbraw/zinc/37/69/00/323376900.db2.gz GZJBTFZASCCWHC-ZBFHGGJFSA-N 0 3 332.404 2.221 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859862 465197611 /nfs/dbraw/zinc/19/76/11/465197611.db2.gz CRWRJZHQZCWBNN-RDJZCZTQSA-N 0 3 347.394 2.031 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154087 465296608 /nfs/dbraw/zinc/29/66/08/465296608.db2.gz UMOPNJAZJHWQPB-SJKOYZFVSA-N 0 3 344.415 2.145 20 5 EEBDHN CC1(C)CCCN1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590663660 468299129 /nfs/dbraw/zinc/29/91/29/468299129.db2.gz VOIFZMSPPZOWON-UHFFFAOYSA-N 0 3 335.404 2.330 20 5 EEBDHN Cc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644995 462702706 /nfs/dbraw/zinc/70/27/06/462702706.db2.gz LXBKSPCWQHSVBW-JKSUJKDBSA-N 0 3 342.399 2.346 20 5 EEBDHN CN(CCN1CCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000118887971 462859576 /nfs/dbraw/zinc/85/95/76/462859576.db2.gz CQNJOVBPMJZITL-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000068798956 463177732 /nfs/dbraw/zinc/17/77/32/463177732.db2.gz ZEFYRSLZHUKFJG-UHFFFAOYSA-N 0 3 334.420 2.217 20 5 EEBDHN C[C@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995051 468346152 /nfs/dbraw/zinc/34/61/52/468346152.db2.gz CVTBWKJTZYPGOJ-QWHCGFSZSA-N 0 3 326.418 2.394 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163029183 463557677 /nfs/dbraw/zinc/55/76/77/463557677.db2.gz OBAPXLCYBUUNFU-UWVGGRQHSA-N 0 3 327.768 2.201 20 5 EEBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(CC4CC4)C3)cc2N1 ZINC000108350305 463600554 /nfs/dbraw/zinc/60/05/54/463600554.db2.gz YQBDSXXNMQGSEX-CYBMUJFWSA-N 0 3 330.388 2.376 20 5 EEBDHN Cc1nn(C)c2ncc(CNCCOc3ccc([N+](=O)[O-])cc3)cc12 ZINC000553445925 468366929 /nfs/dbraw/zinc/36/69/29/468366929.db2.gz IDUULNIQCOLOKM-UHFFFAOYSA-N 0 3 341.371 2.354 20 5 EEBDHN Cc1nc([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268507741 463771786 /nfs/dbraw/zinc/77/17/86/463771786.db2.gz UDGGBULOTIZIRI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268507741 463771789 /nfs/dbraw/zinc/77/17/89/463771789.db2.gz UDGGBULOTIZIRI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268507741 463771794 /nfs/dbraw/zinc/77/17/94/463771794.db2.gz UDGGBULOTIZIRI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN COCC1=CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000185896045 463900960 /nfs/dbraw/zinc/90/09/60/463900960.db2.gz WAQDDTKEBABJCK-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000283662810 463965401 /nfs/dbraw/zinc/96/54/01/463965401.db2.gz DVXVNZBKDQENKL-NSHDSACASA-N 0 3 336.367 2.017 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178979928 464028967 /nfs/dbraw/zinc/02/89/67/464028967.db2.gz YBBHVCVKIZCWPK-WFASDCNBSA-N 0 3 341.433 2.089 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(CC2CCOCC2)CC1 ZINC000172427541 464078790 /nfs/dbraw/zinc/07/87/90/464078790.db2.gz YELCHYXGKUVBKG-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN COC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591012872 468391944 /nfs/dbraw/zinc/39/19/44/468391944.db2.gz WTVOJWWMXYNAAF-HNNXBMFYSA-N 0 3 349.387 2.341 20 5 EEBDHN CSC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313683 464194205 /nfs/dbraw/zinc/19/42/05/464194205.db2.gz DVKIJZUIHLUUMV-KGLIPLIRSA-N 0 3 340.445 2.410 20 5 EEBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C)CC1 ZINC000179844880 464197563 /nfs/dbraw/zinc/19/75/63/464197563.db2.gz IZCIAFMVSFXSAJ-UHFFFAOYSA-N 0 3 343.330 2.362 20 5 EEBDHN CCCC[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236768761 464224517 /nfs/dbraw/zinc/22/45/17/464224517.db2.gz UWVZNBZDSIBLRD-INIZCTEOSA-N 0 3 335.404 2.482 20 5 EEBDHN COc1cc(CNC[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000237231381 464289047 /nfs/dbraw/zinc/28/90/47/464289047.db2.gz WNFLDUIUIFNIRB-MRXNPFEDSA-N 0 3 332.356 2.441 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264659488 464411290 /nfs/dbraw/zinc/41/12/90/464411290.db2.gz YJERUMVUENSRGX-CYBMUJFWSA-N 0 3 348.359 2.203 20 5 EEBDHN COC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225429 464526458 /nfs/dbraw/zinc/52/64/58/464526458.db2.gz SVHAMYOINBTEFD-SWLSCSKDSA-N 0 3 333.388 2.220 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272233827 464528985 /nfs/dbraw/zinc/52/89/85/464528985.db2.gz VCCFDQFFSQRFFM-GUYCJALGSA-N 0 3 346.431 2.263 20 5 EEBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285346950 464531918 /nfs/dbraw/zinc/53/19/18/464531918.db2.gz YYBJPNSUCANAOZ-LLVKDONJSA-N 0 3 349.416 2.021 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272258097 464539799 /nfs/dbraw/zinc/53/97/99/464539799.db2.gz AIFDWGUXKYNZSR-SJKOYZFVSA-N 0 3 344.415 2.335 20 5 EEBDHN CN(C)C(=O)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000182223123 464603749 /nfs/dbraw/zinc/60/37/49/464603749.db2.gz AFUVLGXZINQSJU-UHFFFAOYSA-N 0 3 335.404 2.164 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])o1 ZINC000294805092 464610369 /nfs/dbraw/zinc/61/03/69/464610369.db2.gz UQIFQZIZGITCIY-UHFFFAOYSA-N 0 3 325.409 2.314 20 5 EEBDHN COc1ccc([C@@H](CCO)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395546 464644999 /nfs/dbraw/zinc/64/49/99/464644999.db2.gz HYQUVUOBRLDLEV-MSOLQXFVSA-N 0 3 346.383 2.350 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182643028 464700491 /nfs/dbraw/zinc/70/04/91/464700491.db2.gz RFRQABWOUPOGFI-LBPRGKRZSA-N 0 3 345.403 2.131 20 5 EEBDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248471391 464756217 /nfs/dbraw/zinc/75/62/17/464756217.db2.gz VQJSBGGDEYSAQY-HUUCEWRRSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)N(C)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276070152 464797677 /nfs/dbraw/zinc/79/76/77/464797677.db2.gz MIIUMQTZNYEGKJ-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN CCC1(O)CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266744554 464806227 /nfs/dbraw/zinc/80/62/27/464806227.db2.gz OEHIWFUHNVJBHE-UHFFFAOYSA-N 0 3 335.404 2.469 20 5 EEBDHN C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183290389 464843241 /nfs/dbraw/zinc/84/32/41/464843241.db2.gz YZXGSKWAMJNOIB-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286397446 464903544 /nfs/dbraw/zinc/90/35/44/464903544.db2.gz JIRIYMWKHHBBOK-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN1CCCC1 ZINC000276373416 464906690 /nfs/dbraw/zinc/90/66/90/464906690.db2.gz XLASCAKIOJFLIH-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000192674672 464974715 /nfs/dbraw/zinc/97/47/15/464974715.db2.gz HRZPXKLBGROUTL-STQMWFEESA-N 0 3 339.440 2.421 20 5 EEBDHN C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000298660474 465464074 /nfs/dbraw/zinc/46/40/74/465464074.db2.gz CCQHDOBWNJFHLY-QMMMGPOBSA-N 0 3 332.307 2.268 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000359810315 465492483 /nfs/dbraw/zinc/49/24/83/465492483.db2.gz OWZJBJXCKVDIRF-WFASDCNBSA-N 0 3 328.372 2.316 20 5 EEBDHN Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954152 465510432 /nfs/dbraw/zinc/51/04/32/465510432.db2.gz JTOHWOIPXOPIKH-STQMWFEESA-N 0 3 333.310 2.033 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000298947389 465548081 /nfs/dbraw/zinc/54/80/81/465548081.db2.gz FACFYOLSXANICJ-KBPBESRZSA-N 0 3 335.404 2.210 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000344549757 465667124 /nfs/dbraw/zinc/66/71/24/465667124.db2.gz ORZGLHPLDPLLPK-LJQANCHMSA-N 0 3 341.411 2.321 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348683241 465740123 /nfs/dbraw/zinc/74/01/23/465740123.db2.gz OFXLVAUPXAWQDI-MRXNPFEDSA-N 0 3 349.435 2.180 20 5 EEBDHN Cc1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000361260654 465869746 /nfs/dbraw/zinc/86/97/46/465869746.db2.gz HSUULDMGTJICEK-GOSISDBHSA-N 0 3 342.399 2.347 20 5 EEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000346202940 465987587 /nfs/dbraw/zinc/98/75/87/465987587.db2.gz AUBACIYYBDMKTN-CQSZACIVSA-N 0 3 344.419 2.536 20 5 EEBDHN COc1cccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331229834 465989091 /nfs/dbraw/zinc/98/90/91/465989091.db2.gz POZFBPVVVUMCHB-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346249695 466027810 /nfs/dbraw/zinc/02/78/10/466027810.db2.gz XKRKEQOOVYECLO-KCQAQPDRSA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000349379615 466090560 /nfs/dbraw/zinc/09/05/60/466090560.db2.gz CGTHMHKHLROFTH-LRDDRELGSA-N 0 3 330.388 2.198 20 5 EEBDHN CN1CCCC[C@H]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000340708347 466280235 /nfs/dbraw/zinc/28/02/35/466280235.db2.gz BBCYPHRKGNYFSO-ZDUSSCGKSA-N 0 3 332.360 2.286 20 5 EEBDHN COC(=O)[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597241416 468492998 /nfs/dbraw/zinc/49/29/98/468492998.db2.gz DBCXFRUSJDVRHV-MQMHXKEQSA-N 0 3 344.371 2.037 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347250443 466509209 /nfs/dbraw/zinc/50/92/09/466509209.db2.gz NWJDTAADTTYYAA-TZMCWYRMSA-N 0 3 328.372 2.488 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1nccc(C)c1[N+](=O)[O-] ZINC000341026193 466522363 /nfs/dbraw/zinc/52/23/63/466522363.db2.gz CRUKJZURZYEFSK-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN Cc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000363763809 466601912 /nfs/dbraw/zinc/60/19/12/466601912.db2.gz HMXHXJYKTFGRSU-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000324010670 466642589 /nfs/dbraw/zinc/64/25/89/466642589.db2.gz LDZXVZVGAHHNRK-UHFFFAOYSA-N 0 3 327.388 2.284 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCN(C)C2CC2)c1F ZINC000408523650 466678224 /nfs/dbraw/zinc/67/82/24/466678224.db2.gz UKXFCSOOMWAYGE-UHFFFAOYSA-N 0 3 327.331 2.348 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374618606 466694123 /nfs/dbraw/zinc/69/41/23/466694123.db2.gz HSYHZQWVYCCPFK-OAHLLOKOSA-N 0 3 341.367 2.177 20 5 EEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000432772826 467262406 /nfs/dbraw/zinc/26/24/06/467262406.db2.gz ALWSUWWSHLXDSF-CQSZACIVSA-N 0 3 348.321 2.499 20 5 EEBDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000413726135 467299736 /nfs/dbraw/zinc/29/97/36/467299736.db2.gz RTRUSAHKISYTPZ-AFAVFJNCSA-N 0 3 329.400 2.465 20 5 EEBDHN CCOc1ccc([C@H](C)NCCCS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000414342333 467405648 /nfs/dbraw/zinc/40/56/48/467405648.db2.gz PDQYQOZIIAEJLQ-LBPRGKRZSA-N 0 3 344.433 2.469 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNCc2ccccc21 ZINC000430926357 467476827 /nfs/dbraw/zinc/47/68/27/467476827.db2.gz OBCZXGJMVLSJCI-UHFFFAOYSA-N 0 3 340.383 2.452 20 5 EEBDHN CCN(CCOc1ccccc1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000420971140 467522873 /nfs/dbraw/zinc/52/28/73/467522873.db2.gz HMLOQMZTTXRPLX-UHFFFAOYSA-N 0 3 345.399 2.466 20 5 EEBDHN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1CC(C)(C)O ZINC000450474930 467856073 /nfs/dbraw/zinc/85/60/73/467856073.db2.gz UDGPNYSCWTXMPT-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265642 468040953 /nfs/dbraw/zinc/04/09/53/468040953.db2.gz QSQYTHSKWQUKRD-XPTSAGLGSA-N 0 3 327.768 2.344 20 5 EEBDHN CNc1c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597710849 468646797 /nfs/dbraw/zinc/64/67/97/468646797.db2.gz PGSUBJBUMZJTMJ-QGZVFWFLSA-N 0 3 332.404 2.194 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592247838 468664829 /nfs/dbraw/zinc/66/48/29/468664829.db2.gz VBOSWSUPCQPRBY-MRXNPFEDSA-N 0 3 334.420 2.243 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000592446730 468700585 /nfs/dbraw/zinc/70/05/85/468700585.db2.gz RSDIHMVHNWSSTI-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN CC(C)(C)N1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594957134 468731564 /nfs/dbraw/zinc/73/15/64/468731564.db2.gz NXKGBEBHGYKFAN-ZDUSSCGKSA-N 0 3 335.404 2.328 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCOCC1(C)C ZINC000595010033 468743145 /nfs/dbraw/zinc/74/31/45/468743145.db2.gz FNFHVXOLXHOUGI-CYBMUJFWSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1ccc(C(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261043 468809924 /nfs/dbraw/zinc/80/99/24/468809924.db2.gz CYSNDNFBZOSDGU-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595490303 468874244 /nfs/dbraw/zinc/87/42/44/468874244.db2.gz PGTBQVALGKGPGC-IMJJTQAJSA-N 0 3 335.379 2.471 20 5 EEBDHN O=C1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1 ZINC000602639404 468983171 /nfs/dbraw/zinc/98/31/71/468983171.db2.gz ICIDUOMCBGSSFL-LLVKDONJSA-N 0 3 331.294 2.372 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@H]1OCCc2sccc21 ZINC000602841792 469110489 /nfs/dbraw/zinc/11/04/89/469110489.db2.gz SEOGTOGFTUYOBX-MEBBXXQBSA-N 0 3 336.417 2.453 20 5 EEBDHN Cc1nn(C[C@]2(O)CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000601957035 469112213 /nfs/dbraw/zinc/11/22/13/469112213.db2.gz SVSQACBCAHOFCZ-KRWDZBQOSA-N 0 3 330.388 2.045 20 5 EEBDHN Cc1cc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596110811 469158480 /nfs/dbraw/zinc/15/84/80/469158480.db2.gz TWFCIOOLVAPWQV-CYBMUJFWSA-N 0 3 340.449 2.319 20 5 EEBDHN CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000611713192 469307892 /nfs/dbraw/zinc/30/78/92/469307892.db2.gz ZURIOVIDWAKYPM-KGLIPLIRSA-N 0 3 333.417 2.020 20 5 EEBDHN Cc1ccncc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939750 469348109 /nfs/dbraw/zinc/34/81/09/469348109.db2.gz NORAGUHWHUCOKT-HIFRSBDPSA-N 0 3 331.372 2.389 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000618935276 469475843 /nfs/dbraw/zinc/47/58/43/469475843.db2.gz CMUDMSKZCDVEKJ-TZMCWYRMSA-N 0 3 343.387 2.101 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609382851 469923218 /nfs/dbraw/zinc/92/32/18/469923218.db2.gz FKCSHIMQBNAZHJ-ZDUSSCGKSA-N 0 3 328.372 2.290 20 5 EEBDHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@H]21 ZINC000627654735 469967459 /nfs/dbraw/zinc/96/74/59/469967459.db2.gz MPPPYASRUTVOSA-MNZLEMJZSA-N 0 3 347.418 2.313 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000610209674 469988148 /nfs/dbraw/zinc/98/81/48/469988148.db2.gz WNXASGLVSAMPCX-SMDDNHRTSA-N 0 3 332.404 2.382 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181931523 528748200 /nfs/dbraw/zinc/74/82/00/528748200.db2.gz QRQTWBDOWBYIEV-BBRMVZONSA-N 0 3 340.445 2.408 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000459478475 535869635 /nfs/dbraw/zinc/86/96/35/535869635.db2.gz ISIRFNQNYIIHCY-UHFFFAOYSA-N 0 3 349.416 2.069 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000425054933 536487749 /nfs/dbraw/zinc/48/77/49/536487749.db2.gz GDEBYTBBEPCWCJ-WMLDXEAASA-N 0 3 342.399 2.102 20 5 EEBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC000726972017 576363227 /nfs/dbraw/zinc/36/32/27/576363227.db2.gz RHZCQMHMOZRYFH-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279117 577456634 /nfs/dbraw/zinc/45/66/34/577456634.db2.gz XHSMUGWAECVNDF-WMLDXEAASA-N 0 3 330.388 2.241 20 5 EEBDHN CC1(C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000776590058 577463521 /nfs/dbraw/zinc/46/35/21/577463521.db2.gz ASTSGDZPRNZIIK-INIZCTEOSA-N 0 3 336.388 2.103 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](C)(O)c1ccco1 ZINC000766180830 577514339 /nfs/dbraw/zinc/51/43/39/577514339.db2.gz ANNOGTBBANUVEY-SJCJKPOMSA-N 0 3 347.371 2.402 20 5 EEBDHN CN(CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695102 577980190 /nfs/dbraw/zinc/98/01/90/577980190.db2.gz ZYCGVDAIPSNOBR-SFHVURJKSA-N 0 3 329.400 2.350 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735273722 578143439 /nfs/dbraw/zinc/14/34/39/578143439.db2.gz ZVHFJKLRAJEUFR-HNNXBMFYSA-N 0 3 346.387 2.165 20 5 EEBDHN Cc1nc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001022594899 677969684 /nfs/dbraw/zinc/96/96/84/677969684.db2.gz JPXSSUWXPHFBPO-BETUJISGSA-N 0 3 346.412 2.410 20 5 EEBDHN COc1c(O)ccc(CN[C@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000892756228 682999461 /nfs/dbraw/zinc/99/94/61/682999461.db2.gz XCVSEIMZQCOEKU-JTQLQIEISA-N 0 3 349.309 2.035 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CN(C)CCN1C ZINC000872036688 1198032352 /nfs/dbraw/zinc/03/23/52/1198032352.db2.gz VFQSJPQCHZKGKE-TZMCWYRMSA-N 0 3 338.477 2.213 20 5 EEBDHN COCCN1CCC(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874192909 1198818924 /nfs/dbraw/zinc/81/89/24/1198818924.db2.gz AOIWBFXOVWQFTR-UHFFFAOYSA-N 0 3 335.404 2.052 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ocnc1C(F)F ZINC001133925741 1199175816 /nfs/dbraw/zinc/17/58/16/1199175816.db2.gz SQHJVHVXPPTIRV-UHFFFAOYSA-N 0 3 340.286 2.040 20 5 EEBDHN COc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001134387537 1199538823 /nfs/dbraw/zinc/53/88/23/1199538823.db2.gz NVEXSVORQKAZRR-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN O=C(Cc1c(F)cccc1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133054151 1200362779 /nfs/dbraw/zinc/36/27/79/1200362779.db2.gz DGRMMODLSAUVDG-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN CC(COC(=O)C1=Cc2cc(Br)ccc2OC1)[N+](=O)[O-] ZINC000813101545 1201096810 /nfs/dbraw/zinc/09/68/10/1201096810.db2.gz DAMXDSUQNUDALG-MRVPVSSYSA-N 0 3 342.145 2.433 20 5 EEBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000813101565 1201097421 /nfs/dbraw/zinc/09/74/21/1201097421.db2.gz DKLFPVONDAKAGR-SSDOTTSWSA-N 0 3 334.250 2.486 20 5 EEBDHN CC(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813114416 1201124736 /nfs/dbraw/zinc/12/47/36/1201124736.db2.gz RGTBARDDDUSVIW-LURJTMIESA-N 0 3 333.094 2.179 20 5 EEBDHN CC(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813114418 1201124903 /nfs/dbraw/zinc/12/49/03/1201124903.db2.gz RGTBARDDDUSVIW-ZCFIWIBFSA-N 0 3 333.094 2.179 20 5 EEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[N+](=O)[O-] ZINC000813115638 1201125516 /nfs/dbraw/zinc/12/55/16/1201125516.db2.gz WULHPQOBTOHAQM-DTWKUNHWSA-N 0 3 344.726 2.040 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccn2)C2CC2)c1 ZINC000932375117 1207593435 /nfs/dbraw/zinc/59/34/35/1207593435.db2.gz JSNDPTBZOQDKKW-YJBOKZPZSA-N 0 3 343.383 2.470 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CCC)c1ccccc1[N+](=O)[O-] ZINC001101163617 1245470934 /nfs/dbraw/zinc/47/09/34/1245470934.db2.gz ZRWOSUPVGDWUOS-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN O=[N+]([O-])c1ccc(F)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001215673194 1296967913 /nfs/dbraw/zinc/96/79/13/1296967913.db2.gz MIUPLHMQCZBWLD-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000799190970 1305180788 /nfs/dbraw/zinc/18/07/88/1305180788.db2.gz VXOZUBXADAJTFH-GJZGRUSLSA-N 0 3 343.383 2.219 20 5 EEBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001162586184 1320905225 /nfs/dbraw/zinc/90/52/25/1320905225.db2.gz SBJYMPLFOXTMEN-UHFFFAOYSA-N 0 3 328.785 2.185 20 5 EEBDHN C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000843455540 1315918722 /nfs/dbraw/zinc/91/87/22/1315918722.db2.gz QQAUZRWNPFTQKM-IUCAKERBSA-N 0 3 329.759 2.139 20 5 EEBDHN O=C(Cc1ccc(F)cc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149610331 1315998363 /nfs/dbraw/zinc/99/83/63/1315998363.db2.gz OBIMWTDGCCCFMX-UHFFFAOYSA-N 0 3 331.347 2.182 20 5 EEBDHN O=C(COc1ccccc1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150950393 1316417070 /nfs/dbraw/zinc/41/70/70/1316417070.db2.gz OPDLETWAVAVGHX-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2n(c1)CCCC2 ZINC001153924239 1316917016 /nfs/dbraw/zinc/91/70/16/1316917016.db2.gz LHUNKHWQBAEEKF-UHFFFAOYSA-N 0 3 342.399 2.252 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H](Oc3ncccn3)C1)C2 ZINC001254606588 1318142630 /nfs/dbraw/zinc/14/26/30/1318142630.db2.gz GRUNVOFYSKVLSS-JKSUJKDBSA-N 0 3 326.356 2.005 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609145186 1351860605 /nfs/dbraw/zinc/86/06/05/1351860605.db2.gz DIRMEAQZEKVJSK-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609145186 1351860610 /nfs/dbraw/zinc/86/06/10/1351860610.db2.gz DIRMEAQZEKVJSK-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609145186 1351860613 /nfs/dbraw/zinc/86/06/13/1351860613.db2.gz DIRMEAQZEKVJSK-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609145186 1351860616 /nfs/dbraw/zinc/86/06/16/1351860616.db2.gz DIRMEAQZEKVJSK-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CSCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340621484 1337216604 /nfs/dbraw/zinc/21/66/04/1337216604.db2.gz OESYOQJKTQBGSQ-CQSZACIVSA-N 0 3 325.434 2.412 20 5 EEBDHN CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340943062 1337268054 /nfs/dbraw/zinc/26/80/54/1337268054.db2.gz KGCKQENZWAIOGK-UHFFFAOYSA-N 0 3 347.423 2.122 20 5 EEBDHN CNc1nccc(C(=O)OC[C@@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000848790089 1338764610 /nfs/dbraw/zinc/76/46/10/1338764610.db2.gz JRVQGHKXTUJTLM-LBPRGKRZSA-N 0 3 336.392 2.451 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590624294 1349378709 /nfs/dbraw/zinc/37/87/09/1349378709.db2.gz IPIMESWTQLMNJZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590624294 1349378715 /nfs/dbraw/zinc/37/87/15/1349378715.db2.gz IPIMESWTQLMNJZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590624294 1349378722 /nfs/dbraw/zinc/37/87/22/1349378722.db2.gz IPIMESWTQLMNJZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590624294 1349378727 /nfs/dbraw/zinc/37/87/27/1349378727.db2.gz IPIMESWTQLMNJZ-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083313 785394238 /nfs/dbraw/zinc/39/42/38/785394238.db2.gz ZFRIRDLUGQBBKS-NVXWUHKLSA-N 0 3 328.372 2.394 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107231251 786532124 /nfs/dbraw/zinc/53/21/24/786532124.db2.gz BCSLVRDHDPRYDO-SNAWJCMRSA-N 0 3 338.383 2.158 20 5 EEBDHN CN(CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-])CC(C)(C)C ZINC001107513710 787471386 /nfs/dbraw/zinc/47/13/86/787471386.db2.gz KKAMJDRRVWQXNH-AATRIKPKSA-N 0 3 349.435 2.052 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847155 788336575 /nfs/dbraw/zinc/33/65/75/788336575.db2.gz WQTFYKHHTGISLI-ZBFHGGJFSA-N 0 3 335.360 2.390 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112353182 795289013 /nfs/dbraw/zinc/28/90/13/795289013.db2.gz VDQRSIGWAAHGAG-UHFFFAOYSA-N 0 3 349.435 2.125 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H]3C[C@@H](CO)C[C@@H]31)CC2 ZINC001172903914 797131078 /nfs/dbraw/zinc/13/10/78/797131078.db2.gz JPBWNKYBVUSKMW-KRDRHDLTSA-N 0 3 346.427 2.314 20 5 EEBDHN NCc1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008502 797195390 /nfs/dbraw/zinc/19/53/90/797195390.db2.gz AFDVNBAOGJHFAO-UHFFFAOYSA-N 0 3 337.330 2.370 20 5 EEBDHN Cc1ccc(OCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001150138005 797267106 /nfs/dbraw/zinc/26/71/06/797267106.db2.gz YUFHEZGWQFZGOJ-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN Cc1ccc(NCCCN(C)C(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001109454644 805491977 /nfs/dbraw/zinc/49/19/77/805491977.db2.gz KPZHETVXVSGONW-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472315 807541296 /nfs/dbraw/zinc/54/12/96/807541296.db2.gz BCXNSQNZLBPTJD-INIZCTEOSA-N 0 3 346.387 2.142 20 5 EEBDHN O=C([O-])CCC[NH+]1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000902357978 980851360 /nfs/dbraw/zinc/85/13/60/980851360.db2.gz DVDKGMUNGNIASS-UHFFFAOYSA-N 0 3 335.404 2.056 20 5 EEBDHN CCN(C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051469726 214094990 /nfs/dbraw/zinc/09/49/90/214094990.db2.gz PFLUOCQDTGYYGZ-UHFFFAOYSA-N 0 3 334.401 2.400 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055757381 214341196 /nfs/dbraw/zinc/34/11/96/214341196.db2.gz ZQFXNNLMCIWZFI-XQQFMLRXSA-N 0 3 334.420 2.394 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@H]2CNCc2ccccc2[N+](=O)[O-])cn1 ZINC000354836068 282641347 /nfs/dbraw/zinc/64/13/47/282641347.db2.gz AQENZCXAOAUWOW-CVEARBPZSA-N 0 3 347.394 2.031 20 5 EEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188037984 236396784 /nfs/dbraw/zinc/39/67/84/236396784.db2.gz YZHSBIIIBLSJHZ-FZMZJTMJSA-N 0 3 335.404 2.324 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495458148 247163754 /nfs/dbraw/zinc/16/37/54/247163754.db2.gz HIMJNYPPBVJRQQ-JQIVSHAJSA-N 0 3 331.372 2.428 20 5 EEBDHN COC(=O)N1CCC(CNCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000495614758 247210468 /nfs/dbraw/zinc/21/04/68/247210468.db2.gz BORQMWBVHIAUPR-UHFFFAOYSA-N 0 3 337.376 2.171 20 5 EEBDHN CCN(CC)CC(=O)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266546134 248354000 /nfs/dbraw/zinc/35/40/00/248354000.db2.gz RMZXMHJCBITWRU-OAHLLOKOSA-N 0 3 348.447 2.142 20 5 EEBDHN COc1cc(N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000267251404 256042440 /nfs/dbraw/zinc/04/24/40/256042440.db2.gz UQYWPZJWNIXNKE-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270474932 256139243 /nfs/dbraw/zinc/13/92/43/256139243.db2.gz MLMOXJWESQPERB-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)CC1(C)C ZINC000271059490 256203870 /nfs/dbraw/zinc/20/38/70/256203870.db2.gz SAOKHXKIWDDEFE-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106379 256354697 /nfs/dbraw/zinc/35/46/97/256354697.db2.gz VFXVNPBZHAEXAM-UTUOFQBUSA-N 0 3 337.376 2.099 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000123188191 292279666 /nfs/dbraw/zinc/27/96/66/292279666.db2.gz SUHQESXNELNIJD-IUODEOHRSA-N 0 3 344.415 2.288 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354151779 153140643 /nfs/dbraw/zinc/14/06/43/153140643.db2.gz YNPHTXRGUIINTG-UHFFFAOYSA-N 0 3 342.399 2.385 20 5 EEBDHN COc1ccc(-c2ccc(CNCCCNC(C)=O)o2)c([N+](=O)[O-])c1 ZINC000237287595 160220455 /nfs/dbraw/zinc/22/04/55/160220455.db2.gz LLPATRNECZWJSF-UHFFFAOYSA-N 0 3 347.371 2.479 20 5 EEBDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245699990 160248512 /nfs/dbraw/zinc/24/85/12/160248512.db2.gz NCVVFRRLJXSEFK-XJKSGUPXSA-N 0 3 331.372 2.423 20 5 EEBDHN CC[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247571347 160329460 /nfs/dbraw/zinc/32/94/60/160329460.db2.gz RUMXVGRPRGUYNI-HIFRSBDPSA-N 0 3 326.418 2.162 20 5 EEBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N(CCN1CCCCCC1)C1CCC1 ZINC000345762476 161330071 /nfs/dbraw/zinc/33/00/71/161330071.db2.gz IFMSEGBCXGTIAU-UHFFFAOYSA-N 0 3 349.435 2.048 20 5 EEBDHN CC(=O)N[C@H](C)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000360615628 164351675 /nfs/dbraw/zinc/35/16/75/164351675.db2.gz ZOCXZMKIIBHMHA-CYBMUJFWSA-N 0 3 335.404 2.210 20 5 EEBDHN CCc1nn(C)c(CC)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369555371 166284298 /nfs/dbraw/zinc/28/42/98/166284298.db2.gz BSRJBJZYBVAMMF-UHFFFAOYSA-N 0 3 346.435 2.487 20 5 EEBDHN COC(=O)C1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278703741 269241784 /nfs/dbraw/zinc/24/17/84/269241784.db2.gz NYRCVULGEIORQP-UHFFFAOYSA-N 0 3 332.360 2.293 20 5 EEBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566440 274374367 /nfs/dbraw/zinc/37/43/67/274374367.db2.gz CYYMWNXMKAIBPA-SJCJKPOMSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1ccc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350073 274749511 /nfs/dbraw/zinc/74/95/11/274749511.db2.gz PIVDPROPVSYCKZ-HOTGVXAUSA-N 0 3 332.448 2.365 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600225 275074440 /nfs/dbraw/zinc/07/44/40/275074440.db2.gz YPDGTBFCTGQYIZ-NHYWBVRUSA-N 0 3 348.359 2.202 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263768476 277886700 /nfs/dbraw/zinc/88/67/00/277886700.db2.gz RXNRJJYXUUHNMT-ZIAGYGMSSA-N 0 3 334.420 2.315 20 5 EEBDHN CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271137613 278148412 /nfs/dbraw/zinc/14/84/12/278148412.db2.gz OICZDORUCKZKRP-LSDHHAIUSA-N 0 3 337.445 2.031 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)c(F)c1 ZINC000293081383 293120103 /nfs/dbraw/zinc/12/01/03/293120103.db2.gz WGXCZPPPZQVQBL-GFCCVEGCSA-N 0 3 344.350 2.467 20 5 EEBDHN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1=CCN(C)CC1 ZINC000332500388 312016057 /nfs/dbraw/zinc/01/60/57/312016057.db2.gz QZVNAKNBDPHNID-CYBMUJFWSA-N 0 3 344.415 2.313 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1 ZINC000420436001 313958050 /nfs/dbraw/zinc/95/80/50/313958050.db2.gz AEAMXULVMYRAQB-NSHDSACASA-N 0 3 347.824 2.059 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000421705163 314145804 /nfs/dbraw/zinc/14/58/04/314145804.db2.gz QRIJQDAJMJSMJP-CYBMUJFWSA-N 0 3 325.796 2.343 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)[C@H]1CCCSC1 ZINC000438996801 315062689 /nfs/dbraw/zinc/06/26/89/315062689.db2.gz ICKYFBPUKWEJJB-ZDUSSCGKSA-N 0 3 326.418 2.164 20 5 EEBDHN COC(=O)CC1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000533068606 317896574 /nfs/dbraw/zinc/89/65/74/317896574.db2.gz HXGHRLNBBRWVRQ-UHFFFAOYSA-N 0 3 349.387 2.389 20 5 EEBDHN CC[C@@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862646 318011426 /nfs/dbraw/zinc/01/14/26/318011426.db2.gz KHXLBFHIRHMLBU-OLZOCXBDSA-N 0 3 341.433 2.041 20 5 EEBDHN CC1CCN(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000564209124 319072762 /nfs/dbraw/zinc/07/27/62/319072762.db2.gz GZHAFOODGIRDEH-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN N[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000564833177 319115607 /nfs/dbraw/zinc/11/56/07/319115607.db2.gz LEULWGYELYMJNU-MRXNPFEDSA-N 0 3 327.384 2.214 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C ZINC000576254377 320156156 /nfs/dbraw/zinc/15/61/56/320156156.db2.gz JJSMUSCWQHTLQS-SMDDNHRTSA-N 0 3 331.376 2.048 20 5 EEBDHN CC[C@H](C)[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316780 320307205 /nfs/dbraw/zinc/30/72/05/320307205.db2.gz LXDHXDIQCQAZKW-WFASDCNBSA-N 0 3 344.433 2.019 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC2CC2)CC1 ZINC000193514420 323487248 /nfs/dbraw/zinc/48/72/48/323487248.db2.gz DDHQRXADTUHBAA-UHFFFAOYSA-N 0 3 346.431 2.259 20 5 EEBDHN N[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000580542264 324083567 /nfs/dbraw/zinc/08/35/67/324083567.db2.gz KUDXCVWNOWJXJE-AWEZNQCLSA-N 0 3 325.368 2.444 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000341328139 465113924 /nfs/dbraw/zinc/11/39/24/465113924.db2.gz KCMDLYFZWJZMBL-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209158 465117797 /nfs/dbraw/zinc/11/77/97/465117797.db2.gz FYVLKAQINXTQFV-ZBFHGGJFSA-N 0 3 333.432 2.459 20 5 EEBDHN COc1cc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635785 465139430 /nfs/dbraw/zinc/13/94/30/465139430.db2.gz YDDDWPHDCBBJJN-SWLSCSKDSA-N 0 3 347.371 2.089 20 5 EEBDHN Nc1ccc(NC[C@@H](c2cccs2)N2CCCC2)nc1[N+](=O)[O-] ZINC000590569981 468275158 /nfs/dbraw/zinc/27/51/58/468275158.db2.gz SLBULWYYDKPBDC-LBPRGKRZSA-N 0 3 333.417 2.883 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085620859 462555190 /nfs/dbraw/zinc/55/51/90/462555190.db2.gz NWEOKZAYHDKARC-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063722023 462665400 /nfs/dbraw/zinc/66/54/00/462665400.db2.gz VCLHQOHHVGMELN-UHFFFAOYSA-N 0 3 338.383 2.263 20 5 EEBDHN Cc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000064334705 462695669 /nfs/dbraw/zinc/69/56/69/462695669.db2.gz NXNJLMAYFBYVPN-LBPRGKRZSA-N 0 3 347.375 2.176 20 5 EEBDHN CC[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072485 462800713 /nfs/dbraw/zinc/80/07/13/462800713.db2.gz RUMXVGRPRGUYNI-DZGCQCFKSA-N 0 3 326.418 2.162 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000170713196 463699028 /nfs/dbraw/zinc/69/90/28/463699028.db2.gz MYOIUTXDKQNVGB-OAHLLOKOSA-N 0 3 332.404 2.012 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000170741326 463701868 /nfs/dbraw/zinc/70/18/68/463701868.db2.gz CWFNDUXCLUTDFV-OAHLLOKOSA-N 0 3 343.387 2.315 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000171126086 463791939 /nfs/dbraw/zinc/79/19/39/463791939.db2.gz ZWOULIOGAAEKAV-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1cccc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000568744796 468381645 /nfs/dbraw/zinc/38/16/45/468381645.db2.gz GBINSEYSUPIYSV-HNNXBMFYSA-N 0 3 327.388 2.422 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269113378 463879529 /nfs/dbraw/zinc/87/95/29/463879529.db2.gz YHFDGWLOKZOOTK-TZMCWYRMSA-N 0 3 348.403 2.087 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194618800 463896418 /nfs/dbraw/zinc/89/64/18/463896418.db2.gz OWPZKOUCNXHJBP-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194773023 463926055 /nfs/dbraw/zinc/92/60/55/463926055.db2.gz NJTCFJRCXLBSFT-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN CCC[C@]1(COC)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000194935621 463962121 /nfs/dbraw/zinc/96/21/21/463962121.db2.gz VTYGUPOYGZCQMN-QGZVFWFLSA-N 0 3 335.404 2.475 20 5 EEBDHN N[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262224215 463976817 /nfs/dbraw/zinc/97/68/17/463976817.db2.gz NAWUEEFHOXAJJG-ZWKOTPCHSA-N 0 3 339.395 2.481 20 5 EEBDHN Cc1nccn1CCCN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269558448 464019560 /nfs/dbraw/zinc/01/95/60/464019560.db2.gz BYEDTJNIAOBDQJ-UHFFFAOYSA-N 0 3 334.380 2.109 20 5 EEBDHN Cc1[nH+]ccn1CCCN(C)C(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000269558448 464019564 /nfs/dbraw/zinc/01/95/64/464019564.db2.gz BYEDTJNIAOBDQJ-UHFFFAOYSA-N 0 3 334.380 2.109 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179765692 464183240 /nfs/dbraw/zinc/18/32/40/464183240.db2.gz RHLOXXNLZXDQGC-QGZVFWFLSA-N 0 3 344.371 2.303 20 5 EEBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000284447972 464194924 /nfs/dbraw/zinc/19/49/24/464194924.db2.gz CJJDYZBAPFFZPV-CHWSQXEVSA-N 0 3 343.330 2.106 20 5 EEBDHN CC[C@@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229936176 464200729 /nfs/dbraw/zinc/20/07/29/464200729.db2.gz AKHQAMWFKGSVOJ-SNVBAGLBSA-N 0 3 340.181 2.407 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270990164 464272521 /nfs/dbraw/zinc/27/25/21/464272521.db2.gz DWLLMGSDCJUTSR-NWDGAFQWSA-N 0 3 343.836 2.366 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000173931569 464333589 /nfs/dbraw/zinc/33/35/89/464333589.db2.gz KUHZPXNDIOCONS-UHFFFAOYSA-N 0 3 346.391 2.017 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000237663516 464361142 /nfs/dbraw/zinc/36/11/42/464361142.db2.gz ZVFGWONLMUETBA-OAHLLOKOSA-N 0 3 349.412 2.190 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264594334 464387333 /nfs/dbraw/zinc/38/73/33/464387333.db2.gz WSJLGEBRHKOJTG-HNNXBMFYSA-N 0 3 347.415 2.451 20 5 EEBDHN CSc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000294230813 464438950 /nfs/dbraw/zinc/43/89/50/464438950.db2.gz AQONBOGYFGQAFK-GFCCVEGCSA-N 0 3 349.416 2.073 20 5 EEBDHN CSc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000294230813 464438957 /nfs/dbraw/zinc/43/89/57/464438957.db2.gz AQONBOGYFGQAFK-GFCCVEGCSA-N 0 3 349.416 2.073 20 5 EEBDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246696137 464612343 /nfs/dbraw/zinc/61/23/43/464612343.db2.gz IVMDIJCMKIQPEW-ZWNOBZJWSA-N 0 3 340.330 2.123 20 5 EEBDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287104 464620490 /nfs/dbraw/zinc/62/04/90/464620490.db2.gz IJIYPPHVUVEKAD-ZFWWWQNUSA-N 0 3 331.372 2.423 20 5 EEBDHN COc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838675 464705183 /nfs/dbraw/zinc/70/51/83/464705183.db2.gz FTJDWMUPVSYPCG-QWHCGFSZSA-N 0 3 342.417 2.049 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000182831784 464736651 /nfs/dbraw/zinc/73/66/51/464736651.db2.gz QJCZRTDVKNLDIJ-CABCVRRESA-N 0 3 326.418 2.083 20 5 EEBDHN Cc1cc(OCC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285977062 464762305 /nfs/dbraw/zinc/76/23/05/464762305.db2.gz WXFWFVHZAKFOEH-CABCVRRESA-N 0 3 347.415 2.367 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182964236 464767743 /nfs/dbraw/zinc/76/77/43/464767743.db2.gz XZLPZGLCEUZUEE-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN Cc1c([C@H](C)NCC2(OCCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000282761146 464936964 /nfs/dbraw/zinc/93/69/64/464936964.db2.gz OGFJGVJAVWSIHF-AWEZNQCLSA-N 0 3 338.404 2.112 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000295903876 465001118 /nfs/dbraw/zinc/00/11/18/465001118.db2.gz GTRJNTHKIWUVRL-SJORKVTESA-N 0 3 342.399 2.379 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000299431325 465745887 /nfs/dbraw/zinc/74/58/87/465745887.db2.gz DDILSNIVAZKPOK-AWEZNQCLSA-N 0 3 343.387 2.193 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000591348327 468454925 /nfs/dbraw/zinc/45/49/25/468454925.db2.gz SLMUKUZUVDAQIS-KRWDZBQOSA-N 0 3 340.383 2.281 20 5 EEBDHN CN1CCN(CC2(C)CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000366980673 466052223 /nfs/dbraw/zinc/05/22/23/466052223.db2.gz HUIJRXAQZNWAHE-UHFFFAOYSA-N 0 3 347.463 2.031 20 5 EEBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000353771297 466135861 /nfs/dbraw/zinc/13/58/61/466135861.db2.gz BBWNFJKDBRDZDR-LBPRGKRZSA-N 0 3 340.401 2.132 20 5 EEBDHN CN(Cc1ccc(Cl)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305709903 466432211 /nfs/dbraw/zinc/43/22/11/466432211.db2.gz XFJGMYJLHHEVEM-LBPRGKRZSA-N 0 3 342.758 2.077 20 5 EEBDHN COc1ccc(CNc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000373310550 466762451 /nfs/dbraw/zinc/76/24/51/466762451.db2.gz WDBGZPZMFCZRLF-UHFFFAOYSA-N 0 3 345.403 2.679 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417714484 466915595 /nfs/dbraw/zinc/91/55/95/466915595.db2.gz HPECYHSVSMNDPO-KGLIPLIRSA-N 0 3 334.420 2.309 20 5 EEBDHN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417715304 466916515 /nfs/dbraw/zinc/91/65/15/466916515.db2.gz JSSUMTNMRKSWKN-KBPBESRZSA-N 0 3 334.420 2.309 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2CCN[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417719808 466917415 /nfs/dbraw/zinc/91/74/15/466917415.db2.gz QPEXUPVJPVDEJW-KGLIPLIRSA-N 0 3 349.435 2.097 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](N)c2ccccc2CC)c1[N+](=O)[O-] ZINC000423975655 466934881 /nfs/dbraw/zinc/93/48/81/466934881.db2.gz LVTLJZGGFIMMMM-ZDUSSCGKSA-N 0 3 345.403 2.263 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])o1 ZINC000428546469 467245779 /nfs/dbraw/zinc/24/57/79/467245779.db2.gz NBASQRPYTQULFA-ZDUSSCGKSA-N 0 3 331.328 2.007 20 5 EEBDHN CCS(=O)(=O)CCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000414539414 467419910 /nfs/dbraw/zinc/41/99/10/467419910.db2.gz DJGHSSLVHRGXNZ-RAXLEYEMSA-N 0 3 326.418 2.413 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448907210 467605289 /nfs/dbraw/zinc/60/52/89/467605289.db2.gz CLOTWWIZNIBLJU-UHFFFAOYSA-N 0 3 345.403 2.399 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000488001883 468066170 /nfs/dbraw/zinc/06/61/70/468066170.db2.gz VQCLVVPWMWDKNG-OAHLLOKOSA-N 0 3 334.420 2.114 20 5 EEBDHN NC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000594523787 468614579 /nfs/dbraw/zinc/61/45/79/468614579.db2.gz DEZVBZYVRCMGCI-GFCCVEGCSA-N 0 3 346.309 2.158 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592379983 468685879 /nfs/dbraw/zinc/68/58/79/468685879.db2.gz GWNALFWYZOCGHV-CMPLNLGQSA-N 0 3 340.401 2.130 20 5 EEBDHN COC(=O)c1ccnc(N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598587836 468923833 /nfs/dbraw/zinc/92/38/33/468923833.db2.gz DPBPQYXFSCKKLQ-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1ccc(CN(CCN2CCOCC2)CC2CC2)cc1[N+](=O)[O-] ZINC000595806764 469020231 /nfs/dbraw/zinc/02/02/31/469020231.db2.gz FZGJHVGFOSWHKX-UHFFFAOYSA-N 0 3 349.431 2.148 20 5 EEBDHN Cn1cncc1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598918254 469047885 /nfs/dbraw/zinc/04/78/85/469047885.db2.gz VQTVTIYQICFRMD-UHFFFAOYSA-N 0 3 326.303 2.262 20 5 EEBDHN COc1cc(CNCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520856 469270904 /nfs/dbraw/zinc/27/09/04/469270904.db2.gz DRJCVLDGTBBOAB-UHFFFAOYSA-N 0 3 348.346 2.355 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCn2cc(CCN3CCCCC3)nn2)cc1 ZINC000603202047 469307852 /nfs/dbraw/zinc/30/78/52/469307852.db2.gz SIAITVJEFQBEDB-UHFFFAOYSA-N 0 3 345.403 2.294 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000611713195 469308302 /nfs/dbraw/zinc/30/83/02/469308302.db2.gz ZURIOVIDWAKYPM-ZIAGYGMSSA-N 0 3 333.417 2.020 20 5 EEBDHN COCC(=O)NC1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836028 469324015 /nfs/dbraw/zinc/32/40/15/469324015.db2.gz IVESAURVEVAQAQ-GXDHUFHOSA-N 0 3 347.415 2.225 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](O)C1CCOCC1 ZINC000602546202 469355707 /nfs/dbraw/zinc/35/57/07/469355707.db2.gz GZUBNMAEJYPQRX-AWEZNQCLSA-N 0 3 348.321 2.491 20 5 EEBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CSCCN1 ZINC000603418604 469389289 /nfs/dbraw/zinc/38/92/89/469389289.db2.gz HLROQEJKLXNTAL-MRVPVSSYSA-N 0 3 332.223 2.474 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000618935274 469475472 /nfs/dbraw/zinc/47/54/72/469475472.db2.gz CMUDMSKZCDVEKJ-JSGCOSHPSA-N 0 3 343.387 2.101 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000613779189 469789769 /nfs/dbraw/zinc/78/97/69/469789769.db2.gz CXGLASLINURBMP-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CCOc1ccc([C@H](C)NC[C@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424053 528607271 /nfs/dbraw/zinc/60/72/71/528607271.db2.gz MTOFKXCGFRGSSO-BLLLJJGKSA-N 0 3 326.393 2.432 20 5 EEBDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191644682 528622178 /nfs/dbraw/zinc/62/21/78/528622178.db2.gz FOQDYEZDMRELDV-KRWDZBQOSA-N 0 3 335.404 2.067 20 5 EEBDHN CCN(C[C@@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738081066 577998674 /nfs/dbraw/zinc/99/86/74/577998674.db2.gz KEPKMSPFPGVUPA-ZDUSSCGKSA-N 0 3 331.376 2.169 20 5 EEBDHN C[C@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000734004957 577269795 /nfs/dbraw/zinc/26/97/95/577269795.db2.gz NMSMLZNGPCVPTF-SFHVURJKSA-N 0 3 344.367 2.363 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(C(F)F)C2)cc1 ZINC000769553588 577580421 /nfs/dbraw/zinc/58/04/21/577580421.db2.gz IRIFZARDJSLCMI-UHFFFAOYSA-N 0 3 334.344 2.002 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000749639753 577979328 /nfs/dbraw/zinc/97/93/28/577979328.db2.gz QNMOJYNXOALIJC-HNNXBMFYSA-N 0 3 330.340 2.189 20 5 EEBDHN Cc1nc(CC(F)(F)F)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000893046716 683642920 /nfs/dbraw/zinc/64/29/20/683642920.db2.gz GJCHFVILBOROLP-LURJTMIESA-N 0 3 326.296 2.307 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001021774010 676433882 /nfs/dbraw/zinc/43/38/82/676433882.db2.gz HKWAIWXYEXPUMX-GASCZTMLSA-N 0 3 326.356 2.040 20 5 EEBDHN O=C(Cc1ccco1)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000984947818 685570454 /nfs/dbraw/zinc/57/04/54/685570454.db2.gz WOXCSJUZVNJXIM-AULYBMBSSA-N 0 3 349.412 2.476 20 5 EEBDHN CCOc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892797610 683065536 /nfs/dbraw/zinc/06/55/36/683065536.db2.gz QANRQYCCHFURKF-QGZVFWFLSA-N 0 3 333.388 2.208 20 5 EEBDHN C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCN1C ZINC000895245028 684369115 /nfs/dbraw/zinc/36/91/15/684369115.db2.gz CKDYKRYVCHNNFP-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CC[C@@H](O)C1 ZINC000872090083 1198044996 /nfs/dbraw/zinc/04/49/96/1198044996.db2.gz LIWFIMMDBODCDQ-DGCLKSJQSA-N 0 3 325.434 2.034 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000877346313 1199909266 /nfs/dbraw/zinc/90/92/66/1199909266.db2.gz QZYZSVNLUKKNBC-CQSZACIVSA-N 0 3 341.367 2.048 20 5 EEBDHN CC1(C)CCNCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000866803095 1201609471 /nfs/dbraw/zinc/60/94/71/1201609471.db2.gz BLXGVKXTQIIBMJ-UHFFFAOYSA-N 0 3 347.824 2.011 20 5 EEBDHN CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000882200408 1201829923 /nfs/dbraw/zinc/82/99/23/1201829923.db2.gz HYTLAXGVTZXDAZ-RYUDHWBXSA-N 0 3 326.397 2.145 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778295886 1208081543 /nfs/dbraw/zinc/08/15/43/1208081543.db2.gz XKHZTXKUJGUGKB-LLVKDONJSA-N 0 3 327.331 2.145 20 5 EEBDHN CN1CCN(c2cc[nH+]cc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001199828559 1285871139 /nfs/dbraw/zinc/87/11/39/1285871139.db2.gz MMCWYNKZNXSTGH-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN Cc1ncc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1[N+](=O)[O-] ZINC001213212274 1295941251 /nfs/dbraw/zinc/94/12/51/1295941251.db2.gz MBJUBBWDZNNPON-UHFFFAOYSA-N 0 3 338.327 2.056 20 5 EEBDHN CO[C@@H]1CCN(CCOc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140617 1302639278 /nfs/dbraw/zinc/63/92/78/1302639278.db2.gz FMWNOCRPBVYVJF-GFCCVEGCSA-N 0 3 345.193 2.457 20 5 EEBDHN CC(C)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843088391 1315838975 /nfs/dbraw/zinc/83/89/75/1315838975.db2.gz MZYIDZOUKQZHON-AGIUHOORSA-N 0 3 336.310 2.166 20 5 EEBDHN Cc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)sc1C ZINC001151441523 1316535973 /nfs/dbraw/zinc/53/59/73/1316535973.db2.gz LJLLIQAPQAIPHF-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN O=C1CCCN1C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607721 1318141771 /nfs/dbraw/zinc/14/17/71/1318141771.db2.gz MOHJJJYWWJOXEX-QGZVFWFLSA-N 0 3 329.400 2.149 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001157758712 1318841549 /nfs/dbraw/zinc/84/15/49/1318841549.db2.gz DJIZXAVOHWMBIO-ZDUSSCGKSA-N 0 3 329.316 2.049 20 5 EEBDHN Cc1cc(NCCCC[N@@H+](C)C2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409205 1351965154 /nfs/dbraw/zinc/96/51/54/1351965154.db2.gz BACBQKPOULBETD-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCCCC[N@H+](C)C2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409205 1351965159 /nfs/dbraw/zinc/96/51/59/1351965159.db2.gz BACBQKPOULBETD-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCCCC[N@@H+](C)C2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409205 1351965160 /nfs/dbraw/zinc/96/51/60/1351965160.db2.gz BACBQKPOULBETD-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN Cc1cc(NCCCC[N@H+](C)C2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409205 1351965161 /nfs/dbraw/zinc/96/51/61/1351965161.db2.gz BACBQKPOULBETD-UHFFFAOYSA-N 0 3 345.407 2.370 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001339266773 1336982983 /nfs/dbraw/zinc/98/29/83/1336982983.db2.gz WEDUNCJICRNARK-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN CC([C@H](OC(=O)[C@@H]1CCCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC001346536066 1337485863 /nfs/dbraw/zinc/48/58/63/1337485863.db2.gz VEXXFHLJTZLXGU-DGFSRKRXSA-N 0 3 338.335 2.086 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589136864 1348964889 /nfs/dbraw/zinc/96/48/89/1348964889.db2.gz UBTLQASPBAQHEC-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589136864 1348964895 /nfs/dbraw/zinc/96/48/95/1348964895.db2.gz UBTLQASPBAQHEC-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589136864 1348964898 /nfs/dbraw/zinc/96/48/98/1348964898.db2.gz UBTLQASPBAQHEC-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589136864 1348964902 /nfs/dbraw/zinc/96/49/02/1348964902.db2.gz UBTLQASPBAQHEC-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259542 1349233861 /nfs/dbraw/zinc/23/38/61/1349233861.db2.gz LCDMXGFESNUJLG-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590259542 1349233866 /nfs/dbraw/zinc/23/38/66/1349233866.db2.gz LCDMXGFESNUJLG-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259542 1349233873 /nfs/dbraw/zinc/23/38/73/1349233873.db2.gz LCDMXGFESNUJLG-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590259542 1349233877 /nfs/dbraw/zinc/23/38/77/1349233877.db2.gz LCDMXGFESNUJLG-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259676 1349235739 /nfs/dbraw/zinc/23/57/39/1349235739.db2.gz LWXMNDAFVBQVST-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCC[C@@H](C)C1 ZINC001590259676 1349235749 /nfs/dbraw/zinc/23/57/49/1349235749.db2.gz LWXMNDAFVBQVST-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259676 1349235762 /nfs/dbraw/zinc/23/57/62/1349235762.db2.gz LWXMNDAFVBQVST-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCC[C@@H](C)C1 ZINC001590259676 1349235770 /nfs/dbraw/zinc/23/57/70/1349235770.db2.gz LWXMNDAFVBQVST-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893742 1350797254 /nfs/dbraw/zinc/79/72/54/1350797254.db2.gz AMVSXJJSFJGPIN-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001603893742 1350797256 /nfs/dbraw/zinc/79/72/56/1350797256.db2.gz AMVSXJJSFJGPIN-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893742 1350797259 /nfs/dbraw/zinc/79/72/59/1350797259.db2.gz AMVSXJJSFJGPIN-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001603893742 1350797262 /nfs/dbraw/zinc/79/72/62/1350797262.db2.gz AMVSXJJSFJGPIN-NWDGAFQWSA-N 0 3 345.407 2.450 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(C2CC2)n[nH]1 ZINC001167252356 757576985 /nfs/dbraw/zinc/57/69/85/757576985.db2.gz BVGBAGQELQXXFP-UHFFFAOYSA-N 0 3 343.387 2.105 20 5 EEBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001105409021 782917610 /nfs/dbraw/zinc/91/76/10/782917610.db2.gz RCXZPWOIRFTXAJ-UHFFFAOYSA-N 0 3 336.436 2.140 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000809732606 783314748 /nfs/dbraw/zinc/31/47/48/783314748.db2.gz GMTTWIATJZYWJQ-CYBMUJFWSA-N 0 3 344.293 2.177 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000817907119 785061967 /nfs/dbraw/zinc/06/19/67/785061967.db2.gz KFLIPCKYFNUCOQ-CABCVRRESA-N 0 3 325.796 2.105 20 5 EEBDHN O=C1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979533 785348587 /nfs/dbraw/zinc/34/85/87/785348587.db2.gz PLLHODGAKZCTKN-WMLDXEAASA-N 0 3 341.367 2.023 20 5 EEBDHN O=c1[nH]c2c(cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819060987 785380941 /nfs/dbraw/zinc/38/09/41/785380941.db2.gz MXVHAXSKMCOFOI-MRXNPFEDSA-N 0 3 329.356 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000819168572 785442762 /nfs/dbraw/zinc/44/27/62/785442762.db2.gz QZCXTKOTSHLRHI-CYBMUJFWSA-N 0 3 344.293 2.177 20 5 EEBDHN CN(C)CCN(CCc1ccccc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822600241 787280409 /nfs/dbraw/zinc/28/04/09/787280409.db2.gz PVSNJLYHVCVDRR-UHFFFAOYSA-N 0 3 335.448 2.455 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823276288 787651549 /nfs/dbraw/zinc/65/15/49/787651549.db2.gz PPKVTDPRFUSDRF-SMDDNHRTSA-N 0 3 335.429 2.483 20 5 EEBDHN Cc1ccn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)c1 ZINC000845882269 789973791 /nfs/dbraw/zinc/97/37/91/789973791.db2.gz ODBOHBGHDOKTNT-PXAZEXFGSA-N 0 3 348.330 2.246 20 5 EEBDHN Cc1c(C)c(C)c(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1C ZINC001030292289 789980818 /nfs/dbraw/zinc/98/08/18/789980818.db2.gz BBKMUSMFVYILDP-SJLPKXTDSA-N 0 3 345.443 2.194 20 5 EEBDHN COCCN(CCOC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184361 797280138 /nfs/dbraw/zinc/28/01/38/797280138.db2.gz LYNZKMFNSYGRMN-GFCCVEGCSA-N 0 3 344.383 2.268 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)/C=C/C1CC1 ZINC001178110400 799271552 /nfs/dbraw/zinc/27/15/52/799271552.db2.gz ZJXWXBJITDKEHK-CMDGGOBGSA-N 0 3 349.435 2.061 20 5 EEBDHN COC(=O)c1ccccc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039789 803582625 /nfs/dbraw/zinc/58/26/25/803582625.db2.gz TZGCDILIGKETFO-GJZGRUSLSA-N 0 3 347.415 2.041 20 5 EEBDHN C[C@@H](NCCNC(=O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673638 807620953 /nfs/dbraw/zinc/62/09/53/807620953.db2.gz WXKHIKFUVYVDQF-LLVKDONJSA-N 0 3 346.362 2.397 20 5 EEBDHN COc1ccc(C[C@@H](C)N[C@@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312184 809885735 /nfs/dbraw/zinc/88/57/35/809885735.db2.gz DLCNROAUKDIFFJ-WBMJQRKESA-N 0 3 331.372 2.253 20 5 EEBDHN CC[C@@]1(CO)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187521953 529552379 /nfs/dbraw/zinc/55/23/79/529552379.db2.gz MYXMZKJNMCJLAG-QGZVFWFLSA-N 0 3 338.404 2.467 20 5 EEBDHN COc1ccc(OCCN(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181461767 234195048 /nfs/dbraw/zinc/19/50/48/234195048.db2.gz UFKCVBIMXPIRJB-BBRMVZONSA-N 0 3 338.404 2.465 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191340380 239053323 /nfs/dbraw/zinc/05/33/23/239053323.db2.gz MIKKQXUGBVCEER-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425058778 241113784 /nfs/dbraw/zinc/11/37/84/241113784.db2.gz PNFJVEDJYCLDOQ-GOEBONIOSA-N 0 3 347.415 2.225 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491882990 246196072 /nfs/dbraw/zinc/19/60/72/246196072.db2.gz FIXDGHAVYAHLCZ-SREVYHEPSA-N 0 3 347.415 2.177 20 5 EEBDHN CC(C)N(Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534850 248349631 /nfs/dbraw/zinc/34/96/31/248349631.db2.gz NTTVNWGFBUDOKN-HNNXBMFYSA-N 0 3 336.367 2.202 20 5 EEBDHN CCN1CCN([C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132755 218195994 /nfs/dbraw/zinc/19/59/94/218195994.db2.gz FRJRPOPUVSBQBC-FZMUQLTDSA-N 0 3 344.459 2.320 20 5 EEBDHN COCCN(C)CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000093962721 218258617 /nfs/dbraw/zinc/25/86/17/218258617.db2.gz XUQXCIQENNWGBN-UHFFFAOYSA-N 0 3 337.420 2.218 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c2ncccc12 ZINC000267325410 256049321 /nfs/dbraw/zinc/04/93/21/256049321.db2.gz AXFBAKGYQQESCF-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000271175304 256216596 /nfs/dbraw/zinc/21/65/96/256216596.db2.gz UZCXPELLSYYDNI-CYBMUJFWSA-N 0 3 325.409 2.222 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000271065049 256204172 /nfs/dbraw/zinc/20/41/72/256204172.db2.gz WUCFGHSPZYJSKQ-ZDUSSCGKSA-N 0 3 335.404 2.162 20 5 EEBDHN O=C1OCC[C@@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120770309 142396726 /nfs/dbraw/zinc/39/67/26/142396726.db2.gz PQMYFAMIEWYDDR-ZDUSSCGKSA-N 0 3 334.372 2.391 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374322448 154051226 /nfs/dbraw/zinc/05/12/26/154051226.db2.gz DARUNCYQFVLKEX-RDJZCZTQSA-N 0 3 332.448 2.053 20 5 EEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249155421 160375794 /nfs/dbraw/zinc/37/57/94/160375794.db2.gz YOXIPKCQGZQWOF-SWLSCSKDSA-N 0 3 349.387 2.054 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411468 160644387 /nfs/dbraw/zinc/64/43/87/160644387.db2.gz NQUTWKYPFQIFJJ-AAEUAGOBSA-N 0 3 343.330 2.334 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000346383604 161368146 /nfs/dbraw/zinc/36/81/46/161368146.db2.gz AGDTZSRJRVQARA-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346565638 161382293 /nfs/dbraw/zinc/38/22/93/161382293.db2.gz GIQFGIOJLAFABT-UHFFFAOYSA-N 0 3 343.387 2.307 20 5 EEBDHN COC(=O)COc1ccc(CNCC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000355158998 163097955 /nfs/dbraw/zinc/09/79/55/163097955.db2.gz PFHDYJODIUWJIG-UHFFFAOYSA-N 0 3 344.314 2.282 20 5 EEBDHN CSC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000355438104 163189778 /nfs/dbraw/zinc/18/97/78/163189778.db2.gz DEAHIBYJPUXXMS-UHFFFAOYSA-N 0 3 337.445 2.081 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000376297301 167299804 /nfs/dbraw/zinc/29/98/04/167299804.db2.gz YPWZCCCTMXKKQK-NEPJUHHUSA-N 0 3 334.397 2.251 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272233829 268933140 /nfs/dbraw/zinc/93/31/40/268933140.db2.gz VCCFDQFFSQRFFM-SUMWQHHRSA-N 0 3 346.431 2.263 20 5 EEBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275155620 269098949 /nfs/dbraw/zinc/09/89/49/269098949.db2.gz YXGABFWNEBWFDY-LLVKDONJSA-N 0 3 331.294 2.095 20 5 EEBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O ZINC000275533181 269122110 /nfs/dbraw/zinc/12/21/10/269122110.db2.gz XKAAIHCIRLNLRG-AWEZNQCLSA-N 0 3 339.367 2.155 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278435139 269231500 /nfs/dbraw/zinc/23/15/00/269231500.db2.gz PYKJEPFKUZSLOY-CQSZACIVSA-N 0 3 347.463 2.248 20 5 EEBDHN C[C@H]1CCSCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361289 269274202 /nfs/dbraw/zinc/27/42/02/269274202.db2.gz WIQBEDBLVSBFCW-JSGCOSHPSA-N 0 3 326.418 2.162 20 5 EEBDHN CC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922542 269558433 /nfs/dbraw/zinc/55/84/33/269558433.db2.gz CGQBVRPOYGYRSL-SWLSCSKDSA-N 0 3 326.418 2.460 20 5 EEBDHN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272750025 274180684 /nfs/dbraw/zinc/18/06/84/274180684.db2.gz NJJQPFZTIMTLPG-ZDUSSCGKSA-N 0 3 332.404 2.087 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450471230 274228051 /nfs/dbraw/zinc/22/80/51/274228051.db2.gz CHSGWAKMWPDZIC-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000277933429 274325174 /nfs/dbraw/zinc/32/51/74/274325174.db2.gz KAWCIGWIMLMLEJ-ABAIWWIYSA-N 0 3 345.403 2.302 20 5 EEBDHN CCN1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278397350 274351417 /nfs/dbraw/zinc/35/14/17/274351417.db2.gz MPDDSYAMTJZFDH-UHFFFAOYSA-N 0 3 347.341 2.058 20 5 EEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285755309 274787111 /nfs/dbraw/zinc/78/71/11/274787111.db2.gz ZBFJFIDAYYDZGC-KEYYUXOJSA-N 0 3 346.431 2.480 20 5 EEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000286224942 274850075 /nfs/dbraw/zinc/85/00/75/274850075.db2.gz CTKOQPAIHJIPDV-HOTGVXAUSA-N 0 3 347.415 2.229 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000287296263 274952068 /nfs/dbraw/zinc/95/20/68/274952068.db2.gz ZXRIETHNTOHZRW-QMMMGPOBSA-N 0 3 345.197 2.429 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000288397893 275054244 /nfs/dbraw/zinc/05/42/44/275054244.db2.gz MQLUUEPCGFPNBQ-STQMWFEESA-N 0 3 333.388 2.302 20 5 EEBDHN CCN1CCN([C@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507404 276201560 /nfs/dbraw/zinc/20/15/60/276201560.db2.gz CKADCKUYZGBBDX-CVEARBPZSA-N 0 3 332.448 2.368 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264620840 279237094 /nfs/dbraw/zinc/23/70/94/279237094.db2.gz RMGLWSREPOGXQH-HUUCEWRRSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343421554 281013470 /nfs/dbraw/zinc/01/34/70/281013470.db2.gz CVWRWHXPCDYPBN-HZPDHXFCSA-N 0 3 332.448 2.365 20 5 EEBDHN Cn1cc(CN2CCC[C@@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294163001 293386000 /nfs/dbraw/zinc/38/60/00/293386000.db2.gz WBFWFGPMSSKDDQ-MRXNPFEDSA-N 0 3 330.388 2.342 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000297782177 294339682 /nfs/dbraw/zinc/33/96/82/294339682.db2.gz NJJYXDAIMNUOQC-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1cccnc1[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090554354 302247114 /nfs/dbraw/zinc/24/71/14/302247114.db2.gz NGNMTGFNPHYGLN-MRXNPFEDSA-N 0 3 330.388 2.447 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000332488970 312014850 /nfs/dbraw/zinc/01/48/50/312014850.db2.gz ODHCXERDXVXJES-GDBMZVCRSA-N 0 3 346.431 2.400 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356428783 312397148 /nfs/dbraw/zinc/39/71/48/312397148.db2.gz PLHQDMCMRQDOHM-UHFFFAOYSA-N 0 3 345.403 2.052 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413814113 312924136 /nfs/dbraw/zinc/92/41/36/312924136.db2.gz FMMUWMIIGPJANZ-LSDHHAIUSA-N 0 3 343.387 2.095 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415768422 313182078 /nfs/dbraw/zinc/18/20/78/313182078.db2.gz VMGYSHIAEAEGRQ-YGRLFVJLSA-N 0 3 336.392 2.392 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000524341888 317014085 /nfs/dbraw/zinc/01/40/85/317014085.db2.gz NIUVGKODDJQUPA-INIZCTEOSA-N 0 3 332.404 2.365 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000539295491 318053497 /nfs/dbraw/zinc/05/34/97/318053497.db2.gz OPYDIZXDXAFJBA-NOLJZWGESA-N 0 3 335.404 2.190 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCCCC2)c2c(c1)COCO2 ZINC000541051631 318091606 /nfs/dbraw/zinc/09/16/06/318091606.db2.gz RATUCBRXVNMQKO-MRXNPFEDSA-N 0 3 336.388 2.492 20 5 EEBDHN COc1ccc(CC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738968 318317494 /nfs/dbraw/zinc/31/74/94/318317494.db2.gz BANREOLNTYDITM-INIZCTEOSA-N 0 3 349.431 2.383 20 5 EEBDHN CN(C[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556507 319300200 /nfs/dbraw/zinc/30/02/00/319300200.db2.gz NXFGEMVIFNYZQW-CQSZACIVSA-N 0 3 347.337 2.158 20 5 EEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CNCc2ccccc21 ZINC000574568335 320036638 /nfs/dbraw/zinc/03/66/38/320036638.db2.gz JIMSVRMYZIOLPM-OAHLLOKOSA-N 0 3 340.383 2.010 20 5 EEBDHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000182280870 323370719 /nfs/dbraw/zinc/37/07/19/323370719.db2.gz SQXTYTIPFNSBOA-HOCLYGCPSA-N 0 3 333.388 2.031 20 5 EEBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264524 465135362 /nfs/dbraw/zinc/13/53/62/465135362.db2.gz YLYDTGXEIYGKOI-GOEBONIOSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296302745 465149430 /nfs/dbraw/zinc/14/94/30/465149430.db2.gz PJDSUKHBDMNMKQ-CABCVRRESA-N 0 3 335.404 2.375 20 5 EEBDHN CO[C@@]1(C)C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419846 465187812 /nfs/dbraw/zinc/18/78/12/465187812.db2.gz VMVCSKRGLDXCPR-QAPCUYQASA-N 0 3 347.415 2.277 20 5 EEBDHN Cn1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000358767683 465310575 /nfs/dbraw/zinc/31/05/75/465310575.db2.gz ZGKHBVQCFBNTKT-HNNXBMFYSA-N 0 3 342.399 2.328 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC(F)(F)C2)cc1 ZINC000591754399 468514944 /nfs/dbraw/zinc/51/49/44/468514944.db2.gz JCERXICLJOEJLU-JTQLQIEISA-N 0 3 334.344 2.146 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000062283475 462613284 /nfs/dbraw/zinc/61/32/84/462613284.db2.gz XDBBIMOHHFUBLB-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000590703699 468312776 /nfs/dbraw/zinc/31/27/76/468312776.db2.gz VUVGDGRXLLYWMW-GFCCVEGCSA-N 0 3 327.388 2.459 20 5 EEBDHN CCN1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000007964249 462760550 /nfs/dbraw/zinc/76/05/50/462760550.db2.gz ZNOUXMVVONXPMV-UHFFFAOYSA-N 0 3 332.404 2.383 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCC(C)CC1 ZINC000156132580 462982921 /nfs/dbraw/zinc/98/29/21/462982921.db2.gz NVZHBGRXEWPGKR-UHFFFAOYSA-N 0 3 336.392 2.457 20 5 EEBDHN Cc1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000024085750 463078303 /nfs/dbraw/zinc/07/83/03/463078303.db2.gz VBBRQKBUOVTVCR-UHFFFAOYSA-N 0 3 326.356 2.261 20 5 EEBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000121223399 463099611 /nfs/dbraw/zinc/09/96/11/463099611.db2.gz LVIJUCLMNXPNKO-UHFFFAOYSA-N 0 3 333.344 2.058 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269113376 463879680 /nfs/dbraw/zinc/87/96/80/463879680.db2.gz YHFDGWLOKZOOTK-GXTWGEPZSA-N 0 3 348.403 2.087 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171853040 463936978 /nfs/dbraw/zinc/93/69/78/463936978.db2.gz CVAPBJIPGKREJV-CQSZACIVSA-N 0 3 349.435 2.180 20 5 EEBDHN Cn1cc(CN2CCC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269340230 463958661 /nfs/dbraw/zinc/95/86/61/463958661.db2.gz FUVDFGOOGPELEO-CYBMUJFWSA-N 0 3 330.388 2.200 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000278762935 463982100 /nfs/dbraw/zinc/98/21/00/463982100.db2.gz NTSQCJLUDCPATQ-LLVKDONJSA-N 0 3 340.811 2.333 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440174 463985727 /nfs/dbraw/zinc/98/57/27/463985727.db2.gz PFQMXVCEWUKRRQ-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440174 463985731 /nfs/dbraw/zinc/98/57/31/463985731.db2.gz PFQMXVCEWUKRRQ-LBPRGKRZSA-N 0 3 335.408 2.142 20 5 EEBDHN O=C1NCCC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590971882 468387641 /nfs/dbraw/zinc/38/76/41/468387641.db2.gz SFMWMHQOZVRATN-CYBMUJFWSA-N 0 3 329.356 2.471 20 5 EEBDHN CC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922536 464042673 /nfs/dbraw/zinc/04/26/73/464042673.db2.gz CGQBVRPOYGYRSL-IUODEOHRSA-N 0 3 326.418 2.460 20 5 EEBDHN CCCC(=O)NC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643059 464044599 /nfs/dbraw/zinc/04/45/99/464044599.db2.gz JTPHYUHAOMIKIN-PBHICJAKSA-N 0 3 349.431 2.257 20 5 EEBDHN COc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964110 464141369 /nfs/dbraw/zinc/14/13/69/464141369.db2.gz VYDWDBFNNDWSLQ-RDJZCZTQSA-N 0 3 346.383 2.178 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000284424881 464186663 /nfs/dbraw/zinc/18/66/63/464186663.db2.gz OXTRISZEABWKPL-VXGBXAGGSA-N 0 3 333.388 2.349 20 5 EEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180697842 464372237 /nfs/dbraw/zinc/37/22/37/464372237.db2.gz WUKFCIZKMHPZTK-GFCCVEGCSA-N 0 3 334.420 2.417 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1 ZINC000237988797 464415335 /nfs/dbraw/zinc/41/53/35/464415335.db2.gz XAZSRNGKLSYOCM-UHFFFAOYSA-N 0 3 331.372 2.277 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000281484936 464474274 /nfs/dbraw/zinc/47/42/74/464474274.db2.gz HCMUEKRLVIVLCW-AWEZNQCLSA-N 0 3 347.415 2.439 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265358943 464530286 /nfs/dbraw/zinc/53/02/86/464530286.db2.gz ZFOHGBCLMJKHHP-CQSZACIVSA-N 0 3 335.404 2.164 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838674 464704771 /nfs/dbraw/zinc/70/47/71/464704771.db2.gz FTJDWMUPVSYPCG-OLZOCXBDSA-N 0 3 342.417 2.049 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128761 464937656 /nfs/dbraw/zinc/93/76/56/464937656.db2.gz UMRKFYMETWLOFH-GXSJLCMTSA-N 0 3 348.359 2.166 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CCOC(C)C)CC1 ZINC000192644695 464966482 /nfs/dbraw/zinc/96/64/82/464966482.db2.gz HGVPRCSOHUBVBX-UHFFFAOYSA-N 0 3 339.440 2.421 20 5 EEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000554600012 468428481 /nfs/dbraw/zinc/42/84/81/468428481.db2.gz QZLFRTQHHPKKRE-LBPRGKRZSA-N 0 3 337.424 2.388 20 5 EEBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875947 464994002 /nfs/dbraw/zinc/99/40/02/464994002.db2.gz FXYNOJNKURMVBW-XJKSGUPXSA-N 0 3 338.404 2.081 20 5 EEBDHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579301 465529820 /nfs/dbraw/zinc/52/98/20/465529820.db2.gz KFZNTNJAJMZVSB-KBXCAEBGSA-N 0 3 342.399 2.464 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000330606214 465728035 /nfs/dbraw/zinc/72/80/35/465728035.db2.gz ZTQYBSDSVHMJGL-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1ccccn1 ZINC000361047018 465728687 /nfs/dbraw/zinc/72/86/87/465728687.db2.gz VERLOKDDGRLHHY-UHFFFAOYSA-N 0 3 332.408 2.083 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000330606217 465729153 /nfs/dbraw/zinc/72/91/53/465729153.db2.gz ZTQYBSDSVHMJGL-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000338062125 465791509 /nfs/dbraw/zinc/79/15/09/465791509.db2.gz GEEPOXNVWICSNL-XJKSGUPXSA-N 0 3 334.420 2.261 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000591348328 468455027 /nfs/dbraw/zinc/45/50/27/468455027.db2.gz SLMUKUZUVDAQIS-QGZVFWFLSA-N 0 3 340.383 2.281 20 5 EEBDHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346258673 466035910 /nfs/dbraw/zinc/03/59/10/466035910.db2.gz IQOHHUKRDYWKMP-VNHYZAJKSA-N 0 3 347.415 2.406 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279196 466055081 /nfs/dbraw/zinc/05/50/81/466055081.db2.gz VENKWGRQLWVALA-LZWOXQAQSA-N 0 3 347.415 2.162 20 5 EEBDHN CCc1n[nH]c(C(=O)N(CC)CCN2CCCCCC2)c1[N+](=O)[O-] ZINC000346300384 466074886 /nfs/dbraw/zinc/07/48/86/466074886.db2.gz QDEZQFFVSLYWAJ-UHFFFAOYSA-N 0 3 337.424 2.218 20 5 EEBDHN CCc1[nH]nc(C(=O)N(CC)CCN2CCCCCC2)c1[N+](=O)[O-] ZINC000346300384 466074895 /nfs/dbraw/zinc/07/48/95/466074895.db2.gz QDEZQFFVSLYWAJ-UHFFFAOYSA-N 0 3 337.424 2.218 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000340527656 466153217 /nfs/dbraw/zinc/15/32/17/466153217.db2.gz UQFFDCMURYVJOK-UHFFFAOYSA-N 0 3 336.436 2.077 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C[S@](C)=O ZINC000362073487 466531835 /nfs/dbraw/zinc/53/18/35/466531835.db2.gz XBGFILVXYLJPNG-MNDBLIDSSA-N 0 3 341.433 2.011 20 5 EEBDHN C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1[C@H](C)CC[C@H]1C ZINC000347417021 466621659 /nfs/dbraw/zinc/62/16/59/466621659.db2.gz CVYHBBHUPHVKGD-MGPQQGTHSA-N 0 3 347.415 2.446 20 5 EEBDHN CN1CCC2(CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000368575812 466674448 /nfs/dbraw/zinc/67/44/48/466674448.db2.gz JUCJVNBECJRGLX-UHFFFAOYSA-N 0 3 346.431 2.407 20 5 EEBDHN COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000423605632 466782745 /nfs/dbraw/zinc/78/27/45/466782745.db2.gz HDENMRJUZPUHBS-LSDHHAIUSA-N 0 3 341.367 2.170 20 5 EEBDHN Cc1nnc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH]1 ZINC000412038939 466975994 /nfs/dbraw/zinc/97/59/94/466975994.db2.gz JTFBNJFCAUBVAU-JTQLQIEISA-N 0 3 328.332 2.152 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNC1(Cc2ccccc2)CCOCC1 ZINC000451942961 467290132 /nfs/dbraw/zinc/29/01/32/467290132.db2.gz USNIPSYIIMINPE-UHFFFAOYSA-N 0 3 330.388 2.210 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000454600868 467603544 /nfs/dbraw/zinc/60/35/44/467603544.db2.gz HDWYXCBBSDBKHX-DUVNUKRYSA-N 0 3 332.404 2.310 20 5 EEBDHN COc1ccc(CN(CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449682076 467687816 /nfs/dbraw/zinc/68/78/16/467687816.db2.gz GPBUMIKECAZGOO-UHFFFAOYSA-N 0 3 326.418 2.293 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000457217816 467780013 /nfs/dbraw/zinc/78/00/13/467780013.db2.gz HPDDQYODCCLJHG-UHFFFAOYSA-N 0 3 348.447 2.268 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458277005 467802382 /nfs/dbraw/zinc/80/23/82/467802382.db2.gz HZNGAAYUVJQHSQ-UHFFFAOYSA-N 0 3 331.376 2.108 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CCCO)ccc2ncccc21 ZINC000450596212 467876583 /nfs/dbraw/zinc/87/65/83/467876583.db2.gz NGMNRIFUTREPHZ-ZDUSSCGKSA-N 0 3 330.388 2.402 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000515125303 467974293 /nfs/dbraw/zinc/97/42/93/467974293.db2.gz ZPSHJNUHUFAPRN-ZDUSSCGKSA-N 0 3 333.388 2.016 20 5 EEBDHN CCOc1cc(NC[C@H](C)N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000486929879 468013967 /nfs/dbraw/zinc/01/39/67/468013967.db2.gz PZEGRRRTWDPSIC-AWEZNQCLSA-N 0 3 336.436 2.431 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251067 468040169 /nfs/dbraw/zinc/04/01/69/468040169.db2.gz NKQUAWAQJVUULK-USBNGQNGSA-N 0 3 337.376 2.088 20 5 EEBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283035 468042223 /nfs/dbraw/zinc/04/22/23/468042223.db2.gz SEIYFAGHUSSHSO-XPTSAGLGSA-N 0 3 327.768 2.344 20 5 EEBDHN COc1ccc(CC(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000519148272 468144508 /nfs/dbraw/zinc/14/45/08/468144508.db2.gz GFBJIAIODQZOQV-UHFFFAOYSA-N 0 3 337.420 2.192 20 5 EEBDHN COc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197148 468508299 /nfs/dbraw/zinc/50/82/99/468508299.db2.gz AMDJYUMUWTYNJQ-KBPBESRZSA-N 0 3 333.388 2.350 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000597603524 468613529 /nfs/dbraw/zinc/61/35/29/468613529.db2.gz CYQHJCYJBDTVSS-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598195643 468792242 /nfs/dbraw/zinc/79/22/42/468792242.db2.gz QGEJROBKMOHBKC-HNNXBMFYSA-N 0 3 342.399 2.312 20 5 EEBDHN N[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595260829 468796572 /nfs/dbraw/zinc/79/65/72/468796572.db2.gz MCKGMYPXGCVTPX-NXEZZACHSA-N 0 3 335.257 2.125 20 5 EEBDHN CC1CCN(C[C@H](O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571554662 468805703 /nfs/dbraw/zinc/80/57/03/468805703.db2.gz GSZLUZPBTARTTE-OAHLLOKOSA-N 0 3 348.447 2.373 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598261447 468809883 /nfs/dbraw/zinc/80/98/83/468809883.db2.gz FOTRALRJULNTSX-AWEZNQCLSA-N 0 3 334.420 2.243 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598266463 468811621 /nfs/dbraw/zinc/81/16/21/468811621.db2.gz YCPUHQMSYAAKSW-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(CCN1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593113055 468875826 /nfs/dbraw/zinc/87/58/26/468875826.db2.gz WGWCAWHDHAYXQT-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN Cc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000598716208 468971111 /nfs/dbraw/zinc/97/11/11/468971111.db2.gz AKTMBCIYVATBNG-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CC[C@@H](O)C2)o1 ZINC000599007963 469087007 /nfs/dbraw/zinc/08/70/07/469087007.db2.gz FGOMXZXDANDQLJ-CYBMUJFWSA-N 0 3 331.372 2.011 20 5 EEBDHN Cc1nn(C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000601957036 469112286 /nfs/dbraw/zinc/11/22/86/469112286.db2.gz SVSQACBCAHOFCZ-QGZVFWFLSA-N 0 3 330.388 2.045 20 5 EEBDHN CC1CCC(O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000596057836 469131814 /nfs/dbraw/zinc/13/18/14/469131814.db2.gz CCRGTNGJBWJZKX-UHFFFAOYSA-N 0 3 336.388 2.397 20 5 EEBDHN C[NH+](C)CCOc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118069 469164701 /nfs/dbraw/zinc/16/47/01/469164701.db2.gz NRAOARJILFVJHF-UHFFFAOYSA-N 0 3 332.360 2.248 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(C)(C)S(C)(=O)=O ZINC000615724214 469305449 /nfs/dbraw/zinc/30/54/49/469305449.db2.gz SPTGUNSKLXMQEB-XYOKQWHBSA-N 0 3 326.418 2.411 20 5 EEBDHN CCN[C@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602437324 469315924 /nfs/dbraw/zinc/31/59/24/469315924.db2.gz HQDAARKQFGOERG-SECBINFHSA-N 0 3 348.325 2.140 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619439191 469605835 /nfs/dbraw/zinc/60/58/35/469605835.db2.gz SZRDERSUSQFYHG-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc2c(cc1OC)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CC2 ZINC000619465659 469616159 /nfs/dbraw/zinc/61/61/59/469616159.db2.gz AZTFIJIPEMACMQ-AWEZNQCLSA-N 0 3 332.360 2.086 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000619491165 469624303 /nfs/dbraw/zinc/62/43/03/469624303.db2.gz OQAFFPBCLLZHGE-QWHCGFSZSA-N 0 3 339.465 2.136 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000619531127 469633465 /nfs/dbraw/zinc/63/34/65/469633465.db2.gz LZRJPBDVADBTGE-KRWDZBQOSA-N 0 3 349.431 2.290 20 5 EEBDHN CC(C)(C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064479 469977062 /nfs/dbraw/zinc/97/70/62/469977062.db2.gz UBLGSBGWMQVROC-OAHLLOKOSA-N 0 3 331.416 2.473 20 5 EEBDHN CC(C)C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C ZINC000181876127 528327486 /nfs/dbraw/zinc/32/74/86/528327486.db2.gz DUFWPNPFFDCIJF-LBPRGKRZSA-N 0 3 337.376 2.030 20 5 EEBDHN COCCCN1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266068298 536547083 /nfs/dbraw/zinc/54/70/83/536547083.db2.gz DQPNZRNXFOUDJU-UHFFFAOYSA-N 0 3 335.404 2.134 20 5 EEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459778139 535947809 /nfs/dbraw/zinc/94/78/09/535947809.db2.gz PGIZZTSACMDKBZ-YVLXSGLVSA-N 0 3 337.376 2.088 20 5 EEBDHN CCCC(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580952 577463105 /nfs/dbraw/zinc/46/31/05/577463105.db2.gz APIUVJZKNZAGGD-RHSMWYFYSA-N 0 3 349.431 2.257 20 5 EEBDHN CCCC(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580951 577463135 /nfs/dbraw/zinc/46/31/35/577463135.db2.gz APIUVJZKNZAGGD-PBHICJAKSA-N 0 3 349.431 2.257 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC(OCCN(C)C)CC1 ZINC000747618333 577946939 /nfs/dbraw/zinc/94/69/39/577946939.db2.gz QEIJLRCYKHJLRW-UHFFFAOYSA-N 0 3 337.420 2.288 20 5 EEBDHN CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(CC)CC ZINC000735990329 578176546 /nfs/dbraw/zinc/17/65/46/578176546.db2.gz BISNDNXJULMUGM-QGZVFWFLSA-N 0 3 348.447 2.364 20 5 EEBDHN Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021051702 675694082 /nfs/dbraw/zinc/69/40/82/675694082.db2.gz NBDNIYVPEFHLSH-HDJSIYSDSA-N 0 3 328.372 2.282 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000813618888 1199118226 /nfs/dbraw/zinc/11/82/26/1199118226.db2.gz PLIPQLNOLPLFNO-MRXNPFEDSA-N 0 3 346.362 2.349 20 5 EEBDHN CN(C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825835470 1199464295 /nfs/dbraw/zinc/46/42/95/1199464295.db2.gz KKIMYXHEZQKNAD-KRWDZBQOSA-N 0 3 349.431 2.351 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877347077 1199909988 /nfs/dbraw/zinc/90/99/88/1199909988.db2.gz QGMDOXAOTHHKIV-HNNXBMFYSA-N 0 3 325.368 2.348 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870950836 1200973983 /nfs/dbraw/zinc/97/39/83/1200973983.db2.gz NWKJTSSWKTZPRM-SFHVURJKSA-N 0 3 348.447 2.102 20 5 EEBDHN CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102283 1201097317 /nfs/dbraw/zinc/09/73/17/1201097317.db2.gz DEGAVYBJEQCBPP-UWVGGRQHSA-N 0 3 326.374 2.334 20 5 EEBDHN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107328 1201118848 /nfs/dbraw/zinc/11/88/48/1201118848.db2.gz LZOCTXHBVLPEIZ-HIFRSBDPSA-N 0 3 336.388 2.348 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(OC)cc1 ZINC000813109925 1201122100 /nfs/dbraw/zinc/12/21/00/1201122100.db2.gz QJTVTGRVIDRXEJ-NSHDSACASA-N 0 3 333.344 2.265 20 5 EEBDHN COC(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852770368 1292194211 /nfs/dbraw/zinc/19/42/11/1292194211.db2.gz LORZEFYOMKWXNY-UHFFFAOYSA-N 0 3 337.376 2.184 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCNC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986574 1310490554 /nfs/dbraw/zinc/49/05/54/1310490554.db2.gz FCANFKYGROWFGG-YGRLFVJLSA-N 0 3 347.337 2.371 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC001123358749 1310537516 /nfs/dbraw/zinc/53/75/16/1310537516.db2.gz AXJJYEQYCVALPZ-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN CC(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556933 1318120488 /nfs/dbraw/zinc/12/04/88/1318120488.db2.gz NLRXDNPGOQJBQK-MKVSYHDVSA-N 0 3 331.416 2.228 20 5 EEBDHN Cc1nccnc1O[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612040 1318146046 /nfs/dbraw/zinc/14/60/46/1318146046.db2.gz URGCXCQMYJXVTM-IAGOWNOFSA-N 0 3 340.383 2.314 20 5 EEBDHN COc1cc(N2CCC(n3ccc(CN)n3)CC2)ccc1[N+](=O)[O-] ZINC001256085486 1318642351 /nfs/dbraw/zinc/64/23/51/1318642351.db2.gz PSUGKLONFBALLS-UHFFFAOYSA-N 0 3 331.376 2.100 20 5 EEBDHN C[C@@H](N)c1ccn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158354518 1319195600 /nfs/dbraw/zinc/19/56/00/1319195600.db2.gz ANAYJDXNIJLDJA-SCSAIBSYSA-N 0 3 336.661 2.262 20 5 EEBDHN CCCn1nccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001158961340 1319531440 /nfs/dbraw/zinc/53/14/40/1319531440.db2.gz YKOFOOPTYBIFKV-UHFFFAOYSA-N 0 3 345.403 2.111 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc([N-]S(=O)(=O)c2ccc(C[NH3+])cc2)c1F ZINC001161752569 1320612016 /nfs/dbraw/zinc/61/20/16/1320612016.db2.gz ZQULTJIDJCCVKW-UHFFFAOYSA-N 0 3 339.348 2.302 20 5 EEBDHN NCc1cn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cn1 ZINC001162299128 1320812871 /nfs/dbraw/zinc/81/28/71/1320812871.db2.gz YZHFRWMJUHNKOZ-UHFFFAOYSA-N 0 3 325.328 2.213 20 5 EEBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)N ZINC001162779389 1320955830 /nfs/dbraw/zinc/95/58/30/1320955830.db2.gz YXNRUEIJYYJKRZ-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCc1nnn2c1CNCCC2 ZINC001162976808 1321002025 /nfs/dbraw/zinc/00/20/25/1321002025.db2.gz AZOZNEFPCBJBIC-QPJJXVBHSA-N 0 3 348.794 2.284 20 5 EEBDHN CC(C)(C)N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC001319701445 1332745971 /nfs/dbraw/zinc/74/59/71/1332745971.db2.gz XJRGGSYMCMOLDZ-UHFFFAOYSA-N 0 3 335.404 2.282 20 5 EEBDHN CC[NH+]1CCC(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609228052 1351902470 /nfs/dbraw/zinc/90/24/70/1351902470.db2.gz YFLVCMHBYOETKD-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589711639 1349021472 /nfs/dbraw/zinc/02/14/72/1349021472.db2.gz CSHCJJCKYJQPDH-UHFFFAOYSA-N 0 3 345.407 2.084 20 5 EEBDHN CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589711639 1349021476 /nfs/dbraw/zinc/02/14/76/1349021476.db2.gz CSHCJJCKYJQPDH-UHFFFAOYSA-N 0 3 345.407 2.084 20 5 EEBDHN C[N@H+](CCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001591065413 1349438716 /nfs/dbraw/zinc/43/87/16/1349438716.db2.gz NFPHKZOJEYMWQU-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001591065413 1349438722 /nfs/dbraw/zinc/43/87/22/1349438722.db2.gz NFPHKZOJEYMWQU-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@H+](CCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591065413 1349438728 /nfs/dbraw/zinc/43/87/28/1349438728.db2.gz NFPHKZOJEYMWQU-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591065413 1349438731 /nfs/dbraw/zinc/43/87/31/1349438731.db2.gz NFPHKZOJEYMWQU-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001603324349 1350687535 /nfs/dbraw/zinc/68/75/35/1350687535.db2.gz HCFCZGCOLOAMCR-UHFFFAOYSA-N 0 3 333.396 2.306 20 5 EEBDHN CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001603324349 1350687541 /nfs/dbraw/zinc/68/75/41/1350687541.db2.gz HCFCZGCOLOAMCR-UHFFFAOYSA-N 0 3 333.396 2.306 20 5 EEBDHN CS[C@@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605369653 1351146111 /nfs/dbraw/zinc/14/61/11/1351146111.db2.gz BHUWMJJLAFDPFA-LLVKDONJSA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605369653 1351146113 /nfs/dbraw/zinc/14/61/13/1351146113.db2.gz BHUWMJJLAFDPFA-LLVKDONJSA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605369653 1351146115 /nfs/dbraw/zinc/14/61/15/1351146115.db2.gz BHUWMJJLAFDPFA-LLVKDONJSA-N 0 3 348.432 2.492 20 5 EEBDHN CS[C@@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605369653 1351146116 /nfs/dbraw/zinc/14/61/16/1351146116.db2.gz BHUWMJJLAFDPFA-LLVKDONJSA-N 0 3 348.432 2.492 20 5 EEBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1Br ZINC000847713753 1373002053 /nfs/dbraw/zinc/00/20/53/1373002053.db2.gz APFVDRAORFHCBB-KWQFWETISA-N 0 3 332.150 2.345 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(N2CCOCC2)CC1 ZINC000894047707 780459669 /nfs/dbraw/zinc/45/96/69/780459669.db2.gz VFYCNRVXPCPTRE-UHFFFAOYSA-N 0 3 325.796 2.203 20 5 EEBDHN CC(COC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000817739598 784943828 /nfs/dbraw/zinc/94/38/28/784943828.db2.gz NBWOMKDVNSNIFM-SNVBAGLBSA-N 0 3 333.319 2.322 20 5 EEBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818951298 785340615 /nfs/dbraw/zinc/34/06/15/785340615.db2.gz AOUVMUHDKUWRFR-MRXNPFEDSA-N 0 3 332.356 2.435 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000819718587 785656492 /nfs/dbraw/zinc/65/64/92/785656492.db2.gz FLLKCESSXLVOPC-SMDDNHRTSA-N 0 3 339.342 2.239 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000923299427 789321861 /nfs/dbraw/zinc/32/18/61/789321861.db2.gz VDQSZQKOUTUQDV-UONOGXRCSA-N 0 3 333.388 2.059 20 5 EEBDHN CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1[N+](=O)[O-] ZINC000923310325 789368569 /nfs/dbraw/zinc/36/85/69/789368569.db2.gz FNDNJOQHWJDEDG-KGLIPLIRSA-N 0 3 333.388 2.302 20 5 EEBDHN CC([C@H](OC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845882629 789973884 /nfs/dbraw/zinc/97/38/84/789973884.db2.gz PGAVILPKDDOJAL-UVWXRNBGSA-N 0 3 338.335 2.134 20 5 EEBDHN COC(=O)c1ccnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219193 797299976 /nfs/dbraw/zinc/29/99/76/797299976.db2.gz YQZFNRCTWFXBPJ-LBPRGKRZSA-N 0 3 329.356 2.497 20 5 EEBDHN CC(C)CNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000917009931 798019137 /nfs/dbraw/zinc/01/91/37/798019137.db2.gz OHFMIFDJXAMWHA-UHFFFAOYSA-N 0 3 349.431 2.458 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)ccn1 ZINC001168884500 803500573 /nfs/dbraw/zinc/50/05/73/803500573.db2.gz YVMUWUVQNZCFFO-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011087 803570920 /nfs/dbraw/zinc/57/09/20/803570920.db2.gz IGOTZMLFKBZOSL-CRWXNKLISA-N 0 3 325.409 2.125 20 5 EEBDHN CCOc1cccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039760 803582811 /nfs/dbraw/zinc/58/28/11/803582811.db2.gz SXVKPNFXNTZJKV-CABCVRRESA-N 0 3 334.420 2.048 20 5 EEBDHN CCOc1cccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039763 803582815 /nfs/dbraw/zinc/58/28/15/803582815.db2.gz SXVKPNFXNTZJKV-LSDHHAIUSA-N 0 3 334.420 2.048 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NC[C@@H](CO)Cc1ccccc1)CNC2 ZINC001169904524 804193203 /nfs/dbraw/zinc/19/32/03/804193203.db2.gz ONTCEWCCWRPWBV-AWEZNQCLSA-N 0 3 327.384 2.461 20 5 EEBDHN CN(CCCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001109454592 805492425 /nfs/dbraw/zinc/49/24/25/805492425.db2.gz ILLPRRPJQZAKKN-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN Cc1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001131600865 813016042 /nfs/dbraw/zinc/01/60/42/813016042.db2.gz ASOHRFFNGSZPMR-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN NC(=O)c1cccc(N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000341929229 283385136 /nfs/dbraw/zinc/38/51/36/283385136.db2.gz NAPYRGQLDABBQP-UHFFFAOYSA-N 0 3 346.431 2.396 20 5 EEBDHN N[C@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000424071775 283644332 /nfs/dbraw/zinc/64/43/32/283644332.db2.gz FCTRGEFVYOEGDV-AWEZNQCLSA-N 0 3 341.367 2.280 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087299 248086819 /nfs/dbraw/zinc/08/68/19/248086819.db2.gz OBSZYPXJAHYNST-RISCZKNCSA-N 0 3 330.388 2.488 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)cc1SC ZINC000416305087 533132576 /nfs/dbraw/zinc/13/25/76/533132576.db2.gz WDIVLDQRCRDEMN-UHFFFAOYSA-N 0 3 339.417 2.149 20 5 EEBDHN CCc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267134799 256031076 /nfs/dbraw/zinc/03/10/76/256031076.db2.gz SHMYGEFCHJUBQM-MRXNPFEDSA-N 0 3 337.445 2.324 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000267214622 256038388 /nfs/dbraw/zinc/03/83/88/256038388.db2.gz HDHMWRYFYHJIDU-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N(C)C ZINC000271178772 256216337 /nfs/dbraw/zinc/21/63/37/256216337.db2.gz UHLCOFHFXYMFRI-SWLSCSKDSA-N 0 3 349.412 2.459 20 5 EEBDHN COC(=O)CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000078728197 292193293 /nfs/dbraw/zinc/19/32/93/292193293.db2.gz IOBZSXWJDZLAPS-INIZCTEOSA-N 0 3 336.388 2.181 20 5 EEBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080791899 159145812 /nfs/dbraw/zinc/14/58/12/159145812.db2.gz FPYWXYVODGDHKA-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080791899 159145814 /nfs/dbraw/zinc/14/58/14/159145814.db2.gz FPYWXYVODGDHKA-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000083026931 159160053 /nfs/dbraw/zinc/16/00/53/159160053.db2.gz WKQOUSVZYQECEU-ZIAGYGMSSA-N 0 3 335.404 2.214 20 5 EEBDHN Cc1cc(NCC2=CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342775762 161089796 /nfs/dbraw/zinc/08/97/96/161089796.db2.gz AHIOVXNRRPUVDB-UHFFFAOYSA-N 0 3 339.399 2.456 20 5 EEBDHN CN(CC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000344700174 161237423 /nfs/dbraw/zinc/23/74/23/161237423.db2.gz HCOWEAFHLCOCBL-MRXNPFEDSA-N 0 3 348.447 2.268 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000345371993 161296272 /nfs/dbraw/zinc/29/62/72/161296272.db2.gz CRDKLHSRISXKJK-UKRRQHHQSA-N 0 3 334.420 2.261 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345957862 161345288 /nfs/dbraw/zinc/34/52/88/161345288.db2.gz VXALENRHRQUGIR-ZFWWWQNUSA-N 0 3 334.420 2.261 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000352660424 162232481 /nfs/dbraw/zinc/23/24/81/162232481.db2.gz RUFKJOKSWFFRET-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](n3ncc4ccccc43)C2)n1 ZINC000367983516 166031359 /nfs/dbraw/zinc/03/13/59/166031359.db2.gz POHSYFRGYKGHML-AWEZNQCLSA-N 0 3 326.360 2.088 20 5 EEBDHN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369672329 166310607 /nfs/dbraw/zinc/31/06/07/166310607.db2.gz ZDVNSDLZDADRKD-KBPBESRZSA-N 0 3 349.435 2.218 20 5 EEBDHN COc1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272702238 269011448 /nfs/dbraw/zinc/01/14/48/269011448.db2.gz FWHLRFBQOPZRIZ-GFCCVEGCSA-N 0 3 348.403 2.053 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1N1CCN(CC3CCOCC3)CC1)CCN2 ZINC000278360162 269226070 /nfs/dbraw/zinc/22/60/70/269226070.db2.gz KEPCRFOZCXYXFU-UHFFFAOYSA-N 0 3 346.431 2.111 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N(C)C1CC1 ZINC000279539210 269286495 /nfs/dbraw/zinc/28/64/95/269286495.db2.gz WQXPSWVXJLYADV-SNVBAGLBSA-N 0 3 338.383 2.012 20 5 EEBDHN CC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922530 269558173 /nfs/dbraw/zinc/55/81/73/269558173.db2.gz CGQBVRPOYGYRSL-DOMZBBRYSA-N 0 3 326.418 2.460 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000277396961 274288563 /nfs/dbraw/zinc/28/85/63/274288563.db2.gz JODTZQXMARISPP-MRXNPFEDSA-N 0 3 346.431 2.453 20 5 EEBDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808845 274854192 /nfs/dbraw/zinc/85/41/92/274854192.db2.gz CITNYVGJKOYIFP-BBRMVZONSA-N 0 3 327.388 2.477 20 5 EEBDHN O=C1CCCN1C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000361526676 275017311 /nfs/dbraw/zinc/01/73/11/275017311.db2.gz SQIIDTVFUWPTQE-INIZCTEOSA-N 0 3 347.415 2.451 20 5 EEBDHN Cc1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)nc1[N+](=O)[O-] ZINC000289390056 275113080 /nfs/dbraw/zinc/11/30/80/275113080.db2.gz MJAKAQHETHQIGE-MRXNPFEDSA-N 0 3 330.388 2.391 20 5 EEBDHN COc1cc(CNC[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289419590 275114872 /nfs/dbraw/zinc/11/48/72/275114872.db2.gz IWWHTNLPYQHUOI-GFCCVEGCSA-N 0 3 346.330 2.108 20 5 EEBDHN CC(C)c1ccc([C@H](N)CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000236763740 275748377 /nfs/dbraw/zinc/74/83/77/275748377.db2.gz KBDQNWLFEHRLLH-MRXNPFEDSA-N 0 3 345.403 2.121 20 5 EEBDHN CN(C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000416294770 276766005 /nfs/dbraw/zinc/76/60/05/276766005.db2.gz YYLTYYGYFVAGOB-UHFFFAOYSA-N 0 3 346.431 2.022 20 5 EEBDHN CC(C)(NC[C@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293151717 293138942 /nfs/dbraw/zinc/13/89/42/293138942.db2.gz BRTTXNYALYSVPK-JTQLQIEISA-N 0 3 336.310 2.359 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000297523155 294269036 /nfs/dbraw/zinc/26/90/36/294269036.db2.gz BKWDGZHYIQHDES-GXFFZTMASA-N 0 3 339.367 2.155 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000422030348 314172679 /nfs/dbraw/zinc/17/26/79/314172679.db2.gz APBXAPPPXZOQDW-AWEZNQCLSA-N 0 3 343.387 2.151 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425066899 314328443 /nfs/dbraw/zinc/32/84/43/314328443.db2.gz QFPVNEHDAXRHJM-QMCVQRASSA-N 0 3 329.400 2.251 20 5 EEBDHN Cc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425273352 314370895 /nfs/dbraw/zinc/37/08/95/314370895.db2.gz INRPLGIPFITCAT-JKSUJKDBSA-N 0 3 341.415 2.347 20 5 EEBDHN CC(C)n1cc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574338 318132836 /nfs/dbraw/zinc/13/28/36/318132836.db2.gz NGAQUCPNOOVJRB-BBRMVZONSA-N 0 3 348.403 2.463 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000562987299 318953148 /nfs/dbraw/zinc/95/31/48/318953148.db2.gz GCLWKGJBIJRSPA-INIZCTEOSA-N 0 3 334.347 2.436 20 5 EEBDHN Cc1cc(C)c(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000562999735 318955990 /nfs/dbraw/zinc/95/59/90/318955990.db2.gz DOXOLCPFBAWVHF-INIZCTEOSA-N 0 3 331.372 2.136 20 5 EEBDHN N[C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000564833175 319115991 /nfs/dbraw/zinc/11/59/91/319115991.db2.gz LEULWGYELYMJNU-INIZCTEOSA-N 0 3 327.384 2.214 20 5 EEBDHN CC[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000576230375 320153074 /nfs/dbraw/zinc/15/30/74/320153074.db2.gz FMNNQWCJABZCDY-ZDUSSCGKSA-N 0 3 343.387 2.151 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000491347816 448000717 /nfs/dbraw/zinc/00/07/17/448000717.db2.gz DOUHIXBFFOFKMT-BQYQJAHWSA-N 0 3 329.360 2.005 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085394361 462543737 /nfs/dbraw/zinc/54/37/37/462543737.db2.gz DHBOUYMBRPSQQU-BBRMVZONSA-N 0 3 334.420 2.119 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341962894 465277888 /nfs/dbraw/zinc/27/78/88/465277888.db2.gz VJUNSOMTIRALNT-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN COCCCN1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578933735 468279868 /nfs/dbraw/zinc/27/98/68/468279868.db2.gz WZHJVTWRMIRPLC-CQSZACIVSA-N 0 3 349.431 2.315 20 5 EEBDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127537795 462562764 /nfs/dbraw/zinc/56/27/64/462562764.db2.gz NCVVFRRLJXSEFK-BBRMVZONSA-N 0 3 331.372 2.423 20 5 EEBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C ZINC000114377926 462641597 /nfs/dbraw/zinc/64/15/97/462641597.db2.gz ASIZXQDHOVPIEX-AWEZNQCLSA-N 0 3 338.364 2.209 20 5 EEBDHN Cc1nc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645239 462703521 /nfs/dbraw/zinc/70/35/21/462703521.db2.gz MBSPYIHKLPQORN-HZPDHXFCSA-N 0 3 342.399 2.346 20 5 EEBDHN Cc1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1C ZINC000075766192 462758046 /nfs/dbraw/zinc/75/80/46/462758046.db2.gz OPNSADPWQSSNDA-SFHVURJKSA-N 0 3 344.415 2.434 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000009917141 462809808 /nfs/dbraw/zinc/80/98/08/462809808.db2.gz QDJAYJLZEPNBHX-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157066237 463095364 /nfs/dbraw/zinc/09/53/64/463095364.db2.gz HBOPLMMANKZYHT-KGLIPLIRSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000032731257 463390765 /nfs/dbraw/zinc/39/07/65/463390765.db2.gz QGZPIXDSIWGBSZ-KBPBESRZSA-N 0 3 335.404 2.353 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755779 463421570 /nfs/dbraw/zinc/42/15/70/463421570.db2.gz SSWZDNNYQAHNCT-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177664281 463760289 /nfs/dbraw/zinc/76/02/89/463760289.db2.gz OGFNLXUMNWTRNB-YPMHNXCESA-N 0 3 348.403 2.028 20 5 EEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276912961 463804761 /nfs/dbraw/zinc/80/47/61/463804761.db2.gz FZFUABNUTADLSY-HOCLYGCPSA-N 0 3 333.388 2.031 20 5 EEBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000261773820 463855038 /nfs/dbraw/zinc/85/50/38/463855038.db2.gz OYXFNXAJNLKGDW-LSDHHAIUSA-N 0 3 341.367 2.170 20 5 EEBDHN C[C@@H]1NCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262725301 464039863 /nfs/dbraw/zinc/03/98/63/464039863.db2.gz GYNIOFBXBSCAPF-STQMWFEESA-N 0 3 332.404 2.017 20 5 EEBDHN CCCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645946 464045848 /nfs/dbraw/zinc/04/58/48/464045848.db2.gz KZNIISJAZHWMSP-RDJZCZTQSA-N 0 3 349.431 2.257 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000270171237 464207878 /nfs/dbraw/zinc/20/78/78/464207878.db2.gz AHAARMBZIALRQI-AWEZNQCLSA-N 0 3 340.387 2.306 20 5 EEBDHN CSCC[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237301215 464300764 /nfs/dbraw/zinc/30/07/64/464300764.db2.gz JWBVNUXHDNKGAF-LBPRGKRZSA-N 0 3 331.825 2.287 20 5 EEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000271783423 464384113 /nfs/dbraw/zinc/38/41/13/464384113.db2.gz VVMMTBAABZIMEF-GFCCVEGCSA-N 0 3 349.412 2.136 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264636472 464403575 /nfs/dbraw/zinc/40/35/75/464403575.db2.gz VAZOXJCTQIMBCE-QGZVFWFLSA-N 0 3 346.431 2.407 20 5 EEBDHN Cc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000189127385 464438717 /nfs/dbraw/zinc/43/87/17/464438717.db2.gz BPJPKDWDMDLXSK-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN CN(C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCC1 ZINC000181877282 464534555 /nfs/dbraw/zinc/53/45/55/464534555.db2.gz XVUIKWUUOWPHNQ-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386333 464545295 /nfs/dbraw/zinc/54/52/95/464545295.db2.gz WNTJDKDIKICKHK-XLWVJDPXSA-N 0 3 345.399 2.312 20 5 EEBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775803 464692564 /nfs/dbraw/zinc/69/25/64/464692564.db2.gz DRIWNEWMMZZDCY-RDJZCZTQSA-N 0 3 349.431 2.159 20 5 EEBDHN C[C@@H](O)CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295119099 464711703 /nfs/dbraw/zinc/71/17/03/464711703.db2.gz WNLNCWMFQWKYPB-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)C3CCCCC3)C2)nc1 ZINC000190878475 464737886 /nfs/dbraw/zinc/73/78/86/464737886.db2.gz MQPIDYZANFTPCS-ZBFHGGJFSA-N 0 3 334.420 2.417 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934593 464740399 /nfs/dbraw/zinc/74/03/99/464740399.db2.gz FQFUPVAQKJTCPF-CZUORRHYSA-N 0 3 344.415 2.348 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000282548459 464860770 /nfs/dbraw/zinc/86/07/70/464860770.db2.gz SELHSHVBFAPKRS-HNNXBMFYSA-N 0 3 337.395 2.278 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339765999 465498715 /nfs/dbraw/zinc/49/87/15/465498715.db2.gz ZKPPJVHMYDLGAJ-SJORKVTESA-N 0 3 336.388 2.013 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000295903861 465000381 /nfs/dbraw/zinc/00/03/81/465000381.db2.gz GTRJNTHKIWUVRL-DLBZAZTESA-N 0 3 342.399 2.379 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000339726251 465470598 /nfs/dbraw/zinc/47/05/98/465470598.db2.gz UCERNFLHJASQCO-INIZCTEOSA-N 0 3 335.404 2.228 20 5 EEBDHN Cc1cc(N2C[C@@H](O)[C@H](N(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954149 465509440 /nfs/dbraw/zinc/50/94/40/465509440.db2.gz JTOHWOIPXOPIKH-CHWSQXEVSA-N 0 3 333.310 2.033 20 5 EEBDHN O=C1c2ccccc2C(=O)N1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000353044078 465599331 /nfs/dbraw/zinc/59/93/31/465599331.db2.gz DHKUFMXDJLMIKE-UHFFFAOYSA-N 0 3 339.351 2.371 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000338056220 465787030 /nfs/dbraw/zinc/78/70/30/465787030.db2.gz GKDSBOLMLDBLDY-ZFWWWQNUSA-N 0 3 346.431 2.404 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000348953142 465888733 /nfs/dbraw/zinc/88/87/33/465888733.db2.gz XWLJPEWKKTVWEQ-HNNXBMFYSA-N 0 3 333.388 2.085 20 5 EEBDHN Cn1cc(-c2ncc(CNCCc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000366835931 465963100 /nfs/dbraw/zinc/96/31/00/465963100.db2.gz CDYIQSBVTNBBCC-UHFFFAOYSA-N 0 3 338.371 2.118 20 5 EEBDHN Cc1cccc(C(=O)N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000353806589 466165070 /nfs/dbraw/zinc/16/50/70/466165070.db2.gz XXBDALJWAXVSBI-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN CN(C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000353840365 466188189 /nfs/dbraw/zinc/18/81/89/466188189.db2.gz AWSQYFYCJLOTSP-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331727296 466221394 /nfs/dbraw/zinc/22/13/94/466221394.db2.gz NXXOQFJWFFPRNU-PBHICJAKSA-N 0 3 345.403 2.083 20 5 EEBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000349785899 466241014 /nfs/dbraw/zinc/24/10/14/466241014.db2.gz WASHIVOCGCHIKP-ZDUSSCGKSA-N 0 3 343.449 2.219 20 5 EEBDHN C[C@H]1CC[C@H](N(CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940771 466316694 /nfs/dbraw/zinc/31/66/94/466316694.db2.gz LWYOFLABSHINRH-WFASDCNBSA-N 0 3 336.388 2.444 20 5 EEBDHN CN1CC[C@](O)(CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000358060513 466422343 /nfs/dbraw/zinc/42/23/43/466422343.db2.gz UEHCYHYVUQWNQX-FQEVSTJZSA-N 0 3 335.407 2.184 20 5 EEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591685960 468503311 /nfs/dbraw/zinc/50/33/11/468503311.db2.gz DQYYLWTZSWSLPR-UWVGGRQHSA-N 0 3 327.381 2.137 20 5 EEBDHN Cc1cc(NC(=O)C23CCCN2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000415437311 466679426 /nfs/dbraw/zinc/67/94/26/466679426.db2.gz BVJCOKDGMUXQPB-UHFFFAOYSA-N 0 3 340.383 2.440 20 5 EEBDHN Cc1c(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cccc1[N+](=O)[O-] ZINC000373226238 466734042 /nfs/dbraw/zinc/73/40/42/466734042.db2.gz CEMFEMKFRKJGPO-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN N[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719270 466812556 /nfs/dbraw/zinc/81/25/56/466812556.db2.gz FAYWQXJVNLXXHS-ZDUSSCGKSA-N 0 3 331.376 2.707 20 5 EEBDHN CCOC(=O)c1ccnc(NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450947765 467213337 /nfs/dbraw/zinc/21/33/37/467213337.db2.gz CKYAPJQSOZDDHG-UHFFFAOYSA-N 0 3 336.392 2.453 20 5 EEBDHN CC(COC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496649161 467685661 /nfs/dbraw/zinc/68/56/61/467685661.db2.gz JRMLFJDOOUFPDE-XHDPSFHLSA-N 0 3 330.381 2.232 20 5 EEBDHN CNc1ccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517600596 468090694 /nfs/dbraw/zinc/09/06/94/468090694.db2.gz HCQSPRFNZRQLCO-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN CC1(C)CNCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592473442 468705634 /nfs/dbraw/zinc/70/56/34/468705634.db2.gz KTIYXZMWHRIVIF-UHFFFAOYSA-N 0 3 346.431 2.022 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN([C@@H]2CCOC2)CC1 ZINC000594993310 468739973 /nfs/dbraw/zinc/73/99/73/468739973.db2.gz NTBBZSJXBHAZTA-QGZVFWFLSA-N 0 3 349.431 2.336 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCOC(C)(C)C1 ZINC000595009175 468743037 /nfs/dbraw/zinc/74/30/37/468743037.db2.gz ASBIDVDYUUPFBJ-ZDUSSCGKSA-N 0 3 337.420 2.365 20 5 EEBDHN C[C@@H](Cn1cncn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595052462 468749825 /nfs/dbraw/zinc/74/98/25/468749825.db2.gz XJOSSNVAQHHQLX-VIFPVBQESA-N 0 3 329.282 2.383 20 5 EEBDHN CC(C)O[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053205 468852023 /nfs/dbraw/zinc/85/20/23/468852023.db2.gz QENYCUQXQWEFGN-WBVHZDCISA-N 0 3 338.404 2.224 20 5 EEBDHN NC(=O)[C@@H]1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602685328 469009312 /nfs/dbraw/zinc/00/93/12/469009312.db2.gz GDKGGKNXHYSZFT-RQJHMYQMSA-N 0 3 348.222 2.162 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000602889422 469147334 /nfs/dbraw/zinc/14/73/34/469147334.db2.gz RFJYIHKGGWVUFC-DLBZAZTESA-N 0 3 344.415 2.198 20 5 EEBDHN COc1ccc([C@@H](NCCn2c(C)ncc2[N+](=O)[O-])C2CC2)cn1 ZINC000602916963 469164007 /nfs/dbraw/zinc/16/40/07/469164007.db2.gz JITRAUVDKBRBEX-INIZCTEOSA-N 0 3 331.376 2.244 20 5 EEBDHN CCN(C[C@@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205146 469191365 /nfs/dbraw/zinc/19/13/65/469191365.db2.gz JPINBAUHFJIUMO-BBRMVZONSA-N 0 3 333.388 2.059 20 5 EEBDHN C[C@@H]1CN(CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589113793 469197290 /nfs/dbraw/zinc/19/72/90/469197290.db2.gz SRBIEHGEDSKSIV-TXEJJXNPSA-N 0 3 342.827 2.366 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC(F)(F)CC1 ZINC000599552027 469291620 /nfs/dbraw/zinc/29/16/20/469291620.db2.gz CUBTURWUJZNGCT-GFCCVEGCSA-N 0 3 330.331 2.456 20 5 EEBDHN COc1cc2c(cc1OC)[C@H](NCCn1cc([N+](=O)[O-])cn1)CC2 ZINC000619465660 469616193 /nfs/dbraw/zinc/61/61/93/469616193.db2.gz AZTFIJIPEMACMQ-CQSZACIVSA-N 0 3 332.360 2.086 20 5 EEBDHN COC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619717210 469668974 /nfs/dbraw/zinc/66/89/74/469668974.db2.gz JYFUCEZVNHMLON-ZDUSSCGKSA-N 0 3 349.387 2.341 20 5 EEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](N2CCCC2)C1 ZINC000609346098 469921587 /nfs/dbraw/zinc/92/15/87/469921587.db2.gz LYXOXGSAPDLBRA-LBPRGKRZSA-N 0 3 347.371 2.024 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CCCC3)C2)n1 ZINC000587972308 485591529 /nfs/dbraw/zinc/59/15/29/485591529.db2.gz KRAYUFZTIWVEKQ-LLVKDONJSA-N 0 3 334.376 2.205 20 5 EEBDHN CCC[C@H](NCCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178671794 528217216 /nfs/dbraw/zinc/21/72/16/528217216.db2.gz DFIAMMCYXHTTEZ-KRWDZBQOSA-N 0 3 348.447 2.190 20 5 EEBDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682788 528239653 /nfs/dbraw/zinc/23/96/53/528239653.db2.gz VNHMHJRPDLJEKI-CZUORRHYSA-N 0 3 348.403 2.290 20 5 EEBDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425489001 535232848 /nfs/dbraw/zinc/23/28/48/535232848.db2.gz XUTISJRVAIUOPD-MRXNPFEDSA-N 0 3 334.420 2.195 20 5 EEBDHN COc1ccc([C@@H](CO)CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000459767796 536887397 /nfs/dbraw/zinc/88/73/97/536887397.db2.gz YCAROQLITCIBRP-OAHLLOKOSA-N 0 3 346.383 2.478 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581047 577463108 /nfs/dbraw/zinc/46/31/08/577463108.db2.gz CZRPIZMVRCZLLY-PBHICJAKSA-N 0 3 349.431 2.112 20 5 EEBDHN CO[C@@H](CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009584 577470907 /nfs/dbraw/zinc/47/09/07/577470907.db2.gz JAJWCPZJVHAGMB-SKDRFNHKSA-N 0 3 349.309 2.479 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000761130250 577677598 /nfs/dbraw/zinc/67/75/98/577677598.db2.gz QIJHUTPYRQPQAQ-LBPRGKRZSA-N 0 3 330.388 2.219 20 5 EEBDHN C[S@@](=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341980 577804767 /nfs/dbraw/zinc/80/47/67/577804767.db2.gz OSJNEWAQEGFJSM-QMHKHESXSA-N 0 3 334.397 2.155 20 5 EEBDHN CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021057207 675700788 /nfs/dbraw/zinc/70/07/88/675700788.db2.gz LAXOWHZQLIOPBZ-SHTZXODSSA-N 0 3 342.399 2.467 20 5 EEBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000893047254 683644873 /nfs/dbraw/zinc/64/48/73/683644873.db2.gz LAZJEURYNYPJKG-NOLJZWGESA-N 0 3 334.372 2.113 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncsc1C1CC1 ZINC001133776722 1199034943 /nfs/dbraw/zinc/03/49/43/1199034943.db2.gz JMQYIGHPXIXKFR-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000877346610 1199910358 /nfs/dbraw/zinc/91/03/58/1199910358.db2.gz SMSLUSPKNIAZCT-OAHLLOKOSA-N 0 3 325.368 2.348 20 5 EEBDHN Cc1cc(N2CCC(NC(=O)CN(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095418365 1205721868 /nfs/dbraw/zinc/72/18/68/1205721868.db2.gz HAQAIBBCQWYQMZ-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN CC1CCN(CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119453734 1229523291 /nfs/dbraw/zinc/52/32/91/1229523291.db2.gz QNZYRKHFAOQVSS-UHFFFAOYSA-N 0 3 347.462 2.057 20 5 EEBDHN COCCN(CCN(C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900588154 1234521887 /nfs/dbraw/zinc/52/18/87/1234521887.db2.gz VTDVWAMNTYQISH-UHFFFAOYSA-N 0 3 347.774 2.038 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097038301 1243605301 /nfs/dbraw/zinc/60/53/01/1243605301.db2.gz VRNCIIYRVRIRGT-JOCQHMNTSA-N 0 3 338.383 2.133 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097030372 1243637538 /nfs/dbraw/zinc/63/75/38/1243637538.db2.gz ZAFCBMMKEVASQP-HDJSIYSDSA-N 0 3 334.420 2.304 20 5 EEBDHN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626971 1278154281 /nfs/dbraw/zinc/15/42/81/1278154281.db2.gz PQZRCKMKJIBZAQ-IXBGWNDUSA-N 0 3 329.356 2.322 20 5 EEBDHN Nc1ccc2n(C(=O)[C@@H]3CCNC[C@@H]3F)c3ccccc3cc-2c1=O ZINC001219256721 1297965884 /nfs/dbraw/zinc/96/58/84/1297965884.db2.gz XKHDDQROWIGFSC-OCCSQVGLSA-N 0 3 339.370 2.276 20 5 EEBDHN CCN1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448056 1301832348 /nfs/dbraw/zinc/83/23/48/1301832348.db2.gz AARKPDYRNIBFCO-CQSZACIVSA-N 0 3 326.352 2.004 20 5 EEBDHN CCOCCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001234319763 1304866597 /nfs/dbraw/zinc/86/65/97/1304866597.db2.gz WURMYFTUBRNKNS-UHFFFAOYSA-N 0 3 337.420 2.350 20 5 EEBDHN N[C@H](Cc1nc(-c2cc(F)ccn2)no1)c1ccccc1[N+](=O)[O-] ZINC001249343309 1317056871 /nfs/dbraw/zinc/05/68/71/1317056871.db2.gz ZNYBLCHVWYFHOB-LLVKDONJSA-N 0 3 329.291 2.421 20 5 EEBDHN Cc1ncsc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155009610 1317418644 /nfs/dbraw/zinc/41/86/44/1317418644.db2.gz HXSFEKIEGUPNDX-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC001155463536 1317607633 /nfs/dbraw/zinc/60/76/33/1317607633.db2.gz XFZXHXRMWYLIHC-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN COC(=O)CC1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479160 1318084804 /nfs/dbraw/zinc/08/48/04/1318084804.db2.gz QNXYBHOHVMMAOI-UHFFFAOYSA-N 0 3 333.388 2.059 20 5 EEBDHN Cc1ccnc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612152 1318145101 /nfs/dbraw/zinc/14/51/01/1318145101.db2.gz VKNKWIHBVJKAJB-IAGOWNOFSA-N 0 3 340.383 2.314 20 5 EEBDHN C[C@@H](N)c1nc2ccccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162757854 1320951007 /nfs/dbraw/zinc/95/10/07/1320951007.db2.gz DNCPAKZIMWYXSK-MRVPVSSYSA-N 0 3 333.735 2.240 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001163274239 1321083808 /nfs/dbraw/zinc/08/38/08/1321083808.db2.gz HKXCNIHUNOPNKB-LBPRGKRZSA-N 0 3 334.763 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(-n3ncc4c3CCNC4)c2c1 ZINC001165219498 1321475914 /nfs/dbraw/zinc/47/59/14/1321475914.db2.gz TWROEFBTNVDNLC-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN CC[NH+](CC)CC[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309964716 1331649756 /nfs/dbraw/zinc/64/97/56/1331649756.db2.gz AKYUYRDLDTUNFD-JTQLQIEISA-N 0 3 349.478 2.363 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001337536715 1336712269 /nfs/dbraw/zinc/71/22/69/1336712269.db2.gz XARHRLDJPXVGPW-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590733072 1349394471 /nfs/dbraw/zinc/39/44/71/1349394471.db2.gz URHHOKDQIBACMX-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590733072 1349394477 /nfs/dbraw/zinc/39/44/77/1349394477.db2.gz URHHOKDQIBACMX-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@@H+]1CCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590733072 1349394483 /nfs/dbraw/zinc/39/44/83/1349394483.db2.gz URHHOKDQIBACMX-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590733072 1349394490 /nfs/dbraw/zinc/39/44/90/1349394490.db2.gz URHHOKDQIBACMX-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CCc1nc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001135234052 1368061805 /nfs/dbraw/zinc/06/18/05/1368061805.db2.gz VLJYPWIWKOBCKA-UHFFFAOYSA-N 0 3 348.428 2.442 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cncc(Cl)c1 ZINC001135291211 1368078334 /nfs/dbraw/zinc/07/83/34/1368078334.db2.gz KPVSIFCWKWMLCY-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000846613612 790280737 /nfs/dbraw/zinc/28/07/37/790280737.db2.gz WBVMLIUCPTWLMI-UHFFFAOYSA-N 0 3 336.348 2.061 20 5 EEBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nc(CN)c2ccccc21 ZINC001167701750 761893984 /nfs/dbraw/zinc/89/39/84/761893984.db2.gz UQWQLKNCQSJGOM-UHFFFAOYSA-N 0 3 340.339 2.487 20 5 EEBDHN CCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001135948010 784846699 /nfs/dbraw/zinc/84/66/99/784846699.db2.gz ZPBBPOOMLPUSBO-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN Cc1oc(C2CC2)nc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001136040132 785035122 /nfs/dbraw/zinc/03/51/22/785035122.db2.gz LSTGXOQBQJOMNI-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN O=C1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979944 785348147 /nfs/dbraw/zinc/34/81/47/785348147.db2.gz XSXQVUOFLKGXOD-RHSMWYFYSA-N 0 3 341.367 2.023 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccnc(OC(F)F)c2)cc1 ZINC000819299079 785491457 /nfs/dbraw/zinc/49/14/57/785491457.db2.gz SFPULZZGFOCSBO-ZDUSSCGKSA-N 0 3 339.298 2.414 20 5 EEBDHN Cc1nn(C)cc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878643 789972546 /nfs/dbraw/zinc/97/25/46/789972546.db2.gz HXLXXMXBZHHJKN-ZBEGNZNMSA-N 0 3 335.335 2.360 20 5 EEBDHN COc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881166 789973694 /nfs/dbraw/zinc/97/36/94/789973694.db2.gz YTNGPQCSKLROCR-RNCFNFMXSA-N 0 3 335.291 2.188 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC2(C1)CCOCC2 ZINC001147726565 791912687 /nfs/dbraw/zinc/91/26/87/791912687.db2.gz ZHZPMZOQUJOHRV-UHFFFAOYSA-N 0 3 347.415 2.007 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3C[C@@H]4C[C@H]3CO4)CC2)c(F)c1 ZINC001173017472 797198990 /nfs/dbraw/zinc/19/89/90/797198990.db2.gz DLZHPSQMSNHIPG-STQMWFEESA-N 0 3 339.342 2.315 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)NCC(C)C)c1F ZINC001173190663 797282022 /nfs/dbraw/zinc/28/20/22/797282022.db2.gz GGRGJDQTHPVUKU-LLVKDONJSA-N 0 3 341.383 2.035 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2occc2[nH]1 ZINC001128491319 800786499 /nfs/dbraw/zinc/78/64/99/800786499.db2.gz XRQAXTBGVGZFJB-UHFFFAOYSA-N 0 3 328.328 2.189 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001086038764 801993162 /nfs/dbraw/zinc/99/31/62/801993162.db2.gz PFKFIDUMEGEYOT-BJHJDKERSA-N 0 3 346.412 2.350 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001086099568 802170293 /nfs/dbraw/zinc/17/02/93/802170293.db2.gz ULKNUTOSNJWNTE-BJHJDKERSA-N 0 3 346.412 2.350 20 5 EEBDHN CC(C)(C)OC(=O)N[C@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037537 803581315 /nfs/dbraw/zinc/58/13/15/803581315.db2.gz SBUBPQQEXPUUDO-RQJABVFESA-N 0 3 345.415 2.369 20 5 EEBDHN COC(=O)c1ccccc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039788 803582955 /nfs/dbraw/zinc/58/29/55/803582955.db2.gz TZGCDILIGKETFO-CABCVRRESA-N 0 3 347.415 2.041 20 5 EEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026559 803592410 /nfs/dbraw/zinc/59/24/10/803592410.db2.gz MMZXCRFFFBRXHI-KBPBESRZSA-N 0 3 330.388 2.395 20 5 EEBDHN COc1ccc(C[C@@H](C)NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC001170312999 809886468 /nfs/dbraw/zinc/88/64/68/809886468.db2.gz HYZWVHZNOSQBAE-GFCCVEGCSA-N 0 3 347.371 2.033 20 5 EEBDHN COCc1csc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001130879192 812148961 /nfs/dbraw/zinc/14/89/61/812148961.db2.gz JBZYLPHGGYDBLM-UHFFFAOYSA-N 0 3 349.412 2.322 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000186789547 529902864 /nfs/dbraw/zinc/90/28/64/529902864.db2.gz CNQUAGCLNAVAQY-UHFFFAOYSA-N 0 3 328.372 2.309 20 5 EEBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356654119 283255995 /nfs/dbraw/zinc/25/59/95/283255995.db2.gz WCVFGULDGDNYBH-UHFFFAOYSA-N 0 3 349.435 2.300 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C2CCOCC2)CC1 ZINC000129733684 223086043 /nfs/dbraw/zinc/08/60/43/223086043.db2.gz OERXHKODQQHWBO-HWKANZROSA-N 0 3 331.416 2.405 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1N(C)C ZINC000421790009 240024516 /nfs/dbraw/zinc/02/45/16/240024516.db2.gz CFQIPGJVJFMSFY-HUUCEWRRSA-N 0 3 337.445 2.329 20 5 EEBDHN Cn1cc(CN2C[C@H](O)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448363044 242396240 /nfs/dbraw/zinc/39/62/40/242396240.db2.gz AWUYCVSZUWZDQY-HNNXBMFYSA-N 0 3 330.388 2.198 20 5 EEBDHN Cn1nccc1[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585491 242568804 /nfs/dbraw/zinc/56/88/04/242568804.db2.gz FERCIIRHCYHWCB-MLGOLLRUSA-N 0 3 334.351 2.477 20 5 EEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246556426 243270941 /nfs/dbraw/zinc/27/09/41/243270941.db2.gz ZNRZDZOTXCSVMF-UPJWGTAASA-N 0 3 334.420 2.273 20 5 EEBDHN CNc1nc(C(=O)NC[C@@H]2CCCCN2CC(C)C)ccc1[N+](=O)[O-] ZINC000456004843 244128921 /nfs/dbraw/zinc/12/89/21/244128921.db2.gz XQQLTBNJFJKBII-ZDUSSCGKSA-N 0 3 349.435 2.272 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117746272 221085350 /nfs/dbraw/zinc/08/53/50/221085350.db2.gz MAWYDOGZKZLMOR-ZDUSSCGKSA-N 0 3 325.796 2.391 20 5 EEBDHN C[C@@H]1CN(CCN(C)CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304420 256009690 /nfs/dbraw/zinc/00/96/90/256009690.db2.gz QXTIDQBRONNSOL-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN COc1cccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195449294 256011990 /nfs/dbraw/zinc/01/19/90/256011990.db2.gz METACXBSIOXKGM-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117783655 221088496 /nfs/dbraw/zinc/08/84/96/221088496.db2.gz SEAGSOHXDCIDSH-ZDUSSCGKSA-N 0 3 325.796 2.343 20 5 EEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000267512062 256065399 /nfs/dbraw/zinc/06/53/99/256065399.db2.gz MCAIDWBWYKFAGY-JSGCOSHPSA-N 0 3 342.403 2.432 20 5 EEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000267249676 256041997 /nfs/dbraw/zinc/04/19/97/256041997.db2.gz UFINFKSHKGRACE-UHFFFAOYSA-N 0 3 346.431 2.363 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN1C1CC1 ZINC000268037393 256106898 /nfs/dbraw/zinc/10/68/98/256106898.db2.gz WYOYJUWGLZOYAC-PWSUYJOCSA-N 0 3 328.372 2.431 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268133061 256117487 /nfs/dbraw/zinc/11/74/87/256117487.db2.gz BBOKEXDSGIGJDR-AWEZNQCLSA-N 0 3 331.372 2.222 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273483867 256300264 /nfs/dbraw/zinc/30/02/64/256300264.db2.gz JJSDGLYYQIHTJO-LSDHHAIUSA-N 0 3 335.429 2.247 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000275829860 256383352 /nfs/dbraw/zinc/38/33/52/256383352.db2.gz YFRRCCUWJQYJIM-NSHDSACASA-N 0 3 334.376 2.375 20 5 EEBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000274476076 256375064 /nfs/dbraw/zinc/37/50/64/256375064.db2.gz NJJGHOZDYKJJPU-UHFFFAOYSA-N 0 3 329.198 2.283 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000364984080 292296092 /nfs/dbraw/zinc/29/60/92/292296092.db2.gz SKNLPZDXTPAKGE-BMGDILEWSA-N 0 3 333.432 2.495 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374322449 154049946 /nfs/dbraw/zinc/04/99/46/154049946.db2.gz DARUNCYQFVLKEX-WBVHZDCISA-N 0 3 332.448 2.053 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000089923886 159189277 /nfs/dbraw/zinc/18/92/77/159189277.db2.gz SRJOAUQSNRYYIE-UHFFFAOYSA-N 0 3 335.404 2.325 20 5 EEBDHN CN(CCN1CCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000103119374 159272237 /nfs/dbraw/zinc/27/22/37/159272237.db2.gz DHVIYEUMNIATOL-UHFFFAOYSA-N 0 3 334.420 2.341 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342275189 161052664 /nfs/dbraw/zinc/05/26/64/161052664.db2.gz ALSASYZBFXLIQB-RYUDHWBXSA-N 0 3 326.324 2.127 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000342408445 161063028 /nfs/dbraw/zinc/06/30/28/161063028.db2.gz CDALOOYBEDUYNM-JLJPHGGASA-N 0 3 335.379 2.471 20 5 EEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1 ZINC000344932551 161257242 /nfs/dbraw/zinc/25/72/42/161257242.db2.gz CWKFOPYIPPLEGM-UHFFFAOYSA-N 0 3 341.433 2.285 20 5 EEBDHN COc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)c(C)c1OC ZINC000347625109 161468363 /nfs/dbraw/zinc/46/83/63/161468363.db2.gz OBJRWTVJRZXKSO-LBPRGKRZSA-N 0 3 334.376 2.468 20 5 EEBDHN COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000355728680 163283435 /nfs/dbraw/zinc/28/34/35/163283435.db2.gz DSVMWGSXVOETLO-KBPBESRZSA-N 0 3 334.372 2.379 20 5 EEBDHN Cc1nc(N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000364946950 165329085 /nfs/dbraw/zinc/32/90/85/165329085.db2.gz UFNBHNZODMAEIR-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN CSc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272697292 269010533 /nfs/dbraw/zinc/01/05/33/269010533.db2.gz YBRDGMCFMBSBEL-RISCZKNCSA-N 0 3 335.429 2.483 20 5 EEBDHN CC(C)OCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805797 269055484 /nfs/dbraw/zinc/05/54/84/269055484.db2.gz GPLPMPAMYXDTAA-UHFFFAOYSA-N 0 3 347.419 2.408 20 5 EEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275473797 269119220 /nfs/dbraw/zinc/11/92/20/269119220.db2.gz PFDPIVYSMDAIRB-GFCCVEGCSA-N 0 3 325.384 2.011 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277635857 269166184 /nfs/dbraw/zinc/16/61/84/269166184.db2.gz XOZHCZITZWQEKU-HNNXBMFYSA-N 0 3 346.431 2.408 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277635722 269166268 /nfs/dbraw/zinc/16/62/68/269166268.db2.gz BSDVCUNBWIKBCB-INWMFGNUSA-N 0 3 330.388 2.097 20 5 EEBDHN Cc1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)nc1[N+](=O)[O-] ZINC000289390055 275113083 /nfs/dbraw/zinc/11/30/83/275113083.db2.gz MJAKAQHETHQIGE-INIZCTEOSA-N 0 3 330.388 2.391 20 5 EEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCCN1CCN(C)CC1 ZINC000289431321 275115518 /nfs/dbraw/zinc/11/55/18/275115518.db2.gz KTADBOZNJZPYAQ-VMPITWQZSA-N 0 3 332.448 2.177 20 5 EEBDHN Cc1cccc(NC[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000365843982 281245822 /nfs/dbraw/zinc/24/58/22/281245822.db2.gz SBOBUBRLDYLKFL-CQSZACIVSA-N 0 3 330.392 2.071 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913024 293076375 /nfs/dbraw/zinc/07/63/75/293076375.db2.gz LAAKNPFPQGVCDU-PWSUYJOCSA-N 0 3 336.310 2.494 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234345 293158297 /nfs/dbraw/zinc/15/82/97/293158297.db2.gz SJBYXHMKVKBOAC-YOEHRIQHSA-N 0 3 338.404 2.081 20 5 EEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295951515 293855384 /nfs/dbraw/zinc/85/53/84/293855384.db2.gz HDMBIHTXJYQSAQ-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069287 293884747 /nfs/dbraw/zinc/88/47/47/293884747.db2.gz PKHNYTRHYKCLFF-MZPVMMEZSA-N 0 3 347.415 2.133 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296727598 294051581 /nfs/dbraw/zinc/05/15/81/294051581.db2.gz GSJVECCSJDXUMH-SUMWQHHRSA-N 0 3 332.404 2.393 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000299499559 294758278 /nfs/dbraw/zinc/75/82/78/294758278.db2.gz CIHKYBFLXUGKID-AWEZNQCLSA-N 0 3 343.387 2.193 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c2ccncc21 ZINC000301524004 294865162 /nfs/dbraw/zinc/86/51/62/294865162.db2.gz FFSCIGCYKTUWPP-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C1(OC)CCC1 ZINC000412021353 312599480 /nfs/dbraw/zinc/59/94/80/312599480.db2.gz MFFOMQLKNSBKKY-LLVKDONJSA-N 0 3 337.376 2.089 20 5 EEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451846862 315455999 /nfs/dbraw/zinc/45/59/99/315455999.db2.gz RTFLVOGHJBUMFZ-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN NC(=O)[C@@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542726788 318137935 /nfs/dbraw/zinc/13/79/35/318137935.db2.gz AYASTLPSAAFQNO-OAHLLOKOSA-N 0 3 347.802 2.477 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000542882276 318146495 /nfs/dbraw/zinc/14/64/95/318146495.db2.gz WLPXXGRVLHYAPB-ZDUSSCGKSA-N 0 3 344.293 2.133 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOC1CCCCC1 ZINC000563528981 319019806 /nfs/dbraw/zinc/01/98/06/319019806.db2.gz RFRIHFGFNABZGD-CQSZACIVSA-N 0 3 338.404 2.273 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000574574208 320037840 /nfs/dbraw/zinc/03/78/40/320037840.db2.gz BPFCWZNGPSGYGL-SNVBAGLBSA-N 0 3 338.383 2.118 20 5 EEBDHN N[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000580542265 324083638 /nfs/dbraw/zinc/08/36/38/324083638.db2.gz KUDXCVWNOWJXJE-CQSZACIVSA-N 0 3 325.368 2.444 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577814 465101782 /nfs/dbraw/zinc/10/17/82/465101782.db2.gz GSQKRAQHIGRFIZ-HOTGVXAUSA-N 0 3 343.431 2.386 20 5 EEBDHN COc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497798 465187037 /nfs/dbraw/zinc/18/70/37/465187037.db2.gz YBGCZYFYKKSJSZ-UONOGXRCSA-N 0 3 331.376 2.468 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000520826285 468274406 /nfs/dbraw/zinc/27/44/06/468274406.db2.gz KAVICUKZNSUJTL-ZDUSSCGKSA-N 0 3 330.388 2.008 20 5 EEBDHN CCO[C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000578962367 468284458 /nfs/dbraw/zinc/28/44/58/468284458.db2.gz MVMKUWQFGJNOLF-RRFJBIMHSA-N 0 3 326.418 2.472 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000073988198 462540986 /nfs/dbraw/zinc/54/09/86/462540986.db2.gz NHKODVJILHZINK-LSDHHAIUSA-N 0 3 344.415 2.478 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000127511861 462559956 /nfs/dbraw/zinc/55/99/56/462559956.db2.gz AMCWDLUEFUJOEW-AWEZNQCLSA-N 0 3 330.388 2.171 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000590688610 468306866 /nfs/dbraw/zinc/30/68/66/468306866.db2.gz WGEYUBJQIQCWAZ-IRXDYDNUSA-N 0 3 342.399 2.178 20 5 EEBDHN CC(C)C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000114140195 462628026 /nfs/dbraw/zinc/62/80/26/462628026.db2.gz WDQFGZIGUBIMCC-LLVKDONJSA-N 0 3 326.372 2.022 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590752573 468326166 /nfs/dbraw/zinc/32/61/66/468326166.db2.gz NYACACWUZKZTEP-BZPMIXESSA-N 0 3 349.387 2.162 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCC1 ZINC000066945749 462952202 /nfs/dbraw/zinc/95/22/02/462952202.db2.gz DEUGYFGBMLLXML-AWEZNQCLSA-N 0 3 333.388 2.060 20 5 EEBDHN CCc1nn(C)c(NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000094131850 463059973 /nfs/dbraw/zinc/05/99/73/463059973.db2.gz WDNZMFZTBZGPBJ-AWEZNQCLSA-N 0 3 331.420 2.476 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000553245686 468356973 /nfs/dbraw/zinc/35/69/73/468356973.db2.gz GBCHMCHVWDKTJN-MRXNPFEDSA-N 0 3 335.404 2.466 20 5 EEBDHN COc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000125292786 463526306 /nfs/dbraw/zinc/52/63/06/463526306.db2.gz IGNQWLHVMKOKBE-KGLIPLIRSA-N 0 3 333.388 2.094 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000276829024 463771256 /nfs/dbraw/zinc/77/12/56/463771256.db2.gz OHGSLHVCVFKFMI-LBPRGKRZSA-N 0 3 333.388 2.292 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000276836567 463775085 /nfs/dbraw/zinc/77/50/85/463775085.db2.gz PFOMPNOBENOCMK-DOMZBBRYSA-N 0 3 333.388 2.078 20 5 EEBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000185431260 463822281 /nfs/dbraw/zinc/82/22/81/463822281.db2.gz AQRYPXWFMPQPTO-NSHDSACASA-N 0 3 338.383 2.310 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447016 463888231 /nfs/dbraw/zinc/88/82/31/463888231.db2.gz KNQZLXANVLJILC-WDEREUQCSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000278870001 464003872 /nfs/dbraw/zinc/00/38/72/464003872.db2.gz ODBNRWGAZMMRTM-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CN1CCN(C)[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957820 464015518 /nfs/dbraw/zinc/01/55/18/464015518.db2.gz BBSIMBKZIXSFIV-PBHICJAKSA-N 0 3 332.448 2.153 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042634 464168473 /nfs/dbraw/zinc/16/84/73/464168473.db2.gz SIUOQBSNLTWIEB-UAXWRAGISA-N 0 3 345.399 2.469 20 5 EEBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000271898593 464405320 /nfs/dbraw/zinc/40/53/20/464405320.db2.gz UYLFGQCWPODKFT-LSDHHAIUSA-N 0 3 333.388 2.471 20 5 EEBDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174703401 464439237 /nfs/dbraw/zinc/43/92/37/464439237.db2.gz IVMDIJCMKIQPEW-GWCFXTLKSA-N 0 3 340.330 2.123 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C2CC2)C1 ZINC000294357183 464476596 /nfs/dbraw/zinc/47/65/96/464476596.db2.gz BMZMGXSHAVPTGR-ZDUSSCGKSA-N 0 3 345.399 2.158 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N(C)C1CC1 ZINC000294508379 464520503 /nfs/dbraw/zinc/52/05/03/464520503.db2.gz HKMVGENWQXJRJY-NSHDSACASA-N 0 3 343.387 2.197 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000272371084 464580968 /nfs/dbraw/zinc/58/09/68/464580968.db2.gz RYQXKRVRWBFYMJ-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCN1CCC(O)CC1 ZINC000294752529 464594997 /nfs/dbraw/zinc/59/49/97/464594997.db2.gz DIJIPSYPLXWRLN-UHFFFAOYSA-N 0 3 348.230 2.448 20 5 EEBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775807 464692788 /nfs/dbraw/zinc/69/27/88/464692788.db2.gz DRIWNEWMMZZDCY-WBVHZDCISA-N 0 3 349.431 2.159 20 5 EEBDHN CN(C(=O)CN[C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282102169 464697401 /nfs/dbraw/zinc/69/74/01/464697401.db2.gz PHOSJILTGUOQGV-MRXNPFEDSA-N 0 3 347.415 2.497 20 5 EEBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(F)cc3)CCOCC2)n1 ZINC000176236442 464727292 /nfs/dbraw/zinc/72/72/92/464727292.db2.gz IBIGXFJKIQCQLF-UHFFFAOYSA-N 0 3 334.351 2.226 20 5 EEBDHN Cc1c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183346697 464851737 /nfs/dbraw/zinc/85/17/37/464851737.db2.gz JIVNRTLLMHRMAX-NSHDSACASA-N 0 3 331.376 2.316 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286348175 464886889 /nfs/dbraw/zinc/88/68/89/464886889.db2.gz GVURVVJDSPFRIC-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@@H](CO)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000276507141 464959895 /nfs/dbraw/zinc/95/98/95/464959895.db2.gz DIRPIHDQFUDRIL-ZDUSSCGKSA-N 0 3 347.415 2.109 20 5 EEBDHN Nc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000192775477 464995216 /nfs/dbraw/zinc/99/52/16/464995216.db2.gz OPNLLUZSQDKJHI-MRXNPFEDSA-N 0 3 342.399 2.008 20 5 EEBDHN CNC(=O)c1ccc(N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299101585 465604393 /nfs/dbraw/zinc/60/43/93/465604393.db2.gz RYLPUHVSRNHMDA-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc([N-]CC[NH+]3CCCCCC3)n2)cc1 ZINC000362733271 465983920 /nfs/dbraw/zinc/98/39/20/465983920.db2.gz BAFQGUFEPSHHHX-UHFFFAOYSA-N 0 3 331.376 2.933 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229214 466010516 /nfs/dbraw/zinc/01/05/16/466010516.db2.gz RROIBABDPILOCV-JJRVBVJISA-N 0 3 331.416 2.326 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CN(C)C ZINC000346229262 466010613 /nfs/dbraw/zinc/01/06/13/466010613.db2.gz SCXKHEZBCWLCFP-VHSXEESVSA-N 0 3 329.784 2.082 20 5 EEBDHN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000301916603 466061634 /nfs/dbraw/zinc/06/16/34/466061634.db2.gz ADGHAYJJLGJFBV-SECBINFHSA-N 0 3 349.478 2.448 20 5 EEBDHN O=C(CCN1CCC(n2cccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000361525302 466072454 /nfs/dbraw/zinc/07/24/54/466072454.db2.gz HZWSJDWCKNFQDT-UHFFFAOYSA-N 0 3 343.387 2.457 20 5 EEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000302461534 466143055 /nfs/dbraw/zinc/14/30/55/466143055.db2.gz ROMMZRSZJWKSAV-SFHVURJKSA-N 0 3 342.399 2.063 20 5 EEBDHN CN1CCCC[C@@H]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000340708340 466279620 /nfs/dbraw/zinc/27/96/20/466279620.db2.gz BBCYPHRKGNYFSO-CYBMUJFWSA-N 0 3 332.360 2.286 20 5 EEBDHN CCn1cc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353957034 466280699 /nfs/dbraw/zinc/28/06/99/466280699.db2.gz NLQLXGRYKINPPH-GFCCVEGCSA-N 0 3 331.376 2.318 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600202191 468494070 /nfs/dbraw/zinc/49/40/70/468494070.db2.gz BBMKRVLBXXWANE-MAMYYWIDSA-N 0 3 334.416 2.311 20 5 EEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362080233 466540163 /nfs/dbraw/zinc/54/01/63/466540163.db2.gz RJXKBXDMBGOKQG-MAUKXSAKSA-N 0 3 332.448 2.053 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312068 466554603 /nfs/dbraw/zinc/55/46/03/466554603.db2.gz PMUARBFIKFCLIT-HIFRSBDPSA-N 0 3 342.399 2.499 20 5 EEBDHN Nc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000363688046 466558996 /nfs/dbraw/zinc/55/89/96/466558996.db2.gz BTMKFDSCNKRQSL-LLVKDONJSA-N 0 3 336.367 2.063 20 5 EEBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000591678563 468501233 /nfs/dbraw/zinc/50/12/33/468501233.db2.gz YDRVZUXLADRROE-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591681351 468501864 /nfs/dbraw/zinc/50/18/64/468501864.db2.gz LBMBEMGATNNFDL-UHFFFAOYSA-N 0 3 344.396 2.366 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1C ZINC000413124913 467174426 /nfs/dbraw/zinc/17/44/26/467174426.db2.gz DTRPMUFVYKJCBR-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413143810 467178324 /nfs/dbraw/zinc/17/83/24/467178324.db2.gz MAPXOQJCZYAYRQ-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000414499698 467414716 /nfs/dbraw/zinc/41/47/16/467414716.db2.gz ZMGBETCSAREONR-HNNXBMFYSA-N 0 3 349.431 2.255 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457954393 467739234 /nfs/dbraw/zinc/73/92/34/467739234.db2.gz NVGPRWPZWCFRNP-MRXNPFEDSA-N 0 3 334.420 2.261 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000449994394 467758162 /nfs/dbraw/zinc/75/81/62/467758162.db2.gz HGHARYDFJIEVKJ-AAEUAGOBSA-N 0 3 343.387 2.197 20 5 EEBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCCN(C)C ZINC000458201508 467788017 /nfs/dbraw/zinc/78/80/17/467788017.db2.gz VBUJFFROMHYOMZ-UHFFFAOYSA-N 0 3 346.387 2.434 20 5 EEBDHN Cc1cc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000450790762 467908158 /nfs/dbraw/zinc/90/81/58/467908158.db2.gz HDFLXCRFQPEBJI-OKILXGFUSA-N 0 3 344.415 2.343 20 5 EEBDHN COC(=O)COc1ccc(CN(C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000530500098 467989260 /nfs/dbraw/zinc/98/92/60/467989260.db2.gz RVFQTDROHNDKRV-UHFFFAOYSA-N 0 3 340.376 2.003 20 5 EEBDHN CC(C)Oc1nc(NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000565842585 468138939 /nfs/dbraw/zinc/13/89/39/468138939.db2.gz HKDBBHXFBMAGCH-OAHLLOKOSA-N 0 3 340.449 2.626 20 5 EEBDHN N[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000582720157 468583846 /nfs/dbraw/zinc/58/38/46/468583846.db2.gz HSDSDKLRTJWKMH-QGZVFWFLSA-N 0 3 339.395 2.440 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594598714 468631866 /nfs/dbraw/zinc/63/18/66/468631866.db2.gz HQEZMEYAVPPOIY-HZPDHXFCSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700569 468643894 /nfs/dbraw/zinc/64/38/94/468643894.db2.gz NQJSBYJGLLQKMF-DOMZBBRYSA-N 0 3 333.388 2.109 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000559637753 468750629 /nfs/dbraw/zinc/75/06/29/468750629.db2.gz ZQWPJBICYRGOBM-WBVHZDCISA-N 0 3 343.383 2.219 20 5 EEBDHN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCCN(C)C ZINC000601409551 468862176 /nfs/dbraw/zinc/86/21/76/468862176.db2.gz ROPGOTZQWWKVMU-UHFFFAOYSA-N 0 3 329.422 2.093 20 5 EEBDHN CCN1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536927 468892365 /nfs/dbraw/zinc/89/23/65/468892365.db2.gz XTBIWLXNKDEAGF-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H](CC)CN2CCCC2)c1[N+](=O)[O-] ZINC000610575727 469006889 /nfs/dbraw/zinc/00/68/89/469006889.db2.gz FIXBCWCRPHQSGN-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN CC(C)CC1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000595833466 469031968 /nfs/dbraw/zinc/03/19/68/469031968.db2.gz KDZYOYYYXBOIJA-UHFFFAOYSA-N 0 3 335.360 2.430 20 5 EEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCNC2 ZINC000595919260 469084342 /nfs/dbraw/zinc/08/43/42/469084342.db2.gz BXOGRUQOYJNBTI-UHFFFAOYSA-N 0 3 346.412 2.144 20 5 EEBDHN Cc1ccncc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939752 469348336 /nfs/dbraw/zinc/34/83/36/469348336.db2.gz NORAGUHWHUCOKT-ZFWWWQNUSA-N 0 3 331.372 2.389 20 5 EEBDHN COc1ccc(CNC(=O)CNCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602533306 469352445 /nfs/dbraw/zinc/35/24/45/469352445.db2.gz WHUISWXIUKSFQR-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCCc4c[nH]nc43)CC2)cn1 ZINC000602573100 469367186 /nfs/dbraw/zinc/36/71/86/469367186.db2.gz YPNRYEVKGTYKTG-OAHLLOKOSA-N 0 3 342.403 2.349 20 5 EEBDHN C[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483570 469477821 /nfs/dbraw/zinc/47/78/21/469477821.db2.gz DECYWPXXBHGFMG-AAEUAGOBSA-N 0 3 335.379 2.438 20 5 EEBDHN O=[N+]([O-])c1ccc(CN(C[C@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264417 469562558 /nfs/dbraw/zinc/56/25/58/469562558.db2.gz DQCILIBJQMBQPJ-CQSZACIVSA-N 0 3 327.388 2.498 20 5 EEBDHN COC1CCC(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265219673 536731788 /nfs/dbraw/zinc/73/17/88/536731788.db2.gz NZYOMDPRNKXDHQ-UHFFFAOYSA-N 0 3 335.404 2.447 20 5 EEBDHN CCNC(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276473 577456408 /nfs/dbraw/zinc/45/64/08/577456408.db2.gz KBDNBZOMMTXEED-QGZVFWFLSA-N 0 3 343.383 2.168 20 5 EEBDHN CO[C@@H](CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004433 577470863 /nfs/dbraw/zinc/47/08/63/577470863.db2.gz ACDBGWGSDBMTDC-SKDRFNHKSA-N 0 3 349.309 2.479 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCSC3(CCOCC3)C2)cc1 ZINC000770685236 577601712 /nfs/dbraw/zinc/60/17/12/577601712.db2.gz NQNKZHNQXSIRCX-HNNXBMFYSA-N 0 3 338.429 2.226 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754209009 577802411 /nfs/dbraw/zinc/80/24/11/577802411.db2.gz IVPCVCDSQXGVIK-GFCCVEGCSA-N 0 3 327.768 2.201 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000749639756 577979377 /nfs/dbraw/zinc/97/93/77/577979377.db2.gz QNMOJYNXOALIJC-OAHLLOKOSA-N 0 3 330.340 2.189 20 5 EEBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000749691611 577980098 /nfs/dbraw/zinc/98/00/98/577980098.db2.gz QDWZIRSZWRHEMI-OAHLLOKOSA-N 0 3 347.327 2.335 20 5 EEBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247622 578190548 /nfs/dbraw/zinc/19/05/48/578190548.db2.gz GCSRLBLWIFVOSE-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247622 578190549 /nfs/dbraw/zinc/19/05/49/578190549.db2.gz GCSRLBLWIFVOSE-RYUDHWBXSA-N 0 3 345.407 2.450 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)ccn1 ZINC001022870106 678675713 /nfs/dbraw/zinc/67/57/13/678675713.db2.gz IGQDLLLRUOCSQT-IYBDPMFKSA-N 0 3 340.383 2.349 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000878188750 1200310215 /nfs/dbraw/zinc/31/02/15/1200310215.db2.gz NYQCORBYNVTOHB-KGLIPLIRSA-N 0 3 334.376 2.281 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000878188746 1200310719 /nfs/dbraw/zinc/31/07/19/1200310719.db2.gz NYQCORBYNVTOHB-KBPBESRZSA-N 0 3 334.376 2.281 20 5 EEBDHN CC(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104187 1201097102 /nfs/dbraw/zinc/09/71/02/1201097102.db2.gz XRCJPNWHXQCXJP-LURJTMIESA-N 0 3 333.094 2.179 20 5 EEBDHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813104648 1201097172 /nfs/dbraw/zinc/09/71/72/1201097172.db2.gz PMKPNIWDVNOGFD-GJZGRUSLSA-N 0 3 348.399 2.364 20 5 EEBDHN O=C(CN1C[C@@H]2CC=CC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879529067 1201125644 /nfs/dbraw/zinc/12/56/44/1201125644.db2.gz HXBRFBXSTMQTHO-GASCZTMLSA-N 0 3 327.384 2.382 20 5 EEBDHN CC(=O)c1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000866212897 1201467082 /nfs/dbraw/zinc/46/70/82/1201467082.db2.gz KNYNADKBXBBNMY-UHFFFAOYSA-N 0 3 346.431 2.014 20 5 EEBDHN Cc1ccc(N(C)CCCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001095574611 1205879168 /nfs/dbraw/zinc/87/91/68/1205879168.db2.gz FFDZSLNUXXLYIH-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN O=C(NCCN1CCCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777795361 1206487458 /nfs/dbraw/zinc/48/74/58/1206487458.db2.gz LHMVNYIQPATBPB-UHFFFAOYSA-N 0 3 349.416 2.205 20 5 EEBDHN Cc1sccc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134841469 1278045162 /nfs/dbraw/zinc/04/51/62/1278045162.db2.gz JQJCNNLIXRJOOJ-UHFFFAOYSA-N 0 3 333.413 2.413 20 5 EEBDHN O=c1cc(O[C@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218448671 1297668093 /nfs/dbraw/zinc/66/80/93/1297668093.db2.gz PCBDTGOEISATRF-LBPRGKRZSA-N 0 3 325.271 2.225 20 5 EEBDHN COCCN1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001226435640 1301411495 /nfs/dbraw/zinc/41/14/95/1301411495.db2.gz DIHIFONWBOYUQI-UHFFFAOYSA-N 0 3 332.360 2.028 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(Oc3nncc4n[nH]cc43)CC2)cc1 ZINC001230895658 1303530463 /nfs/dbraw/zinc/53/04/63/1303530463.db2.gz JFLNCMIWRPDZGF-UHFFFAOYSA-N 0 3 340.343 2.309 20 5 EEBDHN CN(CCN1CCN(C)CC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221674 1304042866 /nfs/dbraw/zinc/04/28/66/1304042866.db2.gz CMFAOSYALPTABV-UHFFFAOYSA-N 0 3 349.482 2.462 20 5 EEBDHN C[C@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000841856812 1315624767 /nfs/dbraw/zinc/62/47/67/1315624767.db2.gz BITAFLUOAYANTD-NXEZZACHSA-N 0 3 326.784 2.140 20 5 EEBDHN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CN1 ZINC000841857456 1315625221 /nfs/dbraw/zinc/62/52/21/1315625221.db2.gz ZKYDIMXBSPSBDM-NXEZZACHSA-N 0 3 326.784 2.140 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc([C@H]3CCCN3)no2)ccc1-n1ccnc1 ZINC000842642974 1315743125 /nfs/dbraw/zinc/74/31/25/1315743125.db2.gz WXXIVGKOKNLYDS-LLVKDONJSA-N 0 3 326.316 2.255 20 5 EEBDHN CC(COC(=O)c1c2ccc(Br)cc2nn1C)[N+](=O)[O-] ZINC000842801352 1315776127 /nfs/dbraw/zinc/77/61/27/1315776127.db2.gz HSRDVOJSOAALHB-ZETCQYMHSA-N 0 3 342.149 2.158 20 5 EEBDHN C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000843455535 1315918454 /nfs/dbraw/zinc/91/84/54/1315918454.db2.gz QQAUZRWNPFTQKM-BDAKNGLRSA-N 0 3 329.759 2.139 20 5 EEBDHN CN(Cc1ccncn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483739 1318084173 /nfs/dbraw/zinc/08/41/73/1318084173.db2.gz XHLFQKXJBJRNLW-UHFFFAOYSA-N 0 3 327.388 2.486 20 5 EEBDHN COCCOc1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549004 1318118322 /nfs/dbraw/zinc/11/83/22/1318118322.db2.gz PFJSELZPFUDVNX-CYBMUJFWSA-N 0 3 346.387 2.131 20 5 EEBDHN CC(C)Oc1nccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254587585 1318134308 /nfs/dbraw/zinc/13/43/08/1318134308.db2.gz QMFSNBPYVHDHRB-HNNXBMFYSA-N 0 3 328.372 2.429 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001254610143 1318144744 /nfs/dbraw/zinc/14/47/44/1318144744.db2.gz IMINULFOWBGNBM-SJORKVTESA-N 0 3 340.383 2.395 20 5 EEBDHN Cc1ccn(C)c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157089076 1318393544 /nfs/dbraw/zinc/39/35/44/1318393544.db2.gz URWKQVCAMQODGH-UHFFFAOYSA-N 0 3 336.417 2.213 20 5 EEBDHN Cc1ccncc1CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001160204407 1320098287 /nfs/dbraw/zinc/09/82/87/1320098287.db2.gz WXRDMVZPZAWMKN-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN Cc1noc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1C ZINC001160632879 1320217283 /nfs/dbraw/zinc/21/72/83/1320217283.db2.gz DIKNNJLPGRWLTB-UHFFFAOYSA-N 0 3 338.389 2.171 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(C2CC2)on1 ZINC001163492875 1321139732 /nfs/dbraw/zinc/13/97/32/1321139732.db2.gz WQIKQLBQOSAPEG-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN COCCCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163587362 1321163754 /nfs/dbraw/zinc/16/37/54/1321163754.db2.gz NUQSUBHYOVFJNH-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001307120075 1331510038 /nfs/dbraw/zinc/51/00/38/1331510038.db2.gz LUXDKJPHRNVBTP-AWEZNQCLSA-N 0 3 329.404 2.287 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(C)(C)C)CC1 ZINC001319404977 1332696258 /nfs/dbraw/zinc/69/62/58/1332696258.db2.gz ZXGPDBONOOAYFF-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CC[NH+](CC)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609222893 1351899432 /nfs/dbraw/zinc/89/94/32/1351899432.db2.gz GIWVEYONTWFTFJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC[NH+](CC)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609222893 1351899434 /nfs/dbraw/zinc/89/94/34/1351899434.db2.gz GIWVEYONTWFTFJ-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001338551024 1336875404 /nfs/dbraw/zinc/87/54/04/1336875404.db2.gz LXAJGPOUQNLJIT-ZIAGYGMSSA-N 0 3 331.372 2.470 20 5 EEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2CN1 ZINC001580493959 1344526494 /nfs/dbraw/zinc/52/64/94/1344526494.db2.gz ONMLLAQHIFCUHS-PYUISTEWSA-N 0 3 337.379 2.439 20 5 EEBDHN CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590731854 1349394406 /nfs/dbraw/zinc/39/44/06/1349394406.db2.gz AAAAMJUTENTADL-LBPRGKRZSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590731854 1349394413 /nfs/dbraw/zinc/39/44/13/1349394413.db2.gz AAAAMJUTENTADL-LBPRGKRZSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590731854 1349394420 /nfs/dbraw/zinc/39/44/20/1349394420.db2.gz AAAAMJUTENTADL-LBPRGKRZSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[N@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590731854 1349394428 /nfs/dbraw/zinc/39/44/28/1349394428.db2.gz AAAAMJUTENTADL-LBPRGKRZSA-N 0 3 345.407 2.227 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063336 1350844261 /nfs/dbraw/zinc/84/42/61/1350844261.db2.gz YDYQGLQHBFCQPN-DZGCQCFKSA-N 0 3 346.391 2.212 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063336 1350844263 /nfs/dbraw/zinc/84/42/63/1350844263.db2.gz YDYQGLQHBFCQPN-DZGCQCFKSA-N 0 3 346.391 2.212 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001607084439 1351410885 /nfs/dbraw/zinc/41/08/85/1351410885.db2.gz GFSBGCCXWWQGKF-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001607084439 1351410887 /nfs/dbraw/zinc/41/08/87/1351410887.db2.gz GFSBGCCXWWQGKF-GFCCVEGCSA-N 0 3 343.391 2.204 20 5 EEBDHN COc1cc(C)sc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134751727 1367776216 /nfs/dbraw/zinc/77/62/16/1367776216.db2.gz BYSDXCRUAVZLBX-UHFFFAOYSA-N 0 3 349.412 2.493 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC001116039755 1371718754 /nfs/dbraw/zinc/71/87/54/1371718754.db2.gz UGDOWWVBPLSICX-OCCSQVGLSA-N 0 3 341.433 2.054 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000809732607 783315257 /nfs/dbraw/zinc/31/52/57/783315257.db2.gz GMTTWIATJZYWJQ-ZDUSSCGKSA-N 0 3 344.293 2.177 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC001131851562 783355257 /nfs/dbraw/zinc/35/52/57/783355257.db2.gz WURSIIMQTFFVQH-UHFFFAOYSA-N 0 3 329.356 2.196 20 5 EEBDHN COC1([C@H](C)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000817297271 784663473 /nfs/dbraw/zinc/66/34/73/784663473.db2.gz PFQJYPDQFIZDOI-NSHDSACASA-N 0 3 339.348 2.177 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000843843644 788685577 /nfs/dbraw/zinc/68/55/77/788685577.db2.gz SKMGSCBPYVLJBY-QWHCGFSZSA-N 0 3 341.408 2.160 20 5 EEBDHN Cc1ccnc(NCCNC(=O)C(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC001093888938 795766925 /nfs/dbraw/zinc/76/69/25/795766925.db2.gz ITFUDZYPRLHRDB-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CCN(CC)CC(=O)N(CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001106775851 796510310 /nfs/dbraw/zinc/51/03/10/796510310.db2.gz IGYNWIAIROWMFR-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN CCCN(C)CC(=O)N1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095187925 797498880 /nfs/dbraw/zinc/49/88/80/797498880.db2.gz BCHOREZFHIZRLC-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786758743 806878627 /nfs/dbraw/zinc/87/86/27/806878627.db2.gz SZBFASGFIPQADT-UHFFFAOYSA-N 0 3 344.371 2.500 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001086027778 801970674 /nfs/dbraw/zinc/97/06/74/801970674.db2.gz HQGAFDFXWSTIKB-XBXGTLAGSA-N 0 3 328.372 2.221 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006572 803567886 /nfs/dbraw/zinc/56/78/86/803567886.db2.gz IKXBXKAPSVPENY-KGLIPLIRSA-N 0 3 330.388 2.395 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000788416059 811316513 /nfs/dbraw/zinc/31/65/13/811316513.db2.gz JILLCPMZRBRTIV-UHFFFAOYSA-N 0 3 336.369 2.424 20 5 EEBDHN CC[C@]1(CO)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187598005 529424510 /nfs/dbraw/zinc/42/45/10/529424510.db2.gz KIEHWNNQLDDTKO-KRWDZBQOSA-N 0 3 335.404 2.408 20 5 EEBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451561586 536748184 /nfs/dbraw/zinc/74/81/84/536748184.db2.gz IUSODQVMMMENEN-DOMZBBRYSA-N 0 3 349.387 2.250 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186799319 529902648 /nfs/dbraw/zinc/90/26/48/529902648.db2.gz JSOZVBCVIVFMGY-UHFFFAOYSA-N 0 3 343.330 2.362 20 5 EEBDHN COc1ccc(OCCN(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181461786 234195365 /nfs/dbraw/zinc/19/53/65/234195365.db2.gz UFKCVBIMXPIRJB-CJNGLKHVSA-N 0 3 338.404 2.465 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181493531 234206434 /nfs/dbraw/zinc/20/64/34/234206434.db2.gz AEROUNHRZQSVFV-HNNXBMFYSA-N 0 3 335.404 2.115 20 5 EEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCCN(C2CCCC2)CC1 ZINC000420607668 283386241 /nfs/dbraw/zinc/38/62/41/283386241.db2.gz ZLRAPXWXVDXSBJ-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262725299 291194458 /nfs/dbraw/zinc/19/44/58/291194458.db2.gz GYNIOFBXBSCAPF-OLZOCXBDSA-N 0 3 332.404 2.017 20 5 EEBDHN CCN1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459453749 245127602 /nfs/dbraw/zinc/12/76/02/245127602.db2.gz CNFHSCCMNPWBNJ-OKILXGFUSA-N 0 3 337.420 2.397 20 5 EEBDHN COC(=O)[C@H]1CC12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000265008951 247132064 /nfs/dbraw/zinc/13/20/64/247132064.db2.gz FLJPWFRZTKIMSO-OAHLLOKOSA-N 0 3 334.372 2.249 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108025 285144999 /nfs/dbraw/zinc/14/49/99/285144999.db2.gz VMODNAPMPOQPCL-NVXWUHKLSA-N 0 3 348.399 2.484 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccccc2F)C1 ZINC000270598099 256152112 /nfs/dbraw/zinc/15/21/12/256152112.db2.gz VRQOFUJARPIJLL-ZDUSSCGKSA-N 0 3 331.347 2.385 20 5 EEBDHN Cc1cc(NCc2ccnc(OCCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000270736419 256166369 /nfs/dbraw/zinc/16/63/69/256166369.db2.gz SNOHEWCJISCQNQ-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000118994747 221219440 /nfs/dbraw/zinc/21/94/40/221219440.db2.gz USOWQWUIEXIXKT-WBVHZDCISA-N 0 3 331.416 2.470 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273096902 256264863 /nfs/dbraw/zinc/26/48/63/256264863.db2.gz UUBOUAOSPIPOPW-SJORKVTESA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186784884 160083545 /nfs/dbraw/zinc/08/35/45/160083545.db2.gz FSKKVGIZMCRUQX-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN CSc1ccccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355254 160635035 /nfs/dbraw/zinc/63/50/35/160635035.db2.gz DPJQVFXUSDUYMD-YPMHNXCESA-N 0 3 336.417 2.225 20 5 EEBDHN CO[C@]1(C)C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852162 160958541 /nfs/dbraw/zinc/95/85/41/160958541.db2.gz PSDCCKXNSMSKFG-RLFYNMQTSA-N 0 3 347.415 2.493 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000344161425 161203983 /nfs/dbraw/zinc/20/39/83/161203983.db2.gz YBUNDEYZNBSUFG-UHFFFAOYSA-N 0 3 334.464 2.444 20 5 EEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000345334635 161293333 /nfs/dbraw/zinc/29/33/33/161293333.db2.gz XQPZHNCZMUFZDG-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN CC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CC)CC ZINC000345945341 161344449 /nfs/dbraw/zinc/34/44/49/161344449.db2.gz BCZGWAFSTPPOCL-OAHLLOKOSA-N 0 3 348.447 2.364 20 5 EEBDHN CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000352367223 162106922 /nfs/dbraw/zinc/10/69/22/162106922.db2.gz MJWOSURKNGGYCX-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000359083377 164054056 /nfs/dbraw/zinc/05/40/56/164054056.db2.gz IPLSUJIPZIABCD-UHFFFAOYSA-N 0 3 346.387 2.136 20 5 EEBDHN CSC1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CCN(C)CC1 ZINC000359293018 164104885 /nfs/dbraw/zinc/10/48/85/164104885.db2.gz OXUQKYMQXBWVRJ-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000359656555 164146152 /nfs/dbraw/zinc/14/61/52/164146152.db2.gz HLQMURAVPDPTHS-OAHLLOKOSA-N 0 3 343.449 2.240 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819649 164385476 /nfs/dbraw/zinc/38/54/76/164385476.db2.gz SXBZUXSTAAXMIK-MLGOLLRUSA-N 0 3 328.372 2.173 20 5 EEBDHN CCc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000360869181 164394132 /nfs/dbraw/zinc/39/41/32/164394132.db2.gz BIEIGQORPUKOOT-INIZCTEOSA-N 0 3 347.415 2.140 20 5 EEBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898004 166148696 /nfs/dbraw/zinc/14/86/96/166148696.db2.gz VSNWCUNFUDWKDI-ZFWWWQNUSA-N 0 3 339.779 2.344 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCCN(Cc2ccccc2)CC1 ZINC000370046423 166383875 /nfs/dbraw/zinc/38/38/75/166383875.db2.gz RILAOTZVBSRYIG-UHFFFAOYSA-N 0 3 329.404 2.036 20 5 EEBDHN CC[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000245994283 292597747 /nfs/dbraw/zinc/59/77/47/292597747.db2.gz DYPBTRUOQMQJAG-JYJNAYRXSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122278835 222052587 /nfs/dbraw/zinc/05/25/87/222052587.db2.gz FWVYAYHMZCEIDI-OCCSQVGLSA-N 0 3 332.404 2.062 20 5 EEBDHN CCOCC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277431373 269155183 /nfs/dbraw/zinc/15/51/83/269155183.db2.gz GDOTWGQUKQLDHI-OAHLLOKOSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H](CO)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000280335282 269352961 /nfs/dbraw/zinc/35/29/61/269352961.db2.gz HYJKKCCAEYILIZ-LBPRGKRZSA-N 0 3 336.388 2.444 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291383081 275300044 /nfs/dbraw/zinc/30/00/44/275300044.db2.gz AWJUJKKXNBSWET-GOSISDBHSA-N 0 3 344.415 2.109 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1OCCc2sccc21 ZINC000292404342 275422830 /nfs/dbraw/zinc/42/28/30/275422830.db2.gz LNRNCFWNMHXEKG-MEDUHNTESA-N 0 3 349.412 2.110 20 5 EEBDHN CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271137607 278163745 /nfs/dbraw/zinc/16/37/45/278163745.db2.gz OICZDORUCKZKRP-CABCVRRESA-N 0 3 337.445 2.031 20 5 EEBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000343068160 278197834 /nfs/dbraw/zinc/19/78/34/278197834.db2.gz QGZPIXDSIWGBSZ-UONOGXRCSA-N 0 3 335.404 2.353 20 5 EEBDHN C[C@H](CSC(C)(C)C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448513 279366526 /nfs/dbraw/zinc/36/65/26/279366526.db2.gz NROZEUHEKJURGE-KCPJHIHWSA-N 0 3 342.461 2.499 20 5 EEBDHN O=C(NC1CCN(C2CCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000297317600 294210102 /nfs/dbraw/zinc/21/01/02/294210102.db2.gz YXWZMSWKTRAIET-UHFFFAOYSA-N 0 3 348.359 2.250 20 5 EEBDHN CCN1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301087224 294821195 /nfs/dbraw/zinc/82/11/95/294821195.db2.gz LIUJDSAMBBQIET-UHFFFAOYSA-N 0 3 338.364 2.200 20 5 EEBDHN C[C@]1(F)CNCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414768058 313082017 /nfs/dbraw/zinc/08/20/17/313082017.db2.gz KYLXRQFVKXEPIP-AWEZNQCLSA-N 0 3 333.310 2.330 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000418134624 313722292 /nfs/dbraw/zinc/72/22/92/313722292.db2.gz NPZIJBZGJNZDLK-GFCCVEGCSA-N 0 3 329.347 2.423 20 5 EEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCN1C ZINC000421015794 314026044 /nfs/dbraw/zinc/02/60/44/314026044.db2.gz XPJHJNCJIALXQA-GFCCVEGCSA-N 0 3 340.811 2.213 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000430216496 314505282 /nfs/dbraw/zinc/50/52/82/314505282.db2.gz FFTBFNKLNRQMCI-DZGCQCFKSA-N 0 3 325.434 2.081 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520854827 316883466 /nfs/dbraw/zinc/88/34/66/316883466.db2.gz FRZUHQFJDSOQOI-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN CN(CCC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000543716068 318168187 /nfs/dbraw/zinc/16/81/87/318168187.db2.gz MIMRGAGSXPWCPF-UHFFFAOYSA-N 0 3 343.387 2.044 20 5 EEBDHN COc1ccc(OCCNC(C)(C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000546705309 318262370 /nfs/dbraw/zinc/26/23/70/318262370.db2.gz OZQNRQJUYOZHFA-UHFFFAOYSA-N 0 3 334.376 2.241 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(OCCO)CCOCC1 ZINC000554572984 318564857 /nfs/dbraw/zinc/56/48/57/318564857.db2.gz PMBPTWPDHJNWQM-CQSZACIVSA-N 0 3 338.404 2.112 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000564280570 319075136 /nfs/dbraw/zinc/07/51/36/319075136.db2.gz HYHPZAVWCBSLAW-IVMMDQJWSA-N 0 3 332.404 2.090 20 5 EEBDHN CN(C)CCOCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567115890 319350091 /nfs/dbraw/zinc/35/00/91/319350091.db2.gz KETGAKARPQQKTB-ZDUSSCGKSA-N 0 3 335.326 2.366 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576407400 320169085 /nfs/dbraw/zinc/16/90/85/320169085.db2.gz LBBMKOZQAUSLDY-KRWDZBQOSA-N 0 3 343.387 2.021 20 5 EEBDHN Cn1cc(CN[C@H]2C=C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771845 465218675 /nfs/dbraw/zinc/21/86/75/465218675.db2.gz AZHXINJHJUCRIS-DOMZBBRYSA-N 0 3 328.372 2.022 20 5 EEBDHN COC(=O)c1ccnc(NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000590569589 468275449 /nfs/dbraw/zinc/27/54/49/468275449.db2.gz JVOGILFEJPBLFK-CQSZACIVSA-N 0 3 344.371 2.491 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000045767439 462616079 /nfs/dbraw/zinc/61/60/79/462616079.db2.gz CGMTYBLSSZDQSL-CQSZACIVSA-N 0 3 346.431 2.482 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000074683524 462624336 /nfs/dbraw/zinc/62/43/36/462624336.db2.gz YTGLNAGPBTZJHD-WCQYABFASA-N 0 3 334.376 2.304 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394074 462788292 /nfs/dbraw/zinc/78/82/92/462788292.db2.gz YVFKOXLQEQNKML-JSGCOSHPSA-N 0 3 345.403 2.307 20 5 EEBDHN CN(CCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000065882126 462836301 /nfs/dbraw/zinc/83/63/01/462836301.db2.gz MUPNUSPTKJNEQH-UHFFFAOYSA-N 0 3 342.399 2.255 20 5 EEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111832421 463683133 /nfs/dbraw/zinc/68/31/33/463683133.db2.gz VGRACPGCXTUWLS-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN Cc1ccc(NCCCN2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000269964004 464142275 /nfs/dbraw/zinc/14/22/75/464142275.db2.gz VWSNIHPNYJIVTG-HNNXBMFYSA-N 0 3 334.420 2.258 20 5 EEBDHN CSC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276717 464182405 /nfs/dbraw/zinc/18/24/05/464182405.db2.gz BLODZKXLVMTDFR-UKRRQHHQSA-N 0 3 340.445 2.410 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292374488 464212393 /nfs/dbraw/zinc/21/23/93/464212393.db2.gz RFDJEERGVVSEOE-INIZCTEOSA-N 0 3 335.429 2.485 20 5 EEBDHN CCCNC(=O)CN1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173317902 464239225 /nfs/dbraw/zinc/23/92/25/464239225.db2.gz JECKMKNIPDRYNZ-AWEZNQCLSA-N 0 3 348.447 2.236 20 5 EEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173665064 464305864 /nfs/dbraw/zinc/30/58/64/464305864.db2.gz SYSIXELXANWAAW-CYBMUJFWSA-N 0 3 341.433 2.090 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264636469 464404329 /nfs/dbraw/zinc/40/43/29/464404329.db2.gz VAZOXJCTQIMBCE-KRWDZBQOSA-N 0 3 346.431 2.407 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000174832370 464455913 /nfs/dbraw/zinc/45/59/13/464455913.db2.gz AAMBNQOCBALKNU-QGZVFWFLSA-N 0 3 330.388 2.473 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000281507902 464483298 /nfs/dbraw/zinc/48/32/98/464483298.db2.gz IJHACHSIFNPLNE-UONOGXRCSA-N 0 3 347.415 2.414 20 5 EEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272224330 464524937 /nfs/dbraw/zinc/52/49/37/464524937.db2.gz QDSDVCQIRTWJLJ-UHFFFAOYSA-N 0 3 343.330 2.410 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000281754860 464574592 /nfs/dbraw/zinc/57/45/92/464574592.db2.gz RFOPWZRRSSIOOI-RBUKOAKNSA-N 0 3 342.395 2.442 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426757 464603781 /nfs/dbraw/zinc/60/37/81/464603781.db2.gz CEJVJLJNCUHNBB-WBVHZDCISA-N 0 3 346.431 2.263 20 5 EEBDHN CC1(C)CN(CCNCc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000265749039 464671533 /nfs/dbraw/zinc/67/15/33/464671533.db2.gz HANVUVVDIRISLU-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000176216082 464722735 /nfs/dbraw/zinc/72/27/35/464722735.db2.gz QCMUCVBKUDWHSS-INIZCTEOSA-N 0 3 330.388 2.473 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000182831727 464736724 /nfs/dbraw/zinc/73/67/24/464736724.db2.gz QJCZRTDVKNLDIJ-LSDHHAIUSA-N 0 3 326.418 2.083 20 5 EEBDHN CSC[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248448312 464752975 /nfs/dbraw/zinc/75/29/75/464752975.db2.gz HQTNIOKAUASWRK-QWHCGFSZSA-N 0 3 326.418 2.162 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000286053369 464788495 /nfs/dbraw/zinc/78/84/95/464788495.db2.gz HXUKNFDJUFLWES-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN CCOC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000286308646 464874921 /nfs/dbraw/zinc/87/49/21/464874921.db2.gz WAKBMAWXDVNZGQ-OAHLLOKOSA-N 0 3 335.404 2.135 20 5 EEBDHN CN(C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355905 464902655 /nfs/dbraw/zinc/90/26/55/464902655.db2.gz VBEXWWWSPJQKRM-NEPJUHHUSA-N 0 3 341.433 2.283 20 5 EEBDHN Cc1cc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184610889 465007592 /nfs/dbraw/zinc/00/75/92/465007592.db2.gz AMEFXWNFOBVYHN-CQSZACIVSA-N 0 3 349.435 2.051 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000356344275 465325868 /nfs/dbraw/zinc/32/58/68/465325868.db2.gz LKUYQDBXTHJYDP-LQJOWZLYSA-N 0 3 342.399 2.330 20 5 EEBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298355190 465373431 /nfs/dbraw/zinc/37/34/31/465373431.db2.gz TXXSHDFILYUKMA-SJORKVTESA-N 0 3 348.399 2.385 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000362362367 465681245 /nfs/dbraw/zinc/68/12/45/465681245.db2.gz MGBDZVHQTYRRIL-PBHICJAKSA-N 0 3 336.388 2.421 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330597783 465723683 /nfs/dbraw/zinc/72/36/83/465723683.db2.gz SNOIAUKCNWGAGI-QWHCGFSZSA-N 0 3 334.420 2.256 20 5 EEBDHN C[C@H](N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190624 465973952 /nfs/dbraw/zinc/97/39/52/465973952.db2.gz PPKYEIFLUDSGKE-CQDKDKBSSA-N 0 3 341.433 2.106 20 5 EEBDHN COc1cc(NC2CCN([C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301911744 466059108 /nfs/dbraw/zinc/05/91/08/466059108.db2.gz COPDSDLJPQXUCQ-LBPRGKRZSA-N 0 3 339.367 2.408 20 5 EEBDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170805 466202609 /nfs/dbraw/zinc/20/26/09/466202609.db2.gz WGDLJERTFYRKJP-PBHICJAKSA-N 0 3 330.388 2.241 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000358036202 466403301 /nfs/dbraw/zinc/40/33/01/466403301.db2.gz KOGSMNUTWDHLFH-OCCSQVGLSA-N 0 3 326.418 2.083 20 5 EEBDHN CN1CC[C@@](O)(CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000358060514 466423080 /nfs/dbraw/zinc/42/30/80/466423080.db2.gz UEHCYHYVUQWNQX-HXUWFJFHSA-N 0 3 335.407 2.184 20 5 EEBDHN C[C@H]1CCC[C@H](CO)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839132 466479464 /nfs/dbraw/zinc/47/94/64/466479464.db2.gz GMRYSTZVRNINJZ-GXTWGEPZSA-N 0 3 349.387 2.128 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000600205337 468494396 /nfs/dbraw/zinc/49/43/96/468494396.db2.gz BWOFTQKSJJOUKX-OUCADQQQSA-N 0 3 326.418 2.081 20 5 EEBDHN CN1CC[C@@](O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174200 466513728 /nfs/dbraw/zinc/51/37/28/466513728.db2.gz XXJNHPWOQOZMJR-QGZVFWFLSA-N 0 3 331.372 2.011 20 5 EEBDHN C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1[C@H](C)CC[C@H]1C ZINC000347417019 466622106 /nfs/dbraw/zinc/62/21/06/466622106.db2.gz CVYHBBHUPHVKGD-MCIONIFRSA-N 0 3 347.415 2.446 20 5 EEBDHN Cc1cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000324256699 466645388 /nfs/dbraw/zinc/64/53/88/466645388.db2.gz BVLQYSCXPWLJGA-ZWNOBZJWSA-N 0 3 335.385 2.439 20 5 EEBDHN C[C@@H]1CCN[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223108 466699709 /nfs/dbraw/zinc/69/97/09/466699709.db2.gz DVTPLBUKLBAVKA-DYVFJYSZSA-N 0 3 347.415 2.353 20 5 EEBDHN COC1([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000412027069 466970533 /nfs/dbraw/zinc/97/05/33/466970533.db2.gz UTMAXHMXGDBRCS-LBPRGKRZSA-N 0 3 333.388 2.031 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000412176176 467032273 /nfs/dbraw/zinc/03/22/73/467032273.db2.gz PTETZZNUEJOYRF-WGGXSYPISA-N 0 3 329.400 2.440 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554929 467110394 /nfs/dbraw/zinc/11/03/94/467110394.db2.gz PKZMHFZSDKUIET-KRWDZBQOSA-N 0 3 347.415 2.038 20 5 EEBDHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413176863 467184498 /nfs/dbraw/zinc/18/44/98/467184498.db2.gz APEALSNRYYTAKY-RYUDHWBXSA-N 0 3 326.372 2.430 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c2cccnc21 ZINC000413177774 467184531 /nfs/dbraw/zinc/18/45/31/467184531.db2.gz MHMWLMKYTUAUPF-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452018441 467306279 /nfs/dbraw/zinc/30/62/79/467306279.db2.gz QWBYWPWSEDVYBC-OWCLPIDISA-N 0 3 333.388 2.247 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000433562560 467339413 /nfs/dbraw/zinc/33/94/13/467339413.db2.gz AZBQEAWSDZMXKG-QGZVFWFLSA-N 0 3 346.431 2.453 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000457235509 467784095 /nfs/dbraw/zinc/78/40/95/467784095.db2.gz JXKMLZNLTZCYTD-UHFFFAOYSA-N 0 3 331.376 2.055 20 5 EEBDHN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCCN1CCCCC1 ZINC000514602139 467943193 /nfs/dbraw/zinc/94/31/93/467943193.db2.gz LWSARBBPFKOKBY-UHFFFAOYSA-N 0 3 332.360 2.288 20 5 EEBDHN CCOc1cc(NC[C@@H](C)N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000486929880 468013707 /nfs/dbraw/zinc/01/37/07/468013707.db2.gz PZEGRRRTWDPSIC-CQSZACIVSA-N 0 3 336.436 2.431 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488036516 468068395 /nfs/dbraw/zinc/06/83/95/468068395.db2.gz RPBNPIIPGMOKHK-DOMZBBRYSA-N 0 3 335.404 2.331 20 5 EEBDHN CC(COC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496075792 468112841 /nfs/dbraw/zinc/11/28/41/468112841.db2.gz IQZSEWYVZMHKCM-GRYCIOLGSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519549352 468170774 /nfs/dbraw/zinc/17/07/74/468170774.db2.gz KXMYKOUKLZDYDY-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000582900558 468613932 /nfs/dbraw/zinc/61/39/32/468613932.db2.gz QDURPMVSZNHPQD-BBRMVZONSA-N 0 3 338.429 2.394 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CCO)C1CCOCC1 ZINC000595032605 468745890 /nfs/dbraw/zinc/74/58/90/468745890.db2.gz NTQWVEHKBLCERD-WBMJQRKESA-N 0 3 338.404 2.432 20 5 EEBDHN COc1ccc(OCCN2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695852 468958535 /nfs/dbraw/zinc/95/85/35/468958535.db2.gz IHMHTMINKWPRLJ-UKRRQHHQSA-N 0 3 338.404 2.465 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000610572855 469007170 /nfs/dbraw/zinc/00/71/70/469007170.db2.gz LGWKFDYFNGKAMZ-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000602687869 469011055 /nfs/dbraw/zinc/01/10/55/469011055.db2.gz NIFRQJPXDPKHCW-OAHLLOKOSA-N 0 3 341.411 2.474 20 5 EEBDHN CN1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598974972 469072442 /nfs/dbraw/zinc/07/24/42/469072442.db2.gz UXBDFQOZFIJARP-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC[C@H](O)C3)o2)cc1 ZINC000599018508 469089168 /nfs/dbraw/zinc/08/91/68/469089168.db2.gz KRXLPQPOXPOXIB-HNNXBMFYSA-N 0 3 331.372 2.011 20 5 EEBDHN CC(C)N[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587626212 469091497 /nfs/dbraw/zinc/09/14/97/469091497.db2.gz GPHIYFWPEKNRDJ-LLVKDONJSA-N 0 3 331.376 2.210 20 5 EEBDHN C[C@@H]1C[C@H](C)CN(CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339860 469113605 /nfs/dbraw/zinc/11/36/05/469113605.db2.gz ZSYZNOATAQQFCD-BETUJISGSA-N 0 3 346.387 2.389 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000588142379 469119741 /nfs/dbraw/zinc/11/97/41/469119741.db2.gz QCSGBEIEVCXBPU-MRXNPFEDSA-N 0 3 346.431 2.263 20 5 EEBDHN COc1cc(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269654 469226760 /nfs/dbraw/zinc/22/67/60/469226760.db2.gz WQHAWZKOLPZYKN-UHFFFAOYSA-N 0 3 335.404 2.295 20 5 EEBDHN CCN1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268609 469226806 /nfs/dbraw/zinc/22/68/06/469226806.db2.gz KKBARKAUQFKTRA-LBPRGKRZSA-N 0 3 336.392 2.005 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(C)(C)CO)CC1 ZINC000615835269 469324234 /nfs/dbraw/zinc/32/42/34/469324234.db2.gz GTZIYPJZBRYJKL-RVDMUPIBSA-N 0 3 333.432 2.387 20 5 EEBDHN CC(C)N1CCC(N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000603264110 469328849 /nfs/dbraw/zinc/32/88/49/469328849.db2.gz USAUAUUSFKWGHB-UHFFFAOYSA-N 0 3 349.387 2.268 20 5 EEBDHN CC[C@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000616865347 469526192 /nfs/dbraw/zinc/52/61/92/469526192.db2.gz LPPWWLICPNSCJP-AWEZNQCLSA-N 0 3 327.768 2.345 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000609628149 469951438 /nfs/dbraw/zinc/95/14/38/469951438.db2.gz QYYANVQKBRPOKB-OAHLLOKOSA-N 0 3 342.399 2.328 20 5 EEBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000179718573 533746702 /nfs/dbraw/zinc/74/67/02/533746702.db2.gz QXLUGDXNRCLSHC-ZDUSSCGKSA-N 0 3 342.399 2.427 20 5 EEBDHN CN(C)Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000738526763 578018314 /nfs/dbraw/zinc/01/83/14/578018314.db2.gz NVMNYBXLZRTLKD-UHFFFAOYSA-N 0 3 330.388 2.267 20 5 EEBDHN CC[C@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727833393 576453027 /nfs/dbraw/zinc/45/30/27/576453027.db2.gz SANWBEDLXQLWQX-HNNXBMFYSA-N 0 3 346.431 2.118 20 5 EEBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774528386 577402275 /nfs/dbraw/zinc/40/22/75/577402275.db2.gz DMKJFTSNSSKVTB-LBPRGKRZSA-N 0 3 332.404 2.241 20 5 EEBDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276590 577456493 /nfs/dbraw/zinc/45/64/93/577456493.db2.gz OBCFFBIFADQTRT-QGZVFWFLSA-N 0 3 343.383 2.120 20 5 EEBDHN Cc1noc([C@@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579509 577463035 /nfs/dbraw/zinc/46/30/35/577463035.db2.gz MCACGCIJNKJHOL-UKRRQHHQSA-N 0 3 332.360 2.199 20 5 EEBDHN Cc1nn(CN2CC[C@@H](N3CC=CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765033055 577493235 /nfs/dbraw/zinc/49/32/35/577493235.db2.gz GGIRHJODFYDBLR-OAHLLOKOSA-N 0 3 327.388 2.157 20 5 EEBDHN CC(C)(C)OC(=O)NCC(=N)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000766740770 577524207 /nfs/dbraw/zinc/52/42/07/577524207.db2.gz QJICIKVHIPEURF-UHFFFAOYSA-N 0 3 342.327 2.257 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887248 577565048 /nfs/dbraw/zinc/56/50/48/577565048.db2.gz IYFDUAGHBODBGL-JTQLQIEISA-N 0 3 347.462 2.007 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3ccc(O)cc3CC2)c1 ZINC000750097899 577987072 /nfs/dbraw/zinc/98/70/72/577987072.db2.gz ZFECHLKTQGUJAA-SFHVURJKSA-N 0 3 328.368 2.435 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820093300 606808659 /nfs/dbraw/zinc/80/86/59/606808659.db2.gz VLGHASXMEIOLTF-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820093300 606808661 /nfs/dbraw/zinc/80/86/61/606808661.db2.gz VLGHASXMEIOLTF-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820093300 606808663 /nfs/dbraw/zinc/80/86/63/606808663.db2.gz VLGHASXMEIOLTF-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820093300 606808664 /nfs/dbraw/zinc/80/86/64/606808664.db2.gz VLGHASXMEIOLTF-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN COc1csc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001132245887 1199495238 /nfs/dbraw/zinc/49/52/38/1199495238.db2.gz MUORHUKCZYDWNP-UHFFFAOYSA-N 0 3 335.385 2.185 20 5 EEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1Br ZINC000813113742 1201124840 /nfs/dbraw/zinc/12/48/40/1201124840.db2.gz UOGQXQIGWTXPNH-SSDOTTSWSA-N 0 3 348.149 2.288 20 5 EEBDHN CSCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000932587435 1207631831 /nfs/dbraw/zinc/63/18/31/1207631831.db2.gz KMWBGTIXAVMMTN-AWEZNQCLSA-N 0 3 340.445 2.410 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934439793 1207964190 /nfs/dbraw/zinc/96/41/90/1207964190.db2.gz ZFFSHMKFTDAACG-NZSAHSFTSA-N 0 3 342.395 2.164 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000194748257 1211261766 /nfs/dbraw/zinc/26/17/66/1211261766.db2.gz NIABFSIBURLTRQ-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827071659 1249782310 /nfs/dbraw/zinc/78/23/10/1249782310.db2.gz WPGFBVIHUAZZPZ-UHFFFAOYSA-N 0 3 340.399 2.214 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000827497067 1248229812 /nfs/dbraw/zinc/22/98/12/1248229812.db2.gz SFQGZKNTNHVBBA-OLZOCXBDSA-N 0 3 328.372 2.418 20 5 EEBDHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104134366 1284913898 /nfs/dbraw/zinc/91/38/98/1284913898.db2.gz YRKXKVLYTUKGDD-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CN3C[C@H]2NCC3)c1Cl ZINC001218110362 1297577205 /nfs/dbraw/zinc/57/72/05/1297577205.db2.gz ZAEYHRLRBSVSRJ-ZYHUDNBSSA-N 0 3 346.214 2.499 20 5 EEBDHN CN1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449064 1301832394 /nfs/dbraw/zinc/83/23/94/1301832394.db2.gz KIRZKFKRLTYJNA-AWEZNQCLSA-N 0 3 326.352 2.004 20 5 EEBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])c(C)cc2[N+](=O)[O-])CC1 ZINC001230494392 1303227032 /nfs/dbraw/zinc/22/70/32/1303227032.db2.gz RRPNLZVMULJGEZ-UHFFFAOYSA-N 0 3 339.348 2.301 20 5 EEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)CN1CCOCC1 ZINC000839674562 1315229958 /nfs/dbraw/zinc/22/99/58/1315229958.db2.gz QHYREACNIQVGNB-UHFFFAOYSA-N 0 3 325.384 2.277 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000843090750 1315839551 /nfs/dbraw/zinc/83/95/51/1315839551.db2.gz WHQHRTHMQUDAQM-LSDHHAIUSA-N 0 3 338.310 2.230 20 5 EEBDHN O=C(Cc1ccccc1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149693078 1316016400 /nfs/dbraw/zinc/01/64/00/1316016400.db2.gz UXNOXHHKQGEDCH-UHFFFAOYSA-N 0 3 331.347 2.182 20 5 EEBDHN COC(=O)c1ccnc(-n2c3ccccc3nc2[C@H](C)N)c1[N+](=O)[O-] ZINC001155255959 1317526717 /nfs/dbraw/zinc/52/67/17/1317526717.db2.gz YPRKQDRVPZGBBZ-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN Cc1ccncc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156101194 1317877362 /nfs/dbraw/zinc/87/73/62/1317877362.db2.gz RGLKMWZYCFFVKC-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(N2CCO[C@@H](CN3CCCC3)C2)nc1Cl ZINC001158309425 1319163816 /nfs/dbraw/zinc/16/38/16/1319163816.db2.gz KAPPFMRJGLUFQP-LBPRGKRZSA-N 0 3 340.811 2.253 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001162725062 1320941047 /nfs/dbraw/zinc/94/10/47/1320941047.db2.gz YYFUTBWQOJNTJB-UHFFFAOYSA-N 0 3 326.353 2.033 20 5 EEBDHN COC(=O)Cc1ccc(N2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001324486584 1333693749 /nfs/dbraw/zinc/69/37/49/1333693749.db2.gz PWRFXKNKRORTNN-UHFFFAOYSA-N 0 3 335.404 2.231 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001609602171 1352031852 /nfs/dbraw/zinc/03/18/52/1352031852.db2.gz PAOBIRJRJQKNHP-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001609602171 1352031858 /nfs/dbraw/zinc/03/18/58/1352031858.db2.gz PAOBIRJRJQKNHP-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001609602171 1352031861 /nfs/dbraw/zinc/03/18/61/1352031861.db2.gz PAOBIRJRJQKNHP-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001609602171 1352031866 /nfs/dbraw/zinc/03/18/66/1352031866.db2.gz PAOBIRJRJQKNHP-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848352534 1338690879 /nfs/dbraw/zinc/69/08/79/1338690879.db2.gz QIYWJVDFORJHDO-UONOGXRCSA-N 0 3 336.367 2.063 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589136865 1348964457 /nfs/dbraw/zinc/96/44/57/1348964457.db2.gz UBTLQASPBAQHEC-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589136865 1348964459 /nfs/dbraw/zinc/96/44/59/1348964459.db2.gz UBTLQASPBAQHEC-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589136865 1348964462 /nfs/dbraw/zinc/96/44/62/1348964462.db2.gz UBTLQASPBAQHEC-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589136865 1348964465 /nfs/dbraw/zinc/96/44/65/1348964465.db2.gz UBTLQASPBAQHEC-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC1(C)CC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083329 1349143563 /nfs/dbraw/zinc/14/35/63/1349143563.db2.gz DZOBVZGLRHKJCY-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN CC1(C)CC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083329 1349143567 /nfs/dbraw/zinc/14/35/67/1349143567.db2.gz DZOBVZGLRHKJCY-UHFFFAOYSA-N 0 3 345.407 2.496 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC001593478585 1349812013 /nfs/dbraw/zinc/81/20/13/1349812013.db2.gz WENHOTBNSBJJCC-LSDHHAIUSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC001593478585 1349812015 /nfs/dbraw/zinc/81/20/15/1349812015.db2.gz WENHOTBNSBJJCC-LSDHHAIUSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC001593478585 1349812019 /nfs/dbraw/zinc/81/20/19/1349812019.db2.gz WENHOTBNSBJJCC-LSDHHAIUSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC001593478585 1349812020 /nfs/dbraw/zinc/81/20/20/1349812020.db2.gz WENHOTBNSBJJCC-LSDHHAIUSA-N 0 3 343.391 2.204 20 5 EEBDHN Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733089 1351219491 /nfs/dbraw/zinc/21/94/91/1351219491.db2.gz ZVFMYJCJZNQILD-GFCCVEGCSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733089 1351219493 /nfs/dbraw/zinc/21/94/93/1351219493.db2.gz ZVFMYJCJZNQILD-GFCCVEGCSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733089 1351219495 /nfs/dbraw/zinc/21/94/95/1351219495.db2.gz ZVFMYJCJZNQILD-GFCCVEGCSA-N 0 3 345.407 2.226 20 5 EEBDHN Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733089 1351219498 /nfs/dbraw/zinc/21/94/98/1351219498.db2.gz ZVFMYJCJZNQILD-GFCCVEGCSA-N 0 3 345.407 2.226 20 5 EEBDHN COC(=O)Cc1ccc(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167698384 761859171 /nfs/dbraw/zinc/85/91/71/761859171.db2.gz UMANUGSWVNBZBS-UHFFFAOYSA-N 0 3 340.339 2.108 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714974 786434647 /nfs/dbraw/zinc/43/46/47/786434647.db2.gz JTEIPGUPKQTRRD-LSDHHAIUSA-N 0 3 343.387 2.095 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(CN(C)C3)C2)c1F ZINC001173193337 797282569 /nfs/dbraw/zinc/28/25/69/797282569.db2.gz REKJZXFMMYOEOY-GFCCVEGCSA-N 0 3 337.395 2.311 20 5 EEBDHN CCCN(C)CC(=O)N1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095187979 797499192 /nfs/dbraw/zinc/49/91/92/797499192.db2.gz FGMQKNFYZQWCBM-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1(N(C)C)CCC1 ZINC001106874229 797634844 /nfs/dbraw/zinc/63/48/44/797634844.db2.gz XVSWPZJNDQAXJV-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CC(C)(C)OC(=O)N[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037536 803581293 /nfs/dbraw/zinc/58/12/93/803581293.db2.gz SBUBPQQEXPUUDO-REWJHTLYSA-N 0 3 345.415 2.369 20 5 EEBDHN CCOC(=O)[C@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345023 809916289 /nfs/dbraw/zinc/91/62/89/809916289.db2.gz GLNDUYMURQXPLI-JSGCOSHPSA-N 0 3 336.388 2.419 20 5 EEBDHN CCc1cncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001131368321 812726429 /nfs/dbraw/zinc/72/64/29/812726429.db2.gz PSHFMOOAYNXCBO-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN CN(C)C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416300449 239167013 /nfs/dbraw/zinc/16/70/13/239167013.db2.gz IYORYQDENPLFBP-UHFFFAOYSA-N 0 3 341.795 2.228 20 5 EEBDHN N[C@H](CC1CCCCC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422930971 240295268 /nfs/dbraw/zinc/29/52/68/240295268.db2.gz AIBCPWFHEHBRRY-MRXNPFEDSA-N 0 3 334.420 2.421 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000074764202 203292832 /nfs/dbraw/zinc/29/28/32/203292832.db2.gz CXIWCBQHCIIRAO-OAHLLOKOSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000103971625 204090890 /nfs/dbraw/zinc/09/08/90/204090890.db2.gz LMYXHFIZDOJHSY-CYBMUJFWSA-N 0 3 345.403 2.037 20 5 EEBDHN CCN1CCN([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000107371558 204236319 /nfs/dbraw/zinc/23/63/19/204236319.db2.gz KBUVVBKWIJKNLO-QGZVFWFLSA-N 0 3 332.448 2.115 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN(C2CC2)CC1 ZINC000127397681 205099413 /nfs/dbraw/zinc/09/94/13/205099413.db2.gz XNZOVDNAFRCPAQ-UHFFFAOYSA-N 0 3 342.399 2.362 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491532560 246062604 /nfs/dbraw/zinc/06/26/04/246062604.db2.gz LNDXDIKAWOFPJV-ZNFPLGDCSA-N 0 3 347.415 2.177 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000175848310 207166185 /nfs/dbraw/zinc/16/61/85/207166185.db2.gz WDDOIUKXBQBDIU-STQMWFEESA-N 0 3 336.417 2.441 20 5 EEBDHN COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984918 256102272 /nfs/dbraw/zinc/10/22/72/256102272.db2.gz POHSDDQSKRCERY-DGCLKSJQSA-N 0 3 348.403 2.028 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000273489225 256300682 /nfs/dbraw/zinc/30/06/82/256300682.db2.gz KJNISLCSKBLKPS-HZPDHXFCSA-N 0 3 349.456 2.176 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274288495 256370782 /nfs/dbraw/zinc/37/07/82/256370782.db2.gz LTROAPDYHRNTBO-WFASDCNBSA-N 0 3 328.372 2.173 20 5 EEBDHN CN(CCN1CCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000089899269 292213781 /nfs/dbraw/zinc/21/37/81/292213781.db2.gz YFLYAAWTLIEPBV-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083026350 159160046 /nfs/dbraw/zinc/16/00/46/159160046.db2.gz JRFUUCLSNMVAKD-GJZGRUSLSA-N 0 3 349.431 2.143 20 5 EEBDHN O=C1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181171 159192919 /nfs/dbraw/zinc/19/29/19/159192919.db2.gz WPQOUXLCEHVVFB-HOCLYGCPSA-N 0 3 329.400 2.269 20 5 EEBDHN Cc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000337817310 160675273 /nfs/dbraw/zinc/67/52/73/160675273.db2.gz RMWSPFGXEPRIMV-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN CC[C@@H]1CCCCN1CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342134886 161042290 /nfs/dbraw/zinc/04/22/90/161042290.db2.gz SVASWIALEIOGPS-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000343633415 161153056 /nfs/dbraw/zinc/15/30/56/161153056.db2.gz FGAZILIETWVBLQ-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000344425190 161226244 /nfs/dbraw/zinc/22/62/44/161226244.db2.gz VIFWDFHUWALKAW-KBPBESRZSA-N 0 3 334.420 2.315 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000344795967 161246686 /nfs/dbraw/zinc/24/66/86/161246686.db2.gz NFWHTYYWQVPJFG-UHFFFAOYSA-N 0 3 332.404 2.348 20 5 EEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854293 161337472 /nfs/dbraw/zinc/33/74/72/161337472.db2.gz MXFBCZGFNKVLSQ-VXGBXAGGSA-N 0 3 343.330 2.201 20 5 EEBDHN CCc1ccc([C@H](NC[C@@H](O)CN(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551138 161381155 /nfs/dbraw/zinc/38/11/55/161381155.db2.gz HFXXKWFPJAIRRZ-CRAIPNDOSA-N 0 3 347.415 2.352 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000352470719 162147415 /nfs/dbraw/zinc/14/74/15/162147415.db2.gz MIMPSSNBSDSSOB-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccccc1)N(C)C ZINC000356254660 163381799 /nfs/dbraw/zinc/38/17/99/163381799.db2.gz PLKGJZGQRDSJCP-BLLLJJGKSA-N 0 3 330.388 2.355 20 5 EEBDHN CC(=O)N[C@H](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000360618257 164352723 /nfs/dbraw/zinc/35/27/23/164352723.db2.gz HQJHWEIQPJNING-CYBMUJFWSA-N 0 3 335.404 2.210 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000364984083 165341514 /nfs/dbraw/zinc/34/15/14/165341514.db2.gz SKNLPZDXTPAKGE-JCGIZDLHSA-N 0 3 333.432 2.495 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369414954 166256431 /nfs/dbraw/zinc/25/64/31/166256431.db2.gz YQGMCRYSAXSITK-KRWDZBQOSA-N 0 3 332.448 2.195 20 5 EEBDHN COc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272772976 269018217 /nfs/dbraw/zinc/01/82/17/269018217.db2.gz CLFBRXGOSPXTBB-LLVKDONJSA-N 0 3 334.376 2.375 20 5 EEBDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274760980 269051065 /nfs/dbraw/zinc/05/10/65/269051065.db2.gz XLKDVWGZLNTGHY-JTQLQIEISA-N 0 3 337.376 2.487 20 5 EEBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c3nonc32)CCCO1 ZINC000277794928 269183625 /nfs/dbraw/zinc/18/36/25/269183625.db2.gz XKZMCXBTODWOJE-NSHDSACASA-N 0 3 335.364 2.044 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000278783664 269242826 /nfs/dbraw/zinc/24/28/26/269242826.db2.gz DIXLSZMATWKAPA-UHFFFAOYSA-N 0 3 344.419 2.204 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842855 274485955 /nfs/dbraw/zinc/48/59/55/274485955.db2.gz NZJPTIXKVCSAMF-KDOFPFPSSA-N 0 3 332.448 2.198 20 5 EEBDHN COc1cc(CN(C)CCN(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000289799071 275149857 /nfs/dbraw/zinc/14/98/57/275149857.db2.gz MOKKYLKAQLWSGY-UHFFFAOYSA-N 0 3 347.362 2.241 20 5 EEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780333 277252589 /nfs/dbraw/zinc/25/25/89/277252589.db2.gz CDUYXIZUTQCMHF-LSDHHAIUSA-N 0 3 335.404 2.386 20 5 EEBDHN CNc1nc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455558441 277303981 /nfs/dbraw/zinc/30/39/81/277303981.db2.gz UANWYYIOUMPILV-TXEJJXNPSA-N 0 3 335.408 2.024 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229259 278178026 /nfs/dbraw/zinc/17/80/26/278178026.db2.gz SCXKHEZBCWLCFP-NXEZZACHSA-N 0 3 329.784 2.082 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173989756 279168777 /nfs/dbraw/zinc/16/87/77/279168777.db2.gz QBUNLGRTIDWUGO-ZDUSSCGKSA-N 0 3 341.433 2.008 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296727586 294051647 /nfs/dbraw/zinc/05/16/47/294051647.db2.gz GSJVECCSJDXUMH-GUYCJALGSA-N 0 3 332.404 2.393 20 5 EEBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCC1 ZINC000298553079 294527264 /nfs/dbraw/zinc/52/72/64/294527264.db2.gz FBHFBYOQHGDPAG-UHFFFAOYSA-N 0 3 338.383 2.014 20 5 EEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000161405913 311365705 /nfs/dbraw/zinc/36/57/05/311365705.db2.gz FHAHDOQUIWJEAR-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN CO[C@@](C)([C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973233 312593803 /nfs/dbraw/zinc/59/38/03/312593803.db2.gz RJCYFEVJPVSOBF-SJCJKPOMSA-N 0 3 335.404 2.351 20 5 EEBDHN CO[C@@H]([C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185233 312979670 /nfs/dbraw/zinc/97/96/70/312979670.db2.gz OIAOHLMXMKXRHO-RLCCDNCMSA-N 0 3 333.388 2.103 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)[C@@H]1CCCSC1 ZINC000438996800 315062645 /nfs/dbraw/zinc/06/26/45/315062645.db2.gz ICKYFBPUKWEJJB-CYBMUJFWSA-N 0 3 326.418 2.164 20 5 EEBDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218928 316845020 /nfs/dbraw/zinc/84/50/20/316845020.db2.gz IJFRWBRHZDFULO-ZFWWWQNUSA-N 0 3 348.403 2.357 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000524341890 317014471 /nfs/dbraw/zinc/01/44/71/317014471.db2.gz NIUVGKODDJQUPA-MRXNPFEDSA-N 0 3 332.404 2.365 20 5 EEBDHN CCCC[C@@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540171730 318071649 /nfs/dbraw/zinc/07/16/49/318071649.db2.gz XRIUTPSBRCGLLO-CYBMUJFWSA-N 0 3 343.449 2.432 20 5 EEBDHN CCc1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000564324469 319078369 /nfs/dbraw/zinc/07/83/69/319078369.db2.gz HQOYYNLTLWVADA-GFCCVEGCSA-N 0 3 343.449 2.164 20 5 EEBDHN COc1ccc(CC(=O)N2C[C@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000564722472 319104518 /nfs/dbraw/zinc/10/45/18/319104518.db2.gz PTWZIRMFQJPTQM-CQSZACIVSA-N 0 3 341.367 2.063 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc2c(c1)COC2 ZINC000564852470 319118411 /nfs/dbraw/zinc/11/84/11/319118411.db2.gz LXUWWSJHACHVJF-MRXNPFEDSA-N 0 3 344.367 2.155 20 5 EEBDHN C[C@H]1NCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000565481846 319186823 /nfs/dbraw/zinc/18/68/23/319186823.db2.gz IAURUDRTXOBHCN-KGLIPLIRSA-N 0 3 346.431 2.020 20 5 EEBDHN CN(C)C(=O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578244819 320303726 /nfs/dbraw/zinc/30/37/26/320303726.db2.gz MXWJHCWNXFKOMO-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293263 465028838 /nfs/dbraw/zinc/02/88/38/465028838.db2.gz QEDVCLSPIHNDCB-STQMWFEESA-N 0 3 341.433 2.007 20 5 EEBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000296078959 465074243 /nfs/dbraw/zinc/07/42/43/465074243.db2.gz SHWLMNJRQJZAML-ZDUSSCGKSA-N 0 3 348.403 2.472 20 5 EEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000296282087 465141553 /nfs/dbraw/zinc/14/15/53/465141553.db2.gz HHIOKQOGWOQMSS-CYBMUJFWSA-N 0 3 334.376 2.448 20 5 EEBDHN NC(=O)c1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503798 465190164 /nfs/dbraw/zinc/19/01/64/465190164.db2.gz UAFVZEGVUAPJJF-LSDHHAIUSA-N 0 3 343.387 2.164 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341544191 465224555 /nfs/dbraw/zinc/22/45/55/465224555.db2.gz HAWVPAXXTIXIHI-CYBMUJFWSA-N 0 3 334.420 2.235 20 5 EEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000112925518 462554764 /nfs/dbraw/zinc/55/47/64/462554764.db2.gz QXWASOZLQQIBOT-UHFFFAOYSA-N 0 3 334.420 2.267 20 5 EEBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C1CC1 ZINC000087138183 462591870 /nfs/dbraw/zinc/59/18/70/462591870.db2.gz LVSJQPQWCSFTSM-LBPRGKRZSA-N 0 3 332.404 2.145 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763948 462631861 /nfs/dbraw/zinc/63/18/61/462631861.db2.gz RPNJYSIBODBVLK-AWEZNQCLSA-N 0 3 334.420 2.121 20 5 EEBDHN CC1(C)CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1CCO ZINC000590698681 468311702 /nfs/dbraw/zinc/31/17/02/468311702.db2.gz MZEWYMINUCRQKX-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1ccccc1[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550128 462796434 /nfs/dbraw/zinc/79/64/34/462796434.db2.gz SRNCNUXNEVBJRY-AWEZNQCLSA-N 0 3 343.383 2.255 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000090538980 462796532 /nfs/dbraw/zinc/79/65/32/462796532.db2.gz OBCFXLOIKGLANP-CYBMUJFWSA-N 0 3 343.387 2.269 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000090559570 462797531 /nfs/dbraw/zinc/79/75/31/462797531.db2.gz RSHKPHWNFZROOB-MRXNPFEDSA-N 0 3 342.399 2.333 20 5 EEBDHN Cc1c(CC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000133652592 462955951 /nfs/dbraw/zinc/95/59/51/462955951.db2.gz FIJMYIUHYLETNY-RDJZCZTQSA-N 0 3 331.416 2.388 20 5 EEBDHN Cc1cccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092822363 462982382 /nfs/dbraw/zinc/98/23/82/462982382.db2.gz HEVUGDPLEAGQAC-GOSISDBHSA-N 0 3 342.399 2.250 20 5 EEBDHN Cc1cc(N[C@@H](C)CN2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988680 463129974 /nfs/dbraw/zinc/12/99/74/463129974.db2.gz ZGYVUVAURORTSN-AWEZNQCLSA-N 0 3 343.431 2.499 20 5 EEBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000078674727 463139421 /nfs/dbraw/zinc/13/94/21/463139421.db2.gz NRUFUGPPQPPDGK-HNNXBMFYSA-N 0 3 329.404 2.287 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122046638 463234829 /nfs/dbraw/zinc/23/48/29/463234829.db2.gz MMMQUWAJGQJRRF-GFCCVEGCSA-N 0 3 339.367 2.103 20 5 EEBDHN Cc1c(CC(=O)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000159870545 463308800 /nfs/dbraw/zinc/30/88/00/463308800.db2.gz KPURRAIDETZWCG-UHFFFAOYSA-N 0 3 340.383 2.190 20 5 EEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC1CCCCC1 ZINC000123264014 463329511 /nfs/dbraw/zinc/32/95/11/463329511.db2.gz NBLWNSMBZZKTBD-UHFFFAOYSA-N 0 3 341.433 2.043 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148445535 463401143 /nfs/dbraw/zinc/40/11/43/463401143.db2.gz FGUIOPCCISNLCM-NWDGAFQWSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccncc2)CC1 ZINC000161339694 463422246 /nfs/dbraw/zinc/42/22/46/463422246.db2.gz QDJYUTVENOMLLK-UHFFFAOYSA-N 0 3 328.372 2.321 20 5 EEBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000083995964 463572337 /nfs/dbraw/zinc/57/23/37/463572337.db2.gz KUTMBEDKWDEUTJ-JTQLQIEISA-N 0 3 349.840 2.175 20 5 EEBDHN COC(=O)CC1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000152516283 463699352 /nfs/dbraw/zinc/69/93/52/463699352.db2.gz LJZALXULHZSORJ-UHFFFAOYSA-N 0 3 342.779 2.450 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000277130205 463883918 /nfs/dbraw/zinc/88/39/18/463883918.db2.gz TVJMLAHSWQRSKJ-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN O=C(NCCN1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178434978 463900802 /nfs/dbraw/zinc/90/08/02/463900802.db2.gz PXMRGCJQSUEOCZ-UHFFFAOYSA-N 0 3 342.193 2.183 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000278800367 463987244 /nfs/dbraw/zinc/98/72/44/463987244.db2.gz ZCNSBYDKHPYWDG-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000283828732 464023244 /nfs/dbraw/zinc/02/32/44/464023244.db2.gz GDGUWYXNGGJKMU-ZDUSSCGKSA-N 0 3 335.404 2.407 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978340 464217561 /nfs/dbraw/zinc/21/75/61/464217561.db2.gz DBCUIRNVXPPQGS-ZFWWWQNUSA-N 0 3 336.388 2.476 20 5 EEBDHN Cc1c([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987450 464219079 /nfs/dbraw/zinc/21/90/79/464219079.db2.gz AHCUQGVQPKVTEO-KBPBESRZSA-N 0 3 336.388 2.476 20 5 EEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591056193 468400629 /nfs/dbraw/zinc/40/06/29/468400629.db2.gz USLIMCMQJFBVSY-BHYGNILZSA-N 0 3 329.400 2.299 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000271667212 464357247 /nfs/dbraw/zinc/35/72/47/464357247.db2.gz FOZCHNPGBJYRME-UKRRQHHQSA-N 0 3 326.418 2.083 20 5 EEBDHN CCCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294462712 464507550 /nfs/dbraw/zinc/50/75/50/464507550.db2.gz DTSRJVCEMTZFAV-UHFFFAOYSA-N 0 3 343.387 2.153 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000281632186 464528493 /nfs/dbraw/zinc/52/84/93/464528493.db2.gz QOYRHWWWBXKUFS-CABCVRRESA-N 0 3 349.431 2.471 20 5 EEBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408555 464647179 /nfs/dbraw/zinc/64/71/79/464647179.db2.gz XVUGTLPWFCMIJE-WFASDCNBSA-N 0 3 332.356 2.391 20 5 EEBDHN CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000176263993 464734764 /nfs/dbraw/zinc/73/47/64/464734764.db2.gz OSYVPBYCBRCHHM-UHFFFAOYSA-N 0 3 328.372 2.385 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282542047 464858229 /nfs/dbraw/zinc/85/82/29/464858229.db2.gz RNCBNKVEANXACG-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN Cc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2cnn(C)c2)c1 ZINC000282617917 464886155 /nfs/dbraw/zinc/88/61/55/464886155.db2.gz JGPWPTAJXIBVPC-UHFFFAOYSA-N 0 3 340.387 2.290 20 5 EEBDHN CCc1n[nH]c(C(=O)N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286643528 464989282 /nfs/dbraw/zinc/98/92/82/464989282.db2.gz MZSWYAWCPHYZFX-UHFFFAOYSA-N 0 3 349.391 2.067 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000359810309 465492650 /nfs/dbraw/zinc/49/26/50/465492650.db2.gz OWZJBJXCKVDIRF-IUODEOHRSA-N 0 3 328.372 2.316 20 5 EEBDHN C[C@]1(O)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000348381116 465575400 /nfs/dbraw/zinc/57/54/00/465575400.db2.gz WTJNKUYNOFPBMJ-KRWDZBQOSA-N 0 3 349.387 2.130 20 5 EEBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000344555127 465672800 /nfs/dbraw/zinc/67/28/00/465672800.db2.gz XVZJYLKBUGHPDN-IBGZPJMESA-N 0 3 341.411 2.321 20 5 EEBDHN C[C@H]1COCCN1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990707 468453254 /nfs/dbraw/zinc/45/32/54/468453254.db2.gz JRPRXLIDVFSQSA-HNNXBMFYSA-N 0 3 349.431 2.159 20 5 EEBDHN CCN1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346178404 465966799 /nfs/dbraw/zinc/96/67/99/465966799.db2.gz IVZFGMQQXQXJOH-UONOGXRCSA-N 0 3 337.420 2.397 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000353546312 465970433 /nfs/dbraw/zinc/97/04/33/465970433.db2.gz NKRKBXOHHRDTCW-UHFFFAOYSA-N 0 3 343.449 2.167 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000349200161 466017861 /nfs/dbraw/zinc/01/78/61/466017861.db2.gz GVEZXZFGGONAMT-KGLIPLIRSA-N 0 3 337.420 2.365 20 5 EEBDHN C[C@@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274172 466048783 /nfs/dbraw/zinc/04/87/83/466048783.db2.gz SBOPVTPHKSNZCG-SJKOYZFVSA-N 0 3 335.379 2.392 20 5 EEBDHN C[C@@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312882 468470330 /nfs/dbraw/zinc/47/03/30/468470330.db2.gz GWXRKGOLWCIJBD-MLGOLLRUSA-N 0 3 337.445 2.252 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CC[C@H](CO)O2)o1 ZINC000353715922 466091492 /nfs/dbraw/zinc/09/14/92/466091492.db2.gz XRWZKKNGBUIYDJ-GXTWGEPZSA-N 0 3 332.356 2.484 20 5 EEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000302461532 466143231 /nfs/dbraw/zinc/14/32/31/466143231.db2.gz ROMMZRSZJWKSAV-GOSISDBHSA-N 0 3 342.399 2.063 20 5 EEBDHN CN(C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000353848441 466199688 /nfs/dbraw/zinc/19/96/88/466199688.db2.gz XVRMHXHSFHDCMN-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN O=C(CNC1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000304887124 466319439 /nfs/dbraw/zinc/31/94/39/466319439.db2.gz MMNBDFFILYDLCL-UHFFFAOYSA-N 0 3 327.768 2.081 20 5 EEBDHN Cc1ccc(CN(CCN2CCOCC2)CC2CC2)cc1[N+](=O)[O-] ZINC000597223561 468485293 /nfs/dbraw/zinc/48/52/93/468485293.db2.gz PSHGWBCRCMQNGC-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000368095887 466577653 /nfs/dbraw/zinc/57/76/53/466577653.db2.gz UFFWMKQSJRLBDD-QGZVFWFLSA-N 0 3 328.372 2.261 20 5 EEBDHN CN(C)c1noc([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374532435 466665537 /nfs/dbraw/zinc/66/55/37/466665537.db2.gz WWGRENRQDBXFKS-CQSZACIVSA-N 0 3 345.403 2.466 20 5 EEBDHN N[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423226777 466700692 /nfs/dbraw/zinc/70/06/92/466700692.db2.gz SFCBLWSHQLJVJA-MRXNPFEDSA-N 0 3 333.388 2.092 20 5 EEBDHN O=C1CCCN1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000412057347 466987397 /nfs/dbraw/zinc/98/73/97/466987397.db2.gz QVVXSPSSQUXMRM-HNNXBMFYSA-N 0 3 347.415 2.451 20 5 EEBDHN Cc1[nH+]ccn1CCCCNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000434245488 467384213 /nfs/dbraw/zinc/38/42/13/467384213.db2.gz XEWLSMJHFNMWFI-UHFFFAOYSA-N 0 3 334.380 2.156 20 5 EEBDHN CCC[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116538 467455755 /nfs/dbraw/zinc/45/57/55/467455755.db2.gz IRZIZKBSONOUAL-HIFRSBDPSA-N 0 3 341.433 2.060 20 5 EEBDHN CC(C)c1nc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449404500 467640233 /nfs/dbraw/zinc/64/02/33/467640233.db2.gz CHCRLHMEQKDAMU-NSHDSACASA-N 0 3 346.391 2.343 20 5 EEBDHN Cc1ccc(OCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550084900 468206643 /nfs/dbraw/zinc/20/66/43/468206643.db2.gz CPFVHRNJUPTSOZ-MRXNPFEDSA-N 0 3 346.383 2.312 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594201139 468510370 /nfs/dbraw/zinc/51/03/70/468510370.db2.gz NZCLNSHXLJUQEW-JKSUJKDBSA-N 0 3 333.388 2.107 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594217083 468515921 /nfs/dbraw/zinc/51/59/21/468515921.db2.gz OWHSDBYPZWQSHB-SJORKVTESA-N 0 3 346.431 2.453 20 5 EEBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556690636 468547143 /nfs/dbraw/zinc/54/71/43/468547143.db2.gz XFHHVZOHJWTZFK-LLVKDONJSA-N 0 3 337.767 2.004 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000595046695 468747822 /nfs/dbraw/zinc/74/78/22/468747822.db2.gz NBDHJDIVGVUPKG-NWDGAFQWSA-N 0 3 333.388 2.265 20 5 EEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCO[C@@H]21 ZINC000584323115 468843224 /nfs/dbraw/zinc/84/32/24/468843224.db2.gz YSVYXUVDRJAEDY-FPCVCCKLSA-N 0 3 345.399 2.103 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595454243 468858942 /nfs/dbraw/zinc/85/89/42/468858942.db2.gz FSZKXCCETJGIKX-CVEARBPZSA-N 0 3 337.395 2.467 20 5 EEBDHN COC(=O)c1ccnc(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598632046 468939539 /nfs/dbraw/zinc/93/95/39/468939539.db2.gz ZBFYJLQNDUVFRJ-CHWSQXEVSA-N 0 3 334.376 2.205 20 5 EEBDHN CCOc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000610515366 468991371 /nfs/dbraw/zinc/99/13/71/468991371.db2.gz OSUIOLDXUBLQHR-MRXNPFEDSA-N 0 3 348.447 2.210 20 5 EEBDHN O=[N+]([O-])c1sc(CNCCc2cn[nH]c2)cc1Br ZINC000602669767 469001794 /nfs/dbraw/zinc/00/17/94/469001794.db2.gz JTPWFKAPLIFNMJ-UHFFFAOYSA-N 0 3 331.195 2.474 20 5 EEBDHN COc1ccc(CNC(=O)c2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000595932343 469088885 /nfs/dbraw/zinc/08/88/85/469088885.db2.gz MWTLLFQAGWHQCI-UHFFFAOYSA-N 0 3 341.367 2.179 20 5 EEBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N(CCN1CCCCCC1)C1CCC1 ZINC000573580919 469165968 /nfs/dbraw/zinc/16/59/68/469165968.db2.gz VTXPYRPPHVLUEM-UHFFFAOYSA-N 0 3 335.408 2.189 20 5 EEBDHN CC(C)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395444 469240756 /nfs/dbraw/zinc/24/07/56/469240756.db2.gz MKICXELFKDWGEU-INIZCTEOSA-N 0 3 335.404 2.210 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000603422252 469390895 /nfs/dbraw/zinc/39/08/95/469390895.db2.gz DUUQVTKROMRSEK-MRXNPFEDSA-N 0 3 348.447 2.112 20 5 EEBDHN CC(C)(C(=O)N1CCCN(C2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000609995656 469972893 /nfs/dbraw/zinc/97/28/93/469972893.db2.gz FVRDJZFTKHGEQL-UHFFFAOYSA-N 0 3 349.435 2.003 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](C(C)C)N2CCCC2)c1[N+](=O)[O-] ZINC000598585889 485620168 /nfs/dbraw/zinc/62/01/68/485620168.db2.gz BDEIVWORHHKISG-ZDUSSCGKSA-N 0 3 336.392 2.309 20 5 EEBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000773108249 577316293 /nfs/dbraw/zinc/31/62/93/577316293.db2.gz UTKNWYJOJYMZEL-UHFFFAOYSA-N 0 3 327.388 2.452 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(NC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000765290013 577498660 /nfs/dbraw/zinc/49/86/60/577498660.db2.gz GAWLQFNZEWBIAD-CYBMUJFWSA-N 0 3 333.310 2.076 20 5 EEBDHN CN(CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000756950068 577853687 /nfs/dbraw/zinc/85/36/87/577853687.db2.gz BGTXUXVMDVQWQV-UHFFFAOYSA-N 0 3 326.784 2.142 20 5 EEBDHN C[N@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC000736801536 578224562 /nfs/dbraw/zinc/22/45/62/578224562.db2.gz YBMOFJGWBKDMET-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC000736801536 578224563 /nfs/dbraw/zinc/22/45/63/578224563.db2.gz YBMOFJGWBKDMET-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC000736801536 578224564 /nfs/dbraw/zinc/22/45/64/578224564.db2.gz YBMOFJGWBKDMET-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN C[N@@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC000736801536 578224565 /nfs/dbraw/zinc/22/45/65/578224565.db2.gz YBMOFJGWBKDMET-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000010138592 675930652 /nfs/dbraw/zinc/93/06/52/675930652.db2.gz MWSZDRJCSONHIA-OAHLLOKOSA-N 0 3 342.399 2.080 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001059272269 683867505 /nfs/dbraw/zinc/86/75/05/683867505.db2.gz TXAZRCRHZGUFPL-HAQNSBGRSA-N 0 3 347.350 2.067 20 5 EEBDHN COc1cc(CNC[C@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896594230 685114493 /nfs/dbraw/zinc/11/44/93/685114493.db2.gz GAVNZWLAWACION-LLVKDONJSA-N 0 3 345.346 2.041 20 5 EEBDHN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109729 1201122167 /nfs/dbraw/zinc/12/21/67/1201122167.db2.gz VSTSAWLOYBFVPZ-GZMMTYOYSA-N 0 3 348.808 2.364 20 5 EEBDHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])n2)n1 ZINC000813111169 1201123564 /nfs/dbraw/zinc/12/35/64/1201123564.db2.gz PNYFVYYCLDTHNK-JTQLQIEISA-N 0 3 338.751 2.360 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000813114913 1201124383 /nfs/dbraw/zinc/12/43/83/1201124383.db2.gz XPJIYKCWUUEYRF-LLVKDONJSA-N 0 3 348.359 2.185 20 5 EEBDHN C[C@@H](NCCn1cnc(Br)n1)c1ccc([N+](=O)[O-])cc1 ZINC000932177560 1207554446 /nfs/dbraw/zinc/55/44/46/1207554446.db2.gz CDSSWVFHXNGGKT-SECBINFHSA-N 0 3 340.181 2.300 20 5 EEBDHN CCCN(C)CC(=O)NCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC001101370412 1245727967 /nfs/dbraw/zinc/72/79/67/1245727967.db2.gz XUXYOBBCLHOMKA-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001101810968 1246206910 /nfs/dbraw/zinc/20/69/10/1246206910.db2.gz FBDFCJQDXLOUDE-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN O=C1OCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852723093 1292176280 /nfs/dbraw/zinc/17/62/80/1292176280.db2.gz PCJHBXXVKVRCRJ-UHFFFAOYSA-N 0 3 349.387 2.280 20 5 EEBDHN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CNCc3ccccc32)[nH]1 ZINC001218485618 1297677202 /nfs/dbraw/zinc/67/72/02/1297677202.db2.gz DPLSMEOLSIWLSM-OAHLLOKOSA-N 0 3 338.323 2.467 20 5 EEBDHN COCCN1CCC(Oc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001231055698 1303603077 /nfs/dbraw/zinc/60/30/77/1303603077.db2.gz MJLWBOIOAIBYQF-UHFFFAOYSA-N 0 3 332.360 2.028 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC001111828000 1303956887 /nfs/dbraw/zinc/95/68/87/1303956887.db2.gz LVGNFQDBSMOAMG-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN CN(CCCNC(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001235044133 1305095521 /nfs/dbraw/zinc/09/55/21/1305095521.db2.gz RIBITLYFRFYMOI-UHFFFAOYSA-N 0 3 333.310 2.485 20 5 EEBDHN CN(C)CCN(Cc1ccsc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000838184949 1315141832 /nfs/dbraw/zinc/14/18/32/1315141832.db2.gz BTNCWSPEIURLAZ-UHFFFAOYSA-N 0 3 327.450 2.474 20 5 EEBDHN c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CNCCN4)n3)nc12 ZINC001247717694 1310696512 /nfs/dbraw/zinc/69/65/12/1310696512.db2.gz SOUAKZMXYZTKRV-CQSZACIVSA-N 0 3 332.367 2.067 20 5 EEBDHN C[C@H]1CCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000828840573 1314479276 /nfs/dbraw/zinc/47/92/76/1314479276.db2.gz SHDDKWACFYYANW-ZDUSSCGKSA-N 0 3 333.388 2.158 20 5 EEBDHN O=C(Cc1ccccc1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149692221 1316016029 /nfs/dbraw/zinc/01/60/29/1316016029.db2.gz DLYGSPZLFRHLRB-UHFFFAOYSA-N 0 3 331.347 2.182 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ncccn2)C1 ZINC001254571651 1318125562 /nfs/dbraw/zinc/12/55/62/1318125562.db2.gz ZWVJKVYFSJCMMA-DZGCQCFKSA-N 0 3 328.372 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(Cc3ccccn3)cn1)C2 ZINC001254585189 1318133140 /nfs/dbraw/zinc/13/31/40/1318133140.db2.gz BVZIWPRTAHIIAY-KRWDZBQOSA-N 0 3 349.394 2.492 20 5 EEBDHN CCOC(=O)C1=C(Nc2nccc3ccc([N+](=O)[O-])cc32)CCNC1 ZINC001159452997 1319812053 /nfs/dbraw/zinc/81/20/53/1319812053.db2.gz CRSWLFUOTOQOQI-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2CN)n1 ZINC001160337464 1320137974 /nfs/dbraw/zinc/13/79/74/1320137974.db2.gz DSUHJBIASUYQNK-UHFFFAOYSA-N 0 3 345.750 2.053 20 5 EEBDHN COc1cc(-c2nc([C@H]3CN4CCC3CC4)no2)ccc1[N+](=O)[O-] ZINC001320209544 1332848443 /nfs/dbraw/zinc/84/84/43/1332848443.db2.gz LGTXTLRKOQAFEA-LBPRGKRZSA-N 0 3 330.344 2.463 20 5 EEBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001338551021 1336875481 /nfs/dbraw/zinc/87/54/81/1336875481.db2.gz LXAJGPOUQNLJIT-UONOGXRCSA-N 0 3 331.372 2.470 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078072 1350634534 /nfs/dbraw/zinc/63/45/34/1350634534.db2.gz SBRMMLQRNVHGRW-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603078072 1350634538 /nfs/dbraw/zinc/63/45/38/1350634538.db2.gz SBRMMLQRNVHGRW-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078072 1350634540 /nfs/dbraw/zinc/63/45/40/1350634540.db2.gz SBRMMLQRNVHGRW-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603078072 1350634544 /nfs/dbraw/zinc/63/45/44/1350634544.db2.gz SBRMMLQRNVHGRW-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001603223403 1350665624 /nfs/dbraw/zinc/66/56/24/1350665624.db2.gz LWOAJNVJZVESDT-OAHLLOKOSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001603223403 1350665628 /nfs/dbraw/zinc/66/56/28/1350665628.db2.gz LWOAJNVJZVESDT-OAHLLOKOSA-N 0 3 345.407 2.307 20 5 EEBDHN CCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604219080 1350895994 /nfs/dbraw/zinc/89/59/94/1350895994.db2.gz BDOFUTYIXMRTSW-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CCC[N@H+]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604219080 1350895998 /nfs/dbraw/zinc/89/59/98/1350895998.db2.gz BDOFUTYIXMRTSW-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604219080 1350896004 /nfs/dbraw/zinc/89/60/04/1350896004.db2.gz BDOFUTYIXMRTSW-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CCC[N@H+]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604219080 1350896006 /nfs/dbraw/zinc/89/60/06/1350896006.db2.gz BDOFUTYIXMRTSW-LBPRGKRZSA-N 0 3 331.380 2.061 20 5 EEBDHN CCn1cnc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001752097802 1406209639 /nfs/dbraw/zinc/20/96/39/1406209639.db2.gz BBCQNVKBUYTHKM-UHFFFAOYSA-N 0 3 345.403 2.063 20 5 EEBDHN CCCN(C)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091470910 790930826 /nfs/dbraw/zinc/93/08/26/790930826.db2.gz LGBIFLALLRONBJ-HDJSIYSDSA-N 0 3 334.420 2.243 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC000820716448 786434322 /nfs/dbraw/zinc/43/43/22/786434322.db2.gz XQTXPOHBOLRTGL-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN CC1(C)CCN(CC(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001107513842 787470968 /nfs/dbraw/zinc/47/09/68/787470968.db2.gz OUUBVOQLFBZZGZ-ARJAWSKDSA-N 0 3 346.431 2.411 20 5 EEBDHN CN(CCN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000845766585 789937917 /nfs/dbraw/zinc/93/79/17/789937917.db2.gz GGDGANUBSBNLMO-UHFFFAOYSA-N 0 3 332.404 2.402 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC001127234550 792747846 /nfs/dbraw/zinc/74/78/46/792747846.db2.gz BKAIKKBIDMVLKY-UHFFFAOYSA-N 0 3 343.387 2.036 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110194573 798401891 /nfs/dbraw/zinc/40/18/91/798401891.db2.gz QFEPXSVBGYUINC-UHFFFAOYSA-N 0 3 347.350 2.069 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)c1ccco1 ZINC001177771362 799109247 /nfs/dbraw/zinc/10/92/47/799109247.db2.gz FZSVLNOCSYYSGF-UHFFFAOYSA-N 0 3 349.391 2.001 20 5 EEBDHN CC(C)(C)OC(=O)N[C@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037534 803581498 /nfs/dbraw/zinc/58/14/98/803581498.db2.gz SBUBPQQEXPUUDO-FQUUOJAGSA-N 0 3 345.415 2.369 20 5 EEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000804561891 810931057 /nfs/dbraw/zinc/93/10/57/810931057.db2.gz SZEUQHPDXGHHRC-GFCCVEGCSA-N 0 3 336.348 2.168 20 5 EEBDHN CCOC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515770090 1118984452 /nfs/dbraw/zinc/98/44/52/1118984452.db2.gz XSQUAELCIQJNJG-LEJCRSTHSA-N 0 3 339.319 2.274 20 5 EEBDHN N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422936841 240299132 /nfs/dbraw/zinc/29/91/32/240299132.db2.gz MZXYDCRJPGIZGU-AWEZNQCLSA-N 0 3 334.420 2.421 20 5 EEBDHN C[C@H]1CN(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542803 243151825 /nfs/dbraw/zinc/15/18/25/243151825.db2.gz AFZWQBIWXHZHRK-DOTOQJQBSA-N 0 3 333.432 2.495 20 5 EEBDHN Cc1cc(C(=O)NCc2cccc(CN(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000104837334 204123899 /nfs/dbraw/zinc/12/38/99/204123899.db2.gz MPANGRHKGXYEPZ-UHFFFAOYSA-N 0 3 342.399 2.477 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264132955 246094132 /nfs/dbraw/zinc/09/41/32/246094132.db2.gz ZBTYLTKELHDVSY-UHFFFAOYSA-N 0 3 330.388 2.490 20 5 EEBDHN COC(=O)[C@@H]1CC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265020854 247141081 /nfs/dbraw/zinc/14/10/81/247141081.db2.gz HBQMUCUPPIMUFI-ZDUSSCGKSA-N 0 3 334.372 2.249 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000265781503 247789307 /nfs/dbraw/zinc/78/93/07/247789307.db2.gz KDAOBDOFOLRHJU-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000267522234 256065967 /nfs/dbraw/zinc/06/59/67/256065967.db2.gz GQPDXWCQJSOUML-KGLIPLIRSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN1C1CC1 ZINC000267991557 256103289 /nfs/dbraw/zinc/10/32/89/256103289.db2.gz QDSILANTCNOITP-GHMZBOCLSA-N 0 3 328.372 2.431 20 5 EEBDHN CN1CCC(Nc2ccccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270827694 256176596 /nfs/dbraw/zinc/17/65/96/256176596.db2.gz SITPSIPFTLNVJD-UHFFFAOYSA-N 0 3 344.375 2.076 20 5 EEBDHN CN(C)CC(C)(C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271329862 256234212 /nfs/dbraw/zinc/23/42/12/256234212.db2.gz VQEGTVPXGIMVOD-UHFFFAOYSA-N 0 3 335.451 2.060 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000273327159 256287330 /nfs/dbraw/zinc/28/73/30/256287330.db2.gz YGNLXGSLVYEMNV-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN C[C@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@H]1C1CC1 ZINC000273071102 256262524 /nfs/dbraw/zinc/26/25/24/256262524.db2.gz OJLDAUVQKXUVNN-ROUUACIJSA-N 0 3 345.399 2.031 20 5 EEBDHN CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273506721 256302215 /nfs/dbraw/zinc/30/22/15/256302215.db2.gz NATCHHOQLFWUOE-JKSUJKDBSA-N 0 3 349.456 2.176 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014981 256345956 /nfs/dbraw/zinc/34/59/56/256345956.db2.gz MBVKOZHEGLBEOZ-UTUOFQBUSA-N 0 3 337.376 2.099 20 5 EEBDHN COc1ccc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511293 286354043 /nfs/dbraw/zinc/35/40/43/286354043.db2.gz OIYWFYOVRZPNPA-CYBMUJFWSA-N 0 3 331.372 2.458 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389123 154174956 /nfs/dbraw/zinc/17/49/56/154174956.db2.gz FULRDBAIAFUYAK-PBHICJAKSA-N 0 3 349.387 2.089 20 5 EEBDHN CN(CCN1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129253562 292354958 /nfs/dbraw/zinc/35/49/58/292354958.db2.gz KVPAIAJRUGJVEE-UHFFFAOYSA-N 0 3 330.388 2.173 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000073995305 159059639 /nfs/dbraw/zinc/05/96/39/159059639.db2.gz LOMYPIFSWYHZQM-UONOGXRCSA-N 0 3 333.388 2.059 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246430541 160278741 /nfs/dbraw/zinc/27/87/41/160278741.db2.gz AYTHYULRWZLPCM-BBRMVZONSA-N 0 3 336.388 2.483 20 5 EEBDHN Cc1nccn1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342858578 161096121 /nfs/dbraw/zinc/09/61/21/161096121.db2.gz AZNBYGVJUGNKOI-AWEZNQCLSA-N 0 3 330.392 2.071 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343542636 161145221 /nfs/dbraw/zinc/14/52/21/161145221.db2.gz YPXWIFXJRPACNT-DOMZBBRYSA-N 0 3 330.388 2.148 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000344845200 161250567 /nfs/dbraw/zinc/25/05/67/161250567.db2.gz ZOCVYHHWCCFHOG-KGLIPLIRSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819647 164385356 /nfs/dbraw/zinc/38/53/56/164385356.db2.gz SXBZUXSTAAXMIK-BLLLJJGKSA-N 0 3 328.372 2.173 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C4(CC4)C3)o2)c1 ZINC000364317698 165092592 /nfs/dbraw/zinc/09/25/92/165092592.db2.gz OTISFLUMUZPPLM-HNNXBMFYSA-N 0 3 329.356 2.249 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375905628 167223668 /nfs/dbraw/zinc/22/36/68/167223668.db2.gz MZKZKAHOFOAPDF-GOSISDBHSA-N 0 3 332.448 2.195 20 5 EEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000277443016 269156845 /nfs/dbraw/zinc/15/68/45/269156845.db2.gz FQBGEDRPLNZUIC-ZDUSSCGKSA-N 0 3 347.371 2.070 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N(C)C1CC1 ZINC000279539205 269286489 /nfs/dbraw/zinc/28/64/89/269286489.db2.gz WQXPSWVXJLYADV-JTQLQIEISA-N 0 3 338.383 2.012 20 5 EEBDHN CO[C@H]1C[C@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])N(C)C1 ZINC000345129589 274084708 /nfs/dbraw/zinc/08/47/08/274084708.db2.gz GRTBXYAJKIRVIV-NEPJUHHUSA-N 0 3 327.812 2.399 20 5 EEBDHN O=C1[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757705 275030533 /nfs/dbraw/zinc/03/05/33/275030533.db2.gz FPVYDASFGWSRKT-HZMVEIRTSA-N 0 3 345.399 2.247 20 5 EEBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000311094640 275041194 /nfs/dbraw/zinc/04/11/94/275041194.db2.gz ZNKIXGZZHMLBER-CVEARBPZSA-N 0 3 339.399 2.343 20 5 EEBDHN CCN(CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290503911 275213300 /nfs/dbraw/zinc/21/33/00/275213300.db2.gz DPTRZJLGVJFQND-LBPRGKRZSA-N 0 3 347.375 2.177 20 5 EEBDHN COCCCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291151550 275275986 /nfs/dbraw/zinc/27/59/86/275275986.db2.gz JQKRVOWLHFPTPK-UHFFFAOYSA-N 0 3 341.433 2.229 20 5 EEBDHN O=C(CCN1CC[C@@H](n2cccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291389491 275300677 /nfs/dbraw/zinc/30/06/77/275300677.db2.gz BHSUPMXHYATXTE-CYBMUJFWSA-N 0 3 347.350 2.206 20 5 EEBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000362392833 276890997 /nfs/dbraw/zinc/89/09/97/276890997.db2.gz UHUDYJHXVVFECT-UHFFFAOYSA-N 0 3 348.359 2.203 20 5 EEBDHN CN1CC[C@@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000488713371 277161212 /nfs/dbraw/zinc/16/12/12/277161212.db2.gz COWWWWXOJLQSAS-MRXNPFEDSA-N 0 3 329.360 2.177 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C[S@](C)=O ZINC000362073489 279247119 /nfs/dbraw/zinc/24/71/19/279247119.db2.gz XBGFILVXYLJPNG-WCBZVUCDSA-N 0 3 341.433 2.011 20 5 EEBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374811915 289904682 /nfs/dbraw/zinc/90/46/82/289904682.db2.gz POXNNYIGGKYEQJ-UHFFFAOYSA-N 0 3 336.367 2.017 20 5 EEBDHN COc1cccc(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194126330 295287871 /nfs/dbraw/zinc/28/78/71/295287871.db2.gz PWMJQGALIUSLAL-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CO[C@@H]([C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185245 312979588 /nfs/dbraw/zinc/97/95/88/312979588.db2.gz OIAOHLMXMKXRHO-XZJROXQQSA-N 0 3 333.388 2.103 20 5 EEBDHN CC(C)(CCNC/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000414518543 313036353 /nfs/dbraw/zinc/03/63/53/313036353.db2.gz VDDANKLQCNWBGO-SOFGYWHQSA-N 0 3 326.418 2.411 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415572471 313146636 /nfs/dbraw/zinc/14/66/36/313146636.db2.gz BHBZAMFZRIAICC-AAEUAGOBSA-N 0 3 336.392 2.446 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000421703684 314144870 /nfs/dbraw/zinc/14/48/70/314144870.db2.gz MTKZJEZXJDWJTJ-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000421780043 314163258 /nfs/dbraw/zinc/16/32/58/314163258.db2.gz QGPWWRWGKSGSEI-MRXNPFEDSA-N 0 3 337.445 2.379 20 5 EEBDHN C[C@@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995047 316944662 /nfs/dbraw/zinc/94/46/62/316944662.db2.gz CVTBWKJTZYPGOJ-CHWSQXEVSA-N 0 3 326.418 2.394 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000542910178 318147110 /nfs/dbraw/zinc/14/71/10/318147110.db2.gz PPRSPXOQKZFXBE-MRXNPFEDSA-N 0 3 335.404 2.373 20 5 EEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417290 318187347 /nfs/dbraw/zinc/18/73/47/318187347.db2.gz SCBSHYVVKBQTJU-SMDDNHRTSA-N 0 3 339.392 2.191 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563262441 318990189 /nfs/dbraw/zinc/99/01/89/318990189.db2.gz ZRPGJNVRMJSMIO-LBPRGKRZSA-N 0 3 333.388 2.094 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792211 319110373 /nfs/dbraw/zinc/11/03/73/319110373.db2.gz CXWZZDMRXHCJFA-WPKBUWHJSA-N 0 3 344.367 2.446 20 5 EEBDHN C[C@H]1NCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C ZINC000565481848 319186802 /nfs/dbraw/zinc/18/68/02/319186802.db2.gz IAURUDRTXOBHCN-ZIAGYGMSSA-N 0 3 346.431 2.020 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCC2(F)F)cc1 ZINC000566119822 319247716 /nfs/dbraw/zinc/24/77/16/319247716.db2.gz FINLQHMGPDQJNJ-LLVKDONJSA-N 0 3 348.371 2.394 20 5 EEBDHN CN(CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000574308706 320014542 /nfs/dbraw/zinc/01/45/42/320014542.db2.gz ORIDDTLNVAEAPD-KRWDZBQOSA-N 0 3 345.399 2.061 20 5 EEBDHN O=C(CCC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576908161 320214359 /nfs/dbraw/zinc/21/43/59/320214359.db2.gz NTWMEURNPWCXHE-MRXNPFEDSA-N 0 3 345.399 2.254 20 5 EEBDHN COc1ccc(CNCCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000578107585 320294338 /nfs/dbraw/zinc/29/43/38/320294338.db2.gz PUJWDOUUCULQCF-UHFFFAOYSA-N 0 3 330.344 2.117 20 5 EEBDHN Cc1c(CNC(=O)c2cccc3c2CCNC3)cccc1[N+](=O)[O-] ZINC000326212190 465036198 /nfs/dbraw/zinc/03/61/98/465036198.db2.gz PVDZMMATNJISMB-UHFFFAOYSA-N 0 3 325.368 2.479 20 5 EEBDHN CN(C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000295983530 465041362 /nfs/dbraw/zinc/04/13/62/465041362.db2.gz ONCIMDLOTKLBRP-UHFFFAOYSA-N 0 3 333.388 2.158 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032830 465057351 /nfs/dbraw/zinc/05/73/51/465057351.db2.gz ZUVRIFKRBFPZEM-BBRMVZONSA-N 0 3 347.415 2.356 20 5 EEBDHN CO[C@@]1(C)C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036340 465059043 /nfs/dbraw/zinc/05/90/43/465059043.db2.gz FBIFNVCIUXELDF-YOEHRIQHSA-N 0 3 335.404 2.351 20 5 EEBDHN CCO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160521 465098614 /nfs/dbraw/zinc/09/86/14/465098614.db2.gz KMISOORIISVWRA-JKSUJKDBSA-N 0 3 347.415 2.495 20 5 EEBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C ZINC000114377928 462641733 /nfs/dbraw/zinc/64/17/33/462641733.db2.gz ASIZXQDHOVPIEX-CQSZACIVSA-N 0 3 338.364 2.209 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268840 462833269 /nfs/dbraw/zinc/83/32/69/462833269.db2.gz VLRAQTLTJMTWPU-YPMHNXCESA-N 0 3 328.376 2.214 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065892024 462837143 /nfs/dbraw/zinc/83/71/43/462837143.db2.gz YGLSHOPTMQXIHY-KGLIPLIRSA-N 0 3 334.420 2.243 20 5 EEBDHN CCOc1cc(NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092606990 462964485 /nfs/dbraw/zinc/96/44/85/462964485.db2.gz PONCNEAZGFUSGN-UHFFFAOYSA-N 0 3 336.436 2.433 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC(F)F ZINC000092628228 462967684 /nfs/dbraw/zinc/96/76/84/462967684.db2.gz ZBLPAYQRVRBRSG-NEPJUHHUSA-N 0 3 343.330 2.471 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068135023 463097106 /nfs/dbraw/zinc/09/71/06/463097106.db2.gz QOVBVRUHBGXANW-MRXNPFEDSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000052641248 463098321 /nfs/dbraw/zinc/09/83/21/463098321.db2.gz NTEJLXNYRXYMRH-GFCCVEGCSA-N 0 3 332.404 2.383 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000068614019 463160258 /nfs/dbraw/zinc/16/02/58/463160258.db2.gz IKLSUZPIDUUMDN-UHFFFAOYSA-N 0 3 345.403 2.262 20 5 EEBDHN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCC1 ZINC000079943945 463263154 /nfs/dbraw/zinc/26/31/54/463263154.db2.gz KQSJUTYOXBMOQG-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCN(C)C)CC1 ZINC000080391713 463313476 /nfs/dbraw/zinc/31/34/76/463313476.db2.gz GNUCJPOQUKPIIK-UHFFFAOYSA-N 0 3 348.447 2.465 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000072637087 463528630 /nfs/dbraw/zinc/52/86/30/463528630.db2.gz ZWJADRJWEGKQBB-HOTGVXAUSA-N 0 3 332.448 2.368 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000287182056 463826390 /nfs/dbraw/zinc/82/63/90/463826390.db2.gz TYUJLDUJDCNBEP-DZGCQCFKSA-N 0 3 346.431 2.404 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283623111 463947532 /nfs/dbraw/zinc/94/75/32/463947532.db2.gz STHOLZSQMXGNIJ-AWEZNQCLSA-N 0 3 348.447 2.483 20 5 EEBDHN CC1(C)OCc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000186397323 463991130 /nfs/dbraw/zinc/99/11/30/463991130.db2.gz JDHVDWLJBILZIR-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235064 464073857 /nfs/dbraw/zinc/07/38/57/464073857.db2.gz JLSONIWPZOABDL-ZWNOBZJWSA-N 0 3 341.795 2.327 20 5 EEBDHN Cc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000179625278 464165361 /nfs/dbraw/zinc/16/53/61/464165361.db2.gz NFRUUAFTZCVYPL-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188037964 464186291 /nfs/dbraw/zinc/18/62/91/464186291.db2.gz YZHSBIIIBLSJHZ-SMDDNHRTSA-N 0 3 335.404 2.324 20 5 EEBDHN CC(C)[C@@H](CNCc1csc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000236701606 464219893 /nfs/dbraw/zinc/21/98/93/464219893.db2.gz DZPIYQIEVDPKRU-CQSZACIVSA-N 0 3 326.466 2.018 20 5 EEBDHN CS(=O)(=O)C1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000281277709 464396965 /nfs/dbraw/zinc/39/69/65/464396965.db2.gz XIWGZZQNEWGULY-AWEZNQCLSA-N 0 3 338.429 2.083 20 5 EEBDHN NC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237950376 464409044 /nfs/dbraw/zinc/40/90/44/464409044.db2.gz FCBTVEYTTOYGAT-OAHLLOKOSA-N 0 3 349.434 2.495 20 5 EEBDHN CN(C)CC(C)(C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294381528 464484519 /nfs/dbraw/zinc/48/45/19/464484519.db2.gz KWDFXDPIXYAZCB-UHFFFAOYSA-N 0 3 335.404 2.262 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000189441258 464505516 /nfs/dbraw/zinc/50/55/16/464505516.db2.gz KNDGGRPWCUPJCG-CQSZACIVSA-N 0 3 336.436 2.289 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000281632200 464528308 /nfs/dbraw/zinc/52/83/08/464528308.db2.gz QOYRHWWWBXKUFS-LSDHHAIUSA-N 0 3 349.431 2.471 20 5 EEBDHN CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000175396780 464540884 /nfs/dbraw/zinc/54/08/84/464540884.db2.gz CAERRBIDHZIMLZ-UHFFFAOYSA-N 0 3 341.795 2.228 20 5 EEBDHN CCO[C@H]1C[C@](CO)(NCCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013723 464586421 /nfs/dbraw/zinc/58/64/21/464586421.db2.gz ORFOBWPFFFMVPS-DOTOQJQBSA-N 0 3 338.404 2.129 20 5 EEBDHN CCN1CCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499957 464634659 /nfs/dbraw/zinc/63/46/59/464634659.db2.gz GREISIWGNBMNAH-SJORKVTESA-N 0 3 343.431 2.492 20 5 EEBDHN CC(C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000272550919 464656341 /nfs/dbraw/zinc/65/63/41/464656341.db2.gz WNVMGYXPXICBLX-CQSZACIVSA-N 0 3 327.812 2.493 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCN(CCCO)C1 ZINC000295183573 464736332 /nfs/dbraw/zinc/73/63/32/464736332.db2.gz WEPFVWCVSONJIL-AWEZNQCLSA-N 0 3 327.812 2.185 20 5 EEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)Cc1ccccc1 ZINC000176608180 464810380 /nfs/dbraw/zinc/81/03/80/464810380.db2.gz IIGSBEUQCOLOLF-ZDUSSCGKSA-N 0 3 342.399 2.427 20 5 EEBDHN COc1cccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000248861443 464812646 /nfs/dbraw/zinc/81/26/46/464812646.db2.gz METACXBSIOXKGM-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000286592965 464972249 /nfs/dbraw/zinc/97/22/49/464972249.db2.gz XDNQPFSFYNCZKH-UHFFFAOYSA-N 0 3 345.403 2.413 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@@H]1C ZINC000351891654 465421411 /nfs/dbraw/zinc/42/14/11/465421411.db2.gz YHXUCSXJSCSBHT-NWDGAFQWSA-N 0 3 349.387 2.316 20 5 EEBDHN COCCN(C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298605270 465447989 /nfs/dbraw/zinc/44/79/89/465447989.db2.gz HUZZJORQVMZIGO-UHFFFAOYSA-N 0 3 335.360 2.039 20 5 EEBDHN N[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275507 468435464 /nfs/dbraw/zinc/43/54/64/468435464.db2.gz NPYRKLLHKMLFLA-AWEZNQCLSA-N 0 3 329.356 2.156 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361860 465519114 /nfs/dbraw/zinc/51/91/14/465519114.db2.gz SOWYZVLSPOZLNY-AWEZNQCLSA-N 0 3 343.431 2.581 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360234124 465546372 /nfs/dbraw/zinc/54/63/72/465546372.db2.gz LVKMUIVERJKYTE-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)N(C)C ZINC000360631998 465586478 /nfs/dbraw/zinc/58/64/78/465586478.db2.gz GXQQANPIPNWYHS-ZDUSSCGKSA-N 0 3 330.388 2.931 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000299223653 465654112 /nfs/dbraw/zinc/65/41/12/465654112.db2.gz ONUXGASVHANPGU-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000353504602 465939029 /nfs/dbraw/zinc/93/90/29/465939029.db2.gz SHQGYPQSRSVWMR-CXAGYDPISA-N 0 3 343.431 2.490 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000366801658 465943701 /nfs/dbraw/zinc/94/37/01/465943701.db2.gz FBXKSIDSAXDEDN-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN Cc1c(Br)cc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346180102 465969355 /nfs/dbraw/zinc/96/93/55/465969355.db2.gz LSTVNXBILSRNCK-MRVPVSSYSA-N 0 3 344.209 2.346 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209463 465993821 /nfs/dbraw/zinc/99/38/21/465993821.db2.gz XSJJYTNSIDSMSW-ZQIUZPCESA-N 0 3 346.431 2.195 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357384489 465994379 /nfs/dbraw/zinc/99/43/79/465994379.db2.gz FGJVGVGVRBKZGJ-ZFWWWQNUSA-N 0 3 334.420 2.386 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346229316 466010280 /nfs/dbraw/zinc/01/02/80/466010280.db2.gz LUSUMMVUSKATDC-HWWQOWPSSA-N 0 3 332.404 2.101 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000331371062 466053581 /nfs/dbraw/zinc/05/35/81/466053581.db2.gz DNLLKHPJYNMCMS-UWVGGRQHSA-N 0 3 339.342 2.157 20 5 EEBDHN COC(=O)COc1ccc(CNCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000353784305 466144713 /nfs/dbraw/zinc/14/47/13/466144713.db2.gz YJUDJBJLDQPUHA-UHFFFAOYSA-N 0 3 336.266 2.189 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C[NH3+])cc2)cc1C ZINC000325221474 466655530 /nfs/dbraw/zinc/65/55/30/466655530.db2.gz OYMHVPPAYKAEAW-UHFFFAOYSA-N 0 3 349.412 2.149 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192134 466740449 /nfs/dbraw/zinc/74/04/49/466740449.db2.gz VIJOSQPDDXFBDB-FSBGKCOPSA-N 0 3 349.387 2.088 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412242362 467048606 /nfs/dbraw/zinc/04/86/06/467048606.db2.gz DCVORKRDGPLQKB-LLLHUVSDSA-N 0 3 329.400 2.251 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429318399 467324912 /nfs/dbraw/zinc/32/49/12/467324912.db2.gz RFSJDFDBGZJNNX-CYBMUJFWSA-N 0 3 341.367 2.304 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000430228213 467409605 /nfs/dbraw/zinc/40/96/05/467409605.db2.gz RNARUGXHPANUPG-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000430228213 467409610 /nfs/dbraw/zinc/40/96/10/467409610.db2.gz RNARUGXHPANUPG-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000430228213 467409615 /nfs/dbraw/zinc/40/96/15/467409615.db2.gz RNARUGXHPANUPG-ZDUSSCGKSA-N 0 3 331.376 2.410 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCC(=O)NCCN2CCCCCC2)c1 ZINC000431503044 467520686 /nfs/dbraw/zinc/52/06/86/467520686.db2.gz USOZPTVIHPEOMN-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN COC(=O)COc1ccc(CNCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000449354753 467632918 /nfs/dbraw/zinc/63/29/18/467632918.db2.gz RAADHARXLKKGIE-UHFFFAOYSA-N 0 3 332.303 2.282 20 5 EEBDHN CC(COC(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496572198 467654672 /nfs/dbraw/zinc/65/46/72/467654672.db2.gz PMLNDYFYYRAOLH-NWDGAFQWSA-N 0 3 330.381 2.375 20 5 EEBDHN Cn1cc(CNC[C@H](O)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449739324 467703551 /nfs/dbraw/zinc/70/35/51/467703551.db2.gz KFFGDEJZWIDZMY-INIZCTEOSA-N 0 3 330.388 2.246 20 5 EEBDHN CO[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000487977683 468064284 /nfs/dbraw/zinc/06/42/84/468064284.db2.gz WJQABQQZKNIXAM-HOTGVXAUSA-N 0 3 347.371 2.138 20 5 EEBDHN CC(C)(NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000489032879 468116796 /nfs/dbraw/zinc/11/67/96/468116796.db2.gz BQICHWZMRCHUAK-LBPRGKRZSA-N 0 3 332.404 2.366 20 5 EEBDHN NC(=O)Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000589320694 468143109 /nfs/dbraw/zinc/14/31/09/468143109.db2.gz DYIWLHAACVOSKN-HWKANZROSA-N 0 3 325.368 2.426 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594199289 468510173 /nfs/dbraw/zinc/51/01/73/468510173.db2.gz JJWUDGSQWXHAPG-HOTGVXAUSA-N 0 3 333.388 2.107 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCC(O)CC1 ZINC000595018559 468743849 /nfs/dbraw/zinc/74/38/49/468743849.db2.gz RVHRMDQGHPCCCM-ZDUSSCGKSA-N 0 3 337.420 2.101 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000598265480 468811919 /nfs/dbraw/zinc/81/19/19/468811919.db2.gz TXMGLEXPAHZACP-GFCCVEGCSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1cc(C)ccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584405612 468863519 /nfs/dbraw/zinc/86/35/19/468863519.db2.gz QVUALIUTMMBGRO-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569227 468917892 /nfs/dbraw/zinc/91/78/92/468917892.db2.gz BXDWEQINBSPZPI-OAHLLOKOSA-N 0 3 333.388 2.014 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000598573877 468919420 /nfs/dbraw/zinc/91/94/20/468919420.db2.gz QOWKGVZVJLIILO-AWEZNQCLSA-N 0 3 328.372 2.213 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000598627540 468937725 /nfs/dbraw/zinc/93/77/25/468937725.db2.gz HKHIGVDQFDNFSA-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CCOc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515202 468991203 /nfs/dbraw/zinc/99/12/03/468991203.db2.gz BGOSONPUCRNHNE-GOEBONIOSA-N 0 3 335.404 2.029 20 5 EEBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602684915 469010051 /nfs/dbraw/zinc/01/00/51/469010051.db2.gz AMMVHIHGGXVMES-KCJUWKMLSA-N 0 3 331.294 2.357 20 5 EEBDHN COC(=O)[C@H](C)[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794321 469078592 /nfs/dbraw/zinc/07/85/92/469078592.db2.gz VIQHTVBGUBCCJP-WBMJQRKESA-N 0 3 346.387 2.240 20 5 EEBDHN CCN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000593689634 469096932 /nfs/dbraw/zinc/09/69/32/469096932.db2.gz PTIWNEICHPTUHK-SNVBAGLBSA-N 0 3 343.330 2.154 20 5 EEBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000588315957 469138512 /nfs/dbraw/zinc/13/85/12/469138512.db2.gz LYDHILUODNNIOP-HNNXBMFYSA-N 0 3 330.388 2.162 20 5 EEBDHN CCn1nccc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596095982 469152885 /nfs/dbraw/zinc/15/28/85/469152885.db2.gz SNRSVTYFXDLXHG-GFCCVEGCSA-N 0 3 331.376 2.318 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000602233193 469250766 /nfs/dbraw/zinc/25/07/66/469250766.db2.gz VQFUMDYDKBMWNR-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN O=C(CCN1CCC[C@@H](n2ccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157461 469898584 /nfs/dbraw/zinc/89/85/84/469898584.db2.gz RUIBLBADMCYVER-CQSZACIVSA-N 0 3 343.387 2.457 20 5 EEBDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336042 470005099 /nfs/dbraw/zinc/00/50/99/470005099.db2.gz YRJNQHJJTYNZHL-OAHLLOKOSA-N 0 3 348.403 2.119 20 5 EEBDHN COc1ccc(CC(=O)NC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000727673543 576443406 /nfs/dbraw/zinc/44/34/06/576443406.db2.gz QHPINNLFVLQFHW-ZDUSSCGKSA-N 0 3 335.404 2.137 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCN2CCc3ccccc3C2)cc1 ZINC000776278163 577456550 /nfs/dbraw/zinc/45/65/50/577456550.db2.gz SIPGFESOFIJMDG-LJQANCHMSA-N 0 3 341.411 2.276 20 5 EEBDHN Cc1nn(CN2CCN(C)C[C@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765013414 577492866 /nfs/dbraw/zinc/49/28/66/577492866.db2.gz HFECBTCTJVPQEN-KRWDZBQOSA-N 0 3 331.420 2.482 20 5 EEBDHN Cc1nn(CN2CC[C@@H](C3CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000754779533 577812827 /nfs/dbraw/zinc/81/28/27/577812827.db2.gz XDKNDNXMNIVEQW-CQSZACIVSA-N 0 3 345.403 2.354 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1COC(C)(C)OC1 ZINC000757706180 577862814 /nfs/dbraw/zinc/86/28/14/577862814.db2.gz VEKBIRSJPSJWSH-LLVKDONJSA-N 0 3 337.376 2.053 20 5 EEBDHN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824400847 609605681 /nfs/dbraw/zinc/60/56/81/609605681.db2.gz LNFHXKNGYQCHSC-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824400847 609605683 /nfs/dbraw/zinc/60/56/83/609605683.db2.gz LNFHXKNGYQCHSC-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001022881188 678711039 /nfs/dbraw/zinc/71/10/39/678711039.db2.gz FIPCZEZUOKRNOU-TXEJJXNPSA-N 0 3 332.385 2.102 20 5 EEBDHN COc1c(O)ccc(CNC[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000892509658 681316371 /nfs/dbraw/zinc/31/63/71/681316371.db2.gz KCYUUADQPWGEPE-ZDUSSCGKSA-N 0 3 330.340 2.402 20 5 EEBDHN Cc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108300844 681654769 /nfs/dbraw/zinc/65/47/69/681654769.db2.gz SAMDDEFPQPMNRL-LBPRGKRZSA-N 0 3 348.359 2.026 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCC(O)CC1 ZINC000872077442 1198042118 /nfs/dbraw/zinc/04/21/18/1198042118.db2.gz IIMBHDPWERQDCX-GFCCVEGCSA-N 0 3 339.461 2.424 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ocnc1C(F)F ZINC001133924959 1199174577 /nfs/dbraw/zinc/17/45/77/1199174577.db2.gz BLQRURVZZFWRRM-UHFFFAOYSA-N 0 3 340.286 2.040 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[N+](=O)[O-] ZINC000813102116 1201097190 /nfs/dbraw/zinc/09/71/90/1201097190.db2.gz BJJXAVNSKHNFSD-QMMMGPOBSA-N 0 3 329.740 2.256 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295696 1201486415 /nfs/dbraw/zinc/48/64/15/1201486415.db2.gz APTUDYUKWFNJKB-QWRGUYRKSA-N 0 3 332.397 2.078 20 5 EEBDHN C[NH+](C)Cc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212844532 1204434961 /nfs/dbraw/zinc/43/49/61/1204434961.db2.gz YUKQMZPFUGBXAV-UHFFFAOYSA-N 0 3 341.327 2.474 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778265259 1208021839 /nfs/dbraw/zinc/02/18/39/1208021839.db2.gz VKBIQYZDBQDUGP-UHFFFAOYSA-N 0 3 337.405 2.013 20 5 EEBDHN Cc1cc(NC2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001057334744 1243338198 /nfs/dbraw/zinc/33/81/98/1243338198.db2.gz AQLFIWFRKWVTQD-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1F ZINC000852008030 1291950815 /nfs/dbraw/zinc/95/08/15/1291950815.db2.gz DJDYJBUNRQBTET-OAHLLOKOSA-N 0 3 337.395 2.421 20 5 EEBDHN CC([C@H](OC(=O)c1cn(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000860854449 1295142534 /nfs/dbraw/zinc/14/25/34/1295142534.db2.gz AERCCFQIMINKNF-XPTSAGLGSA-N 0 3 334.307 2.315 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000861036985 1295226632 /nfs/dbraw/zinc/22/66/32/1295226632.db2.gz VNYAJRHRKHUVAX-HNNXBMFYSA-N 0 3 336.388 2.100 20 5 EEBDHN N[C@H](Cc1c[nH]cn1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979036 1297888954 /nfs/dbraw/zinc/88/89/54/1297888954.db2.gz GZWAWKVOKAECPV-CQSZACIVSA-N 0 3 332.367 2.015 20 5 EEBDHN N[C@H](Cc1cnc[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979036 1297888966 /nfs/dbraw/zinc/88/89/66/1297888966.db2.gz GZWAWKVOKAECPV-CQSZACIVSA-N 0 3 332.367 2.015 20 5 EEBDHN COc1ccc(COC[C@H](O)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC001120556279 1309608980 /nfs/dbraw/zinc/60/89/80/1309608980.db2.gz UHQFQLGVTGOFKP-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN CC(C)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843086857 1315838153 /nfs/dbraw/zinc/83/81/53/1315838153.db2.gz IAZAMQYKTQCLOU-AVGNSLFASA-N 0 3 336.310 2.166 20 5 EEBDHN CC(C)Oc1nccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254587586 1318133918 /nfs/dbraw/zinc/13/39/18/1318133918.db2.gz QMFSNBPYVHDHRB-OAHLLOKOSA-N 0 3 328.372 2.429 20 5 EEBDHN Cc1cc(N2CCN3CC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158430302 1319235021 /nfs/dbraw/zinc/23/50/21/1319235021.db2.gz CWMPZAYHXINKFA-HNNXBMFYSA-N 0 3 325.372 2.255 20 5 EEBDHN Nc1cc(NC2CCN(Cc3ccc(O)cc3)CC2)ncc1[N+](=O)[O-] ZINC001161131867 1320397215 /nfs/dbraw/zinc/39/72/15/1320397215.db2.gz QZEIATBPDOKPQG-UHFFFAOYSA-N 0 3 343.387 2.354 20 5 EEBDHN Cc1ncc([N+](=O)[O-])c(NCC2CCN(Cc3ccccn3)CC2)n1 ZINC001161242729 1320430982 /nfs/dbraw/zinc/43/09/82/1320430982.db2.gz DNMFDYVHQSCWIQ-UHFFFAOYSA-N 0 3 342.403 2.412 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+]1CCCC[C@H]1C ZINC001609165091 1351872214 /nfs/dbraw/zinc/87/22/14/1351872214.db2.gz DALREVFHDVRJBR-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+]1CCCC[C@H]1C ZINC001609165091 1351872219 /nfs/dbraw/zinc/87/22/19/1351872219.db2.gz DALREVFHDVRJBR-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+]1CCCC[C@H]1C ZINC001609165091 1351872224 /nfs/dbraw/zinc/87/22/24/1351872224.db2.gz DALREVFHDVRJBR-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+]1CCCC[C@H]1C ZINC001609165091 1351872228 /nfs/dbraw/zinc/87/22/28/1351872228.db2.gz DALREVFHDVRJBR-NEPJUHHUSA-N 0 3 345.407 2.450 20 5 EEBDHN CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609210344 1351893416 /nfs/dbraw/zinc/89/34/16/1351893416.db2.gz MZTZSQUHAMSAMJ-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609210344 1351893421 /nfs/dbraw/zinc/89/34/21/1351893421.db2.gz MZTZSQUHAMSAMJ-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409221 1351965001 /nfs/dbraw/zinc/96/50/01/1351965001.db2.gz BWROPZKCYANKLB-LLVKDONJSA-N 0 3 345.407 2.227 20 5 EEBDHN Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409221 1351965004 /nfs/dbraw/zinc/96/50/04/1351965004.db2.gz BWROPZKCYANKLB-LLVKDONJSA-N 0 3 345.407 2.227 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)[C@@H](C)C2)n1 ZINC001336727692 1336586623 /nfs/dbraw/zinc/58/66/23/1336586623.db2.gz ZVSKMZBGQDBKHH-LBPRGKRZSA-N 0 3 348.403 2.230 20 5 EEBDHN COc1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001337914928 1336753627 /nfs/dbraw/zinc/75/36/27/1336753627.db2.gz BWENJTAYYPOTBH-GFCCVEGCSA-N 0 3 330.344 2.463 20 5 EEBDHN Cc1cc(N[C@H](C)[C@H]2CN(C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266263 1338475939 /nfs/dbraw/zinc/47/59/39/1338475939.db2.gz JEEUNPSJGFFSHW-CXAGYDPISA-N 0 3 343.431 2.498 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1cccc(F)c1[N+](=O)[O-] ZINC001100543060 1338485422 /nfs/dbraw/zinc/48/54/22/1338485422.db2.gz OGJBKJBAKAWAQF-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589137385 1348964091 /nfs/dbraw/zinc/96/40/91/1348964091.db2.gz ZQXKISPSZBKEEU-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589137385 1348964094 /nfs/dbraw/zinc/96/40/94/1348964094.db2.gz ZQXKISPSZBKEEU-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589137385 1348964097 /nfs/dbraw/zinc/96/40/97/1348964097.db2.gz ZQXKISPSZBKEEU-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589137385 1348964099 /nfs/dbraw/zinc/96/40/99/1348964099.db2.gz ZQXKISPSZBKEEU-LLVKDONJSA-N 0 3 331.380 2.060 20 5 EEBDHN Cc1c(C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001605488229 1351169829 /nfs/dbraw/zinc/16/98/29/1351169829.db2.gz QZOGSPQJGRESLT-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN Cc1c(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001605488229 1351169831 /nfs/dbraw/zinc/16/98/31/1351169831.db2.gz QZOGSPQJGRESLT-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN CC(C)c1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1[N+](=O)[O-] ZINC001122234351 1371953649 /nfs/dbraw/zinc/95/36/49/1371953649.db2.gz SHKQYUFRRUMQLI-UHFFFAOYSA-N 0 3 347.415 2.313 20 5 EEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cc3ccccc3o2)CC1 ZINC000981137120 776583589 /nfs/dbraw/zinc/58/35/89/776583589.db2.gz NNHXMNHXABAGIE-HZPDHXFCSA-N 0 3 343.383 2.132 20 5 EEBDHN CN1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993933 783449616 /nfs/dbraw/zinc/44/96/16/783449616.db2.gz IRYWMZGXTGQXNS-VIFPVBQESA-N 0 3 348.140 2.282 20 5 EEBDHN Cc1cnc(CCCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001129099095 784026302 /nfs/dbraw/zinc/02/63/02/784026302.db2.gz OJIBRXGWFHBYRT-UHFFFAOYSA-N 0 3 346.387 2.120 20 5 EEBDHN O=C(CCN[C@H](CO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129722382 789709578 /nfs/dbraw/zinc/70/95/78/789709578.db2.gz WZMMTHLLVYYRMP-MRXNPFEDSA-N 0 3 347.346 2.386 20 5 EEBDHN CC[C@@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000792431300 809747216 /nfs/dbraw/zinc/74/72/16/809747216.db2.gz KDVDELGVZAWOIQ-CQSZACIVSA-N 0 3 327.768 2.345 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC(=O)N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355498 809902796 /nfs/dbraw/zinc/90/27/96/809902796.db2.gz HGKDQGGJVWIOLG-HIFRSBDPSA-N 0 3 347.415 2.231 20 5 EEBDHN CCCc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001129939013 811036157 /nfs/dbraw/zinc/03/61/57/811036157.db2.gz IIBVDIOYULDYOF-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN CC(C)(C)c1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001130732467 811978506 /nfs/dbraw/zinc/97/85/06/811978506.db2.gz QQPLOEVGNAJADS-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN Cc1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC001131604376 813007033 /nfs/dbraw/zinc/00/70/33/813007033.db2.gz RURMXYSPTGHIAQ-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447815833 242320450 /nfs/dbraw/zinc/32/04/50/242320450.db2.gz HXGYISWOBYSBJK-ZDUSSCGKSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H]1C[C@@H](O)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065094 243340609 /nfs/dbraw/zinc/34/06/09/243340609.db2.gz BHWWJSZDPJWYMZ-SWLSCSKDSA-N 0 3 331.372 2.495 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455648211 244048579 /nfs/dbraw/zinc/04/85/79/244048579.db2.gz NHHMUOXDOYATMI-LBPRGKRZSA-N 0 3 335.408 2.026 20 5 EEBDHN Cc1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075745169 203322462 /nfs/dbraw/zinc/32/24/62/203322462.db2.gz RMDHBJIHDZTSGC-KBPBESRZSA-N 0 3 336.417 2.359 20 5 EEBDHN COc1cc(CN[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000156377963 206072683 /nfs/dbraw/zinc/07/26/83/206072683.db2.gz OHSSPUPYVQOBIL-SNVBAGLBSA-N 0 3 334.319 2.311 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283052 256228742 /nfs/dbraw/zinc/22/87/42/256228742.db2.gz CJRYJVXVRWEZBF-SKDRFNHKSA-N 0 3 349.416 2.012 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CCO)c1ccccc1 ZINC000273168386 256272272 /nfs/dbraw/zinc/27/22/72/256272272.db2.gz OONMAXPYXCCQRA-HZPDHXFCSA-N 0 3 346.383 2.048 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000077639435 292189493 /nfs/dbraw/zinc/18/94/93/292189493.db2.gz ISCAMKGYYVUHOO-CQSZACIVSA-N 0 3 335.404 2.212 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074123977 159060554 /nfs/dbraw/zinc/06/05/54/159060554.db2.gz OYVXGJCGTNQYRO-MRXNPFEDSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000083026767 159160248 /nfs/dbraw/zinc/16/02/48/159160248.db2.gz QAVXXTVEFZWRMY-ZIAGYGMSSA-N 0 3 335.404 2.214 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154082 161044001 /nfs/dbraw/zinc/04/40/01/161044001.db2.gz UMOPNJAZJHWQPB-PXAZEXFGSA-N 0 3 344.415 2.145 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851086 161095650 /nfs/dbraw/zinc/09/56/50/161095650.db2.gz IGONZARNHCXYQG-IUODEOHRSA-N 0 3 331.416 2.471 20 5 EEBDHN COc1cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000351977696 162011633 /nfs/dbraw/zinc/01/16/33/162011633.db2.gz JNCGPBNBOOVFME-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccco1 ZINC000352543397 162181036 /nfs/dbraw/zinc/18/10/36/162181036.db2.gz DXZCWXIJCLGTBY-HNNXBMFYSA-N 0 3 334.372 2.240 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352574333 162195071 /nfs/dbraw/zinc/19/50/71/162195071.db2.gz GDRXZFLBOZQXFS-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1c(CN2CCN([C@@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547612 165179246 /nfs/dbraw/zinc/17/92/46/165179246.db2.gz RTLLHYXKCAQMDG-QGZVFWFLSA-N 0 3 332.448 2.115 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365073185 165369795 /nfs/dbraw/zinc/36/97/95/165369795.db2.gz QUVQYLKCELLONL-UONOGXRCSA-N 0 3 348.403 2.196 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1N(C)C ZINC000271387626 274127902 /nfs/dbraw/zinc/12/79/02/274127902.db2.gz BXBYATHBJBSWGS-CABCVRRESA-N 0 3 348.428 2.194 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000274131190 274186629 /nfs/dbraw/zinc/18/66/29/274186629.db2.gz YKCNWRSLUSFZAN-NXEZZACHSA-N 0 3 327.768 2.201 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579236 275072056 /nfs/dbraw/zinc/07/20/56/275072056.db2.gz XHNNXHFYJBFSLO-MNOVXSKESA-N 0 3 336.367 2.015 20 5 EEBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289661414 275136838 /nfs/dbraw/zinc/13/68/38/275136838.db2.gz FKGDRKJNPLJXHZ-AWEZNQCLSA-N 0 3 335.404 2.473 20 5 EEBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966386 275166125 /nfs/dbraw/zinc/16/61/25/275166125.db2.gz ZGXYIIRRDLMVGH-BWTRYIQHSA-N 0 3 331.416 2.403 20 5 EEBDHN CN1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292150500 275384778 /nfs/dbraw/zinc/38/47/78/275384778.db2.gz CFYIACCFYZSVCP-QGZVFWFLSA-N 0 3 330.388 2.012 20 5 EEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313872465 277296005 /nfs/dbraw/zinc/29/60/05/277296005.db2.gz ADEPCEGERBMONM-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN Cc1nc(NCC2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000295097354 293612322 /nfs/dbraw/zinc/61/23/22/293612322.db2.gz SWTUIMYUHAGKSB-UHFFFAOYSA-N 0 3 328.376 2.417 20 5 EEBDHN CCO[C@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160500 293904983 /nfs/dbraw/zinc/90/49/83/293904983.db2.gz KMISOORIISVWRA-HOTGVXAUSA-N 0 3 347.415 2.495 20 5 EEBDHN CN(C)[C@H]1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861651 294904110 /nfs/dbraw/zinc/90/41/10/294904110.db2.gz DUROEIABPCFHOU-NEPJUHHUSA-N 0 3 341.433 2.283 20 5 EEBDHN COC1([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000412027068 312600526 /nfs/dbraw/zinc/60/05/26/312600526.db2.gz UTMAXHMXGDBRCS-GFCCVEGCSA-N 0 3 333.388 2.031 20 5 EEBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413053596 312777034 /nfs/dbraw/zinc/77/70/34/312777034.db2.gz NZIJYHLEIJFGJF-UHFFFAOYSA-N 0 3 347.341 2.058 20 5 EEBDHN CC[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414519909 313036172 /nfs/dbraw/zinc/03/61/72/313036172.db2.gz CRLDIXJFNYKYJJ-MLGOLLRUSA-N 0 3 326.393 2.497 20 5 EEBDHN CNC(=O)c1ccc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443971171 315267407 /nfs/dbraw/zinc/26/74/07/315267407.db2.gz VIASBDCMLGEAJO-UHFFFAOYSA-N 0 3 334.420 2.488 20 5 EEBDHN CN(C)c1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000515637376 316509204 /nfs/dbraw/zinc/50/92/04/316509204.db2.gz JUZRVISKERHMJJ-UHFFFAOYSA-N 0 3 343.387 2.174 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000539811480 318063701 /nfs/dbraw/zinc/06/37/01/318063701.db2.gz XLIFQJAHKZWQAN-UHFFFAOYSA-N 0 3 349.387 2.270 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H](COC)C(C)C)c([N+](=O)[O-])c1 ZINC000541595211 318103716 /nfs/dbraw/zinc/10/37/16/318103716.db2.gz MZRHHJPOTDGFAW-AWEZNQCLSA-N 0 3 339.392 2.193 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC1 ZINC000542776373 318139036 /nfs/dbraw/zinc/13/90/36/318139036.db2.gz IOODSBPDNZNMSN-JTQLQIEISA-N 0 3 343.330 2.410 20 5 EEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154748 319551156 /nfs/dbraw/zinc/55/11/56/319551156.db2.gz NWCCYCSUPSEDSI-NEPJUHHUSA-N 0 3 343.387 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c2ncccc12 ZINC000325775401 465029811 /nfs/dbraw/zinc/02/98/11/465029811.db2.gz DDGBFLXLIFWIAZ-QWHCGFSZSA-N 0 3 328.372 2.418 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354630680 465064305 /nfs/dbraw/zinc/06/43/05/465064305.db2.gz VTOIUIQQVKXDKR-QWHCGFSZSA-N 0 3 341.433 2.088 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@@H]2CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863785 465199950 /nfs/dbraw/zinc/19/99/50/465199950.db2.gz YEBSAFBZZQHHLR-NVXWUHKLSA-N 0 3 347.394 2.031 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]([C@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659169 468298272 /nfs/dbraw/zinc/29/82/72/468298272.db2.gz HXMMTHNVCKJAIJ-RDTXWAMCSA-N 0 3 348.399 2.253 20 5 EEBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000153525839 462660743 /nfs/dbraw/zinc/66/07/43/462660743.db2.gz NVKDYQUMYQTXNY-AWEZNQCLSA-N 0 3 332.404 2.335 20 5 EEBDHN CC1CCN(CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046369776 462674618 /nfs/dbraw/zinc/67/46/18/462674618.db2.gz MOVWKCGYAOGRAW-UHFFFAOYSA-N 0 3 334.420 2.468 20 5 EEBDHN C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075901212 462772650 /nfs/dbraw/zinc/77/26/50/462772650.db2.gz DBZAEFXEXNRKOT-IFIJOSMWSA-N 0 3 348.378 2.374 20 5 EEBDHN CCO[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000076405717 462856925 /nfs/dbraw/zinc/85/69/25/462856925.db2.gz QGVCJGVJMVYGAP-AWEZNQCLSA-N 0 3 349.387 2.394 20 5 EEBDHN Cc1cccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092822362 462981331 /nfs/dbraw/zinc/98/13/31/462981331.db2.gz HEVUGDPLEAGQAC-SFHVURJKSA-N 0 3 342.399 2.250 20 5 EEBDHN CC(=O)NC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412399 463002659 /nfs/dbraw/zinc/00/26/59/463002659.db2.gz KGEYEBLGJKLGHT-HNNXBMFYSA-N 0 3 335.404 2.212 20 5 EEBDHN Nc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000068134449 463097212 /nfs/dbraw/zinc/09/72/12/463097212.db2.gz YYESJHKWXSWWAN-CQSZACIVSA-N 0 3 332.404 2.268 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000069047333 463203457 /nfs/dbraw/zinc/20/34/57/463203457.db2.gz LEQFTAXOIBBCSA-UHFFFAOYSA-N 0 3 345.403 2.418 20 5 EEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160239433 463324128 /nfs/dbraw/zinc/32/41/28/463324128.db2.gz LQACQEQFDNGLKD-GFCCVEGCSA-N 0 3 343.387 2.273 20 5 EEBDHN CN(C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000071063219 463406054 /nfs/dbraw/zinc/40/60/54/463406054.db2.gz APZWSODRUKGFMT-QGZVFWFLSA-N 0 3 343.383 2.393 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC)CC1 ZINC000041897024 463518826 /nfs/dbraw/zinc/51/88/26/463518826.db2.gz KVNAMFOXYOUABU-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000042004912 463531005 /nfs/dbraw/zinc/53/10/05/463531005.db2.gz QTNLLJPWLPBTBY-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000072851081 463554243 /nfs/dbraw/zinc/55/42/43/463554243.db2.gz TYMDDNNIJVJGFC-UHFFFAOYSA-N 0 3 332.364 2.029 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193826549 463745017 /nfs/dbraw/zinc/74/50/17/463745017.db2.gz RMZFKXOGYWEZSY-AWEZNQCLSA-N 0 3 334.420 2.311 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177790234 463792467 /nfs/dbraw/zinc/79/24/67/463792467.db2.gz FUOKFHLXJSYZJG-MRXNPFEDSA-N 0 3 329.404 2.392 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000277059989 463860202 /nfs/dbraw/zinc/86/02/02/463860202.db2.gz HUKKEABMEHBKFC-AWEZNQCLSA-N 0 3 336.436 2.289 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2c2ccccc2Cl)n1 ZINC000261881872 463887562 /nfs/dbraw/zinc/88/75/62/463887562.db2.gz YQRWQNUXZCMQLM-CQSZACIVSA-N 0 3 335.795 2.091 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(C3CCCC3)CC2)n1 ZINC000287509206 463909572 /nfs/dbraw/zinc/90/95/72/463909572.db2.gz ZHDRAPLPYUPRAC-UHFFFAOYSA-N 0 3 348.403 2.231 20 5 EEBDHN CNC(=O)c1ccc(NC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262186858 463967273 /nfs/dbraw/zinc/96/72/73/463967273.db2.gz JICHLGHFXHKLIA-MRXNPFEDSA-N 0 3 340.383 2.253 20 5 EEBDHN COC(=O)c1cc(C)nc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000287772171 463996084 /nfs/dbraw/zinc/99/60/84/463996084.db2.gz IAGWAHGMIXCDOB-QWRGUYRKSA-N 0 3 334.376 2.122 20 5 EEBDHN CCCC(=O)NC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643066 464044702 /nfs/dbraw/zinc/04/47/02/464044702.db2.gz JTPHYUHAOMIKIN-WMLDXEAASA-N 0 3 349.431 2.257 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424065 464133105 /nfs/dbraw/zinc/13/31/05/464133105.db2.gz MTOFKXCGFRGSSO-WBMJQRKESA-N 0 3 326.393 2.432 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291992259 464164791 /nfs/dbraw/zinc/16/47/91/464164791.db2.gz WXRMRMDHZYWSEP-LBPRGKRZSA-N 0 3 330.331 2.313 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264453260 464332980 /nfs/dbraw/zinc/33/29/80/464332980.db2.gz DAHZJEANBMQJFK-HNNXBMFYSA-N 0 3 333.388 2.060 20 5 EEBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCCO2 ZINC000180615131 464348747 /nfs/dbraw/zinc/34/87/47/464348747.db2.gz ZAKHYNGNAOBIMG-ZDUSSCGKSA-N 0 3 332.360 2.303 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284993198 464418221 /nfs/dbraw/zinc/41/82/21/464418221.db2.gz APFVQSKCGBEIQI-CQSZACIVSA-N 0 3 331.376 2.131 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCC3(O)CCOCC3)o2)c1 ZINC000238144272 464435874 /nfs/dbraw/zinc/43/58/74/464435874.db2.gz VUFGTUTZVICLQV-UHFFFAOYSA-N 0 3 332.356 2.486 20 5 EEBDHN O=C(NCC1CCN(Cc2cccs2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285295747 464513780 /nfs/dbraw/zinc/51/37/80/464513780.db2.gz UESGWPFEQSIKNQ-UHFFFAOYSA-N 0 3 349.416 2.021 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000272293762 464552119 /nfs/dbraw/zinc/55/21/19/464552119.db2.gz BVSZEYUSXRNRRS-ZIAGYGMSSA-N 0 3 338.433 2.413 20 5 EEBDHN CN(CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272418943 464602323 /nfs/dbraw/zinc/60/23/23/464602323.db2.gz MHJQADANLFCBMV-UHFFFAOYSA-N 0 3 340.811 2.184 20 5 EEBDHN CC(C)c1nc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000294818351 464614394 /nfs/dbraw/zinc/61/43/94/464614394.db2.gz OQNQUYSQQPJFSS-NSHDSACASA-N 0 3 346.391 2.343 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593881927 468418764 /nfs/dbraw/zinc/41/87/64/468418764.db2.gz AOALRRJEDSGMIO-UHFFFAOYSA-N 0 3 335.404 2.308 20 5 EEBDHN CCOC(=O)c1ccnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000286353976 464890504 /nfs/dbraw/zinc/89/05/04/464890504.db2.gz LQKUQQZWJPIKNZ-FUNVUKJBSA-N 0 3 348.403 2.228 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187748 464963879 /nfs/dbraw/zinc/96/38/79/464963879.db2.gz UZDMYTROBJCUCU-SWLSCSKDSA-N 0 3 332.404 2.219 20 5 EEBDHN CCNC(=O)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022260 465023331 /nfs/dbraw/zinc/02/33/31/465023331.db2.gz PDXZLSYGJIDVGA-CZUORRHYSA-N 0 3 332.404 2.366 20 5 EEBDHN O=c1[nH]c(NC[C@@H]2CCCCN2C2CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000343050175 465471810 /nfs/dbraw/zinc/47/18/10/465471810.db2.gz CBISVEXXADBLIG-ZDUSSCGKSA-N 0 3 343.387 2.672 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000330606216 465728501 /nfs/dbraw/zinc/72/85/01/465728501.db2.gz ZTQYBSDSVHMJGL-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN COc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000357141645 465806863 /nfs/dbraw/zinc/80/68/63/465806863.db2.gz IGIOMFUJJGWUIM-CYBMUJFWSA-N 0 3 333.388 2.350 20 5 EEBDHN O=C([C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000331374780 466054305 /nfs/dbraw/zinc/05/43/05/466054305.db2.gz KIAABOKMNMZPAD-HNNXBMFYSA-N 0 3 347.415 2.308 20 5 EEBDHN Cn1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336023 466085907 /nfs/dbraw/zinc/08/59/07/466085907.db2.gz PKEZPCMUBWTZAM-XKQJLSEDSA-N 0 3 342.399 2.198 20 5 EEBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302169819 466109790 /nfs/dbraw/zinc/10/97/90/466109790.db2.gz LMZBVTSLHDRJJF-UHFFFAOYSA-N 0 3 328.372 2.319 20 5 EEBDHN CCN1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332188832 466435438 /nfs/dbraw/zinc/43/54/38/466435438.db2.gz BVRTWTZZASBNQV-CHWSQXEVSA-N 0 3 335.404 2.376 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CNC2(CO)CCOCC2)c1 ZINC000338961294 466525531 /nfs/dbraw/zinc/52/55/31/466525531.db2.gz LPMAROMHFLVTAV-UHFFFAOYSA-N 0 3 334.294 2.245 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186949 467034680 /nfs/dbraw/zinc/03/46/80/467034680.db2.gz TWMZBRMYOGDVBN-BEMMVCDISA-N 0 3 329.400 2.297 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000451080273 467241921 /nfs/dbraw/zinc/24/19/21/467241921.db2.gz BNFNLKVTDGKDKQ-KBPBESRZSA-N 0 3 346.431 2.338 20 5 EEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452036203 467309874 /nfs/dbraw/zinc/30/98/74/467309874.db2.gz PIZKSJSDVAUFMK-NVXWUHKLSA-N 0 3 347.415 2.421 20 5 EEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452973708 467449192 /nfs/dbraw/zinc/44/91/92/467449192.db2.gz KLRURWQPCHIQLF-YQQAZPJKSA-N 0 3 331.416 2.326 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NCC(=O)NCCN1CCCCCC1 ZINC000431498299 467520377 /nfs/dbraw/zinc/52/03/77/467520377.db2.gz ZLUIQDQJVWMNDH-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000449233560 467625114 /nfs/dbraw/zinc/62/51/14/467625114.db2.gz MDSZNZKPZIFEFF-TZMCWYRMSA-N 0 3 326.418 2.083 20 5 EEBDHN COC(=O)Cc1ccc(NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450259963 467811010 /nfs/dbraw/zinc/81/10/10/467811010.db2.gz YWJLZKLSRKHBPY-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690130 467964932 /nfs/dbraw/zinc/96/49/32/467964932.db2.gz YQZAUMCCHXFPGZ-MJEQTWJJSA-N 0 3 335.404 2.371 20 5 EEBDHN Cn1ccnc1[C@H]1OCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000486793303 468012305 /nfs/dbraw/zinc/01/23/05/468012305.db2.gz ASLFWHFAIKLBJJ-ARTVWEGUSA-N 0 3 328.372 2.461 20 5 EEBDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218925 468235153 /nfs/dbraw/zinc/23/51/53/468235153.db2.gz IJFRWBRHZDFULO-DZGCQCFKSA-N 0 3 348.403 2.357 20 5 EEBDHN CCCOc1cc(C)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591753974 468515199 /nfs/dbraw/zinc/51/51/99/468515199.db2.gz ZBYHRIOHSBAKLU-MRXNPFEDSA-N 0 3 348.403 2.039 20 5 EEBDHN CC(C)O[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053204 468852249 /nfs/dbraw/zinc/85/22/49/468852249.db2.gz QENYCUQXQWEFGN-RDJZCZTQSA-N 0 3 338.404 2.224 20 5 EEBDHN COC(=O)c1ccnc(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598632047 468939910 /nfs/dbraw/zinc/93/99/10/468939910.db2.gz ZBFYJLQNDUVFRJ-OLZOCXBDSA-N 0 3 334.376 2.205 20 5 EEBDHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586771823 469062255 /nfs/dbraw/zinc/06/22/55/469062255.db2.gz QGADCRQXGOMBAY-HNNXBMFYSA-N 0 3 343.387 2.275 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000602797654 469082105 /nfs/dbraw/zinc/08/21/05/469082105.db2.gz NPEUSLGDMKTSKT-GDBMZVCRSA-N 0 3 333.436 2.048 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000602845960 469113370 /nfs/dbraw/zinc/11/33/70/469113370.db2.gz NWAJMRZQFJVWKW-MRXNPFEDSA-N 0 3 334.420 2.381 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000602902721 469153833 /nfs/dbraw/zinc/15/38/33/469153833.db2.gz LKWPOSGNBOEHQA-MRXNPFEDSA-N 0 3 329.404 2.310 20 5 EEBDHN Nc1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)nc1[N+](=O)[O-] ZINC000596100926 469154621 /nfs/dbraw/zinc/15/46/21/469154621.db2.gz DPEAGYBMYIPSDK-GFCCVEGCSA-N 0 3 347.444 2.958 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCO[C@@]4(CCOC4)C3)nc2c1 ZINC000602580882 469369735 /nfs/dbraw/zinc/36/97/35/469369735.db2.gz DYHYVYYNWMHNRN-BZNIZROVSA-N 0 3 333.344 2.164 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596841008 469378544 /nfs/dbraw/zinc/37/85/44/469378544.db2.gz CKQBPDGRVYCYRM-HNNXBMFYSA-N 0 3 348.403 2.278 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603848402 469436505 /nfs/dbraw/zinc/43/65/05/469436505.db2.gz SADVLJOQYZKQOD-INIZCTEOSA-N 0 3 349.431 2.160 20 5 EEBDHN CCn1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000616786417 469502096 /nfs/dbraw/zinc/50/20/96/469502096.db2.gz YNVZAKUVRFTWFR-OAHLLOKOSA-N 0 3 333.388 2.288 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1N1CCN(c3ccncc3)CC1)CCN2 ZINC000618150472 469906392 /nfs/dbraw/zinc/90/63/92/469906392.db2.gz HBUIIUZWQUPDNH-UHFFFAOYSA-N 0 3 325.372 2.284 20 5 EEBDHN CCN(CC)CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000772236094 577258446 /nfs/dbraw/zinc/25/84/46/577258446.db2.gz KWAWRARGTRAPHL-UHFFFAOYSA-N 0 3 346.181 2.251 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000743639567 577888283 /nfs/dbraw/zinc/88/82/83/577888283.db2.gz WGVBSLCZIZECLI-JOYOIKCWSA-N 0 3 336.348 2.024 20 5 EEBDHN CN(C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1Cl ZINC000735414653 578151458 /nfs/dbraw/zinc/15/14/58/578151458.db2.gz QSVAYTOWGCTGKC-UHFFFAOYSA-N 0 3 342.812 2.089 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000872037930 1198033330 /nfs/dbraw/zinc/03/33/30/1198033330.db2.gz HDVLEMWPYNZWTR-IINYFYTJSA-N 0 3 336.417 2.434 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346015 1199909165 /nfs/dbraw/zinc/90/91/65/1199909165.db2.gz NEDXSMMQKZGODX-CQSZACIVSA-N 0 3 341.367 2.048 20 5 EEBDHN Cc1ccc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)cc1F ZINC000813113490 1201123527 /nfs/dbraw/zinc/12/35/27/1201123527.db2.gz QRWHYWORZAROTI-SNVBAGLBSA-N 0 3 337.307 2.325 20 5 EEBDHN CC(COC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)[N+](=O)[O-] ZINC000813110183 1201123606 /nfs/dbraw/zinc/12/36/06/1201123606.db2.gz ULSFBCYEJVXMBP-MRVPVSSYSA-N 0 3 336.325 2.361 20 5 EEBDHN CN1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929218236 1206457070 /nfs/dbraw/zinc/45/70/70/1206457070.db2.gz QPYVMLZYKKETEJ-UHFFFAOYSA-N 0 3 328.210 2.495 20 5 EEBDHN CSCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000932593660 1207633171 /nfs/dbraw/zinc/63/31/71/1207633171.db2.gz YTTACFPPADPLEE-OAHLLOKOSA-N 0 3 340.445 2.410 20 5 EEBDHN COC(=O)N1CCC(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000796500502 1220043345 /nfs/dbraw/zinc/04/33/45/1220043345.db2.gz NTYRZKHMXOYSLD-UHFFFAOYSA-N 0 3 325.340 2.302 20 5 EEBDHN C[C@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641244 1234597738 /nfs/dbraw/zinc/59/77/38/1234597738.db2.gz PZFVNJLTRMCRKW-ZETCQYMHSA-N 0 3 326.154 2.017 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801796426 1236203451 /nfs/dbraw/zinc/20/34/51/1236203451.db2.gz BLTDFSALKVSTHO-UHFFFAOYSA-N 0 3 346.362 2.308 20 5 EEBDHN CC[C@H](CN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341984 1240274625 /nfs/dbraw/zinc/27/46/25/1240274625.db2.gz ABVHYUVQEGJHCO-UONOGXRCSA-N 0 3 337.420 2.365 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097029996 1243638651 /nfs/dbraw/zinc/63/86/51/1243638651.db2.gz OWVQJMIKMKAJOJ-HAQNSBGRSA-N 0 3 338.383 2.135 20 5 EEBDHN CC(C)(C)[C@H](C[NH3+])[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766718 1293911436 /nfs/dbraw/zinc/91/14/36/1293911436.db2.gz VLFZOHFESLUGOV-NSHDSACASA-N 0 3 331.319 2.056 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C ZINC000860447338 1294972372 /nfs/dbraw/zinc/97/23/72/1294972372.db2.gz JIHQMSUMCBKFGK-NEPJUHHUSA-N 0 3 343.836 2.366 20 5 EEBDHN COCCCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222482244 1299624195 /nfs/dbraw/zinc/62/41/95/1299624195.db2.gz PXLUPRXEZVDFRB-UHFFFAOYSA-N 0 3 349.431 2.350 20 5 EEBDHN O=C(COC1CCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155060379 1317438484 /nfs/dbraw/zinc/43/84/84/1317438484.db2.gz TVZJXNHGZSOEBN-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cccc(OC3COC3)n1)C2 ZINC001254586158 1318133999 /nfs/dbraw/zinc/13/39/99/1318133999.db2.gz HUTLAJFQVXLWMI-HNNXBMFYSA-N 0 3 341.367 2.024 20 5 EEBDHN O=C(CCOCC1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157894205 1318920652 /nfs/dbraw/zinc/92/06/52/1318920652.db2.gz VGIPPMJGCZULFW-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccns1 ZINC001159113243 1319618966 /nfs/dbraw/zinc/61/89/66/1319618966.db2.gz GBGRXNBXIUMXFX-UHFFFAOYSA-N 0 3 326.403 2.023 20 5 EEBDHN CCC(=O)NCC1(COC)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001162031047 1320726580 /nfs/dbraw/zinc/72/65/80/1320726580.db2.gz BHHIUXRGLCCNMX-UHFFFAOYSA-N 0 3 349.431 2.350 20 5 EEBDHN COc1c(F)cc(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163649710 1321181017 /nfs/dbraw/zinc/18/10/17/1321181017.db2.gz FGSJGALTDMHXNL-GOEBONIOSA-N 0 3 339.367 2.456 20 5 EEBDHN Cn1cc([C@@H]2C[C@H]2CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001308653613 1331600821 /nfs/dbraw/zinc/60/08/21/1331600821.db2.gz HWGFHBROGYEOBT-KBXCAEBGSA-N 0 3 341.415 2.254 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001100540442 1338484010 /nfs/dbraw/zinc/48/40/10/1338484010.db2.gz KBULRMICTRKPCK-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CCC[N@H+](CC)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577576454 1344165473 /nfs/dbraw/zinc/16/54/73/1344165473.db2.gz YBWPDAPMNICULH-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCC[N@@H+](CC)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577576454 1344165476 /nfs/dbraw/zinc/16/54/76/1344165476.db2.gz YBWPDAPMNICULH-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCC[N@H+](CC)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577576454 1344165478 /nfs/dbraw/zinc/16/54/78/1344165478.db2.gz YBWPDAPMNICULH-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCC[N@@H+](CC)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577576454 1344165480 /nfs/dbraw/zinc/16/54/80/1344165480.db2.gz YBWPDAPMNICULH-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN COCC1([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCC1 ZINC001591389581 1349480170 /nfs/dbraw/zinc/48/01/70/1349480170.db2.gz YFZRHNVAMJMKTC-UHFFFAOYSA-N 0 3 346.391 2.214 20 5 EEBDHN COCC1([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001591389581 1349480178 /nfs/dbraw/zinc/48/01/78/1349480178.db2.gz YFZRHNVAMJMKTC-UHFFFAOYSA-N 0 3 346.391 2.214 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001607083711 1351410745 /nfs/dbraw/zinc/41/07/45/1351410745.db2.gz MJJYURBJWSPKJY-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001607083711 1351410747 /nfs/dbraw/zinc/41/07/47/1351410747.db2.gz MJJYURBJWSPKJY-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001607083711 1351410748 /nfs/dbraw/zinc/41/07/48/1351410748.db2.gz MJJYURBJWSPKJY-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001607083711 1351410750 /nfs/dbraw/zinc/41/07/50/1351410750.db2.gz MJJYURBJWSPKJY-GFCCVEGCSA-N 0 3 328.376 2.397 20 5 EEBDHN CN(C)CC1(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCC1 ZINC001120039701 1371800964 /nfs/dbraw/zinc/80/09/64/1371800964.db2.gz KSLAVDWMIIARON-UHFFFAOYSA-N 0 3 330.388 2.343 20 5 EEBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118788 780749798 /nfs/dbraw/zinc/74/97/98/780749798.db2.gz DYTFEAZPMPAENL-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118788 780749804 /nfs/dbraw/zinc/74/98/04/780749804.db2.gz DYTFEAZPMPAENL-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN CON(C)C(=O)CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000819269761 785501440 /nfs/dbraw/zinc/50/14/40/785501440.db2.gz OIIYCKNPLRBAQN-UHFFFAOYSA-N 0 3 335.282 2.113 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107285184 786749333 /nfs/dbraw/zinc/74/93/33/786749333.db2.gz JTNGFSYMGMSPEY-ARJAWSKDSA-N 0 3 343.387 2.262 20 5 EEBDHN CN(CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)C ZINC001094141453 795992331 /nfs/dbraw/zinc/99/23/31/795992331.db2.gz YEQRGXKLQHZOBT-UHFFFAOYSA-N 0 3 340.399 2.240 20 5 EEBDHN Cc1ccc(NC2(CNC(=O)CN(C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001110158752 796332296 /nfs/dbraw/zinc/33/22/96/796332296.db2.gz POARFTDPNLNWNW-UHFFFAOYSA-N 0 3 334.420 2.304 20 5 EEBDHN Cc1nc(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)co1 ZINC001086066128 802056956 /nfs/dbraw/zinc/05/69/56/802056956.db2.gz MEXLQBFDBZQEJP-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN CC(C)(C)OC(=O)N[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037532 803581424 /nfs/dbraw/zinc/58/14/24/803581424.db2.gz SBUBPQQEXPUUDO-AAVRWANBSA-N 0 3 345.415 2.369 20 5 EEBDHN CO[C@H](CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040061 803583366 /nfs/dbraw/zinc/58/33/66/803583366.db2.gz XITFMFQRELKHHV-YTQUADARSA-N 0 3 347.459 2.437 20 5 EEBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026218830 202140386 /nfs/dbraw/zinc/14/03/86/202140386.db2.gz MGJMETCTCCGPBS-ZDUSSCGKSA-N 0 3 349.387 2.199 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCN3CCCOCC3)C2)cc1 ZINC000451552721 243156184 /nfs/dbraw/zinc/15/61/84/243156184.db2.gz XGNPTOHZKQKNEQ-QGZVFWFLSA-N 0 3 333.432 2.497 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488951 243131266 /nfs/dbraw/zinc/13/12/66/243131266.db2.gz JLIRWSGFVMAELA-OIISXLGYSA-N 0 3 345.399 2.105 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC ZINC000451627307 243181946 /nfs/dbraw/zinc/18/19/46/243181946.db2.gz BZGSXKQKPDCHFZ-ZKYQVNSYSA-N 0 3 337.376 2.088 20 5 EEBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246798468 243317392 /nfs/dbraw/zinc/31/73/92/243317392.db2.gz BTIHRTVVLJFWCG-JSGCOSHPSA-N 0 3 335.429 2.382 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452059033 243340625 /nfs/dbraw/zinc/34/06/25/243340625.db2.gz JOESWNZWZNWAJV-CQSZACIVSA-N 0 3 336.417 2.346 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738073 245230110 /nfs/dbraw/zinc/23/01/10/245230110.db2.gz AAGHEJOMTVFSER-KGLIPLIRSA-N 0 3 333.388 2.389 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772034 245243064 /nfs/dbraw/zinc/24/30/64/245243064.db2.gz RUCJHARQCLVMER-KCPJHIHWSA-N 0 3 333.388 2.469 20 5 EEBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146817 256212971 /nfs/dbraw/zinc/21/29/71/256212971.db2.gz RTWWLQAKDSMVHR-HOCLYGCPSA-N 0 3 349.431 2.266 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1NCCCN1CCC(O)CC1 ZINC000276707456 256460297 /nfs/dbraw/zinc/46/02/97/256460297.db2.gz XZGJDTCMIHHYBO-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000172497916 152088444 /nfs/dbraw/zinc/08/84/44/152088444.db2.gz NTVSEKDXQVYTMR-UHFFFAOYSA-N 0 3 342.193 2.183 20 5 EEBDHN COC(=O)c1cnc(N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377195386 154080801 /nfs/dbraw/zinc/08/08/01/154080801.db2.gz FAKVZZKYMCQPQM-LBPRGKRZSA-N 0 3 334.376 2.205 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389127 154175457 /nfs/dbraw/zinc/17/54/57/154175457.db2.gz FULRDBAIAFUYAK-WMLDXEAASA-N 0 3 349.387 2.089 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000249279986 160377442 /nfs/dbraw/zinc/37/74/42/160377442.db2.gz NANNISJBUABXIG-FZMZJTMJSA-N 0 3 334.376 2.161 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083025868 159160704 /nfs/dbraw/zinc/16/07/04/159160704.db2.gz BTSYEARPGGDSDU-ZIAGYGMSSA-N 0 3 335.404 2.214 20 5 EEBDHN CCOc1cc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827388 160018758 /nfs/dbraw/zinc/01/87/58/160018758.db2.gz KKQBKDIQRGAHCQ-AWEZNQCLSA-N 0 3 336.436 2.431 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341933827 161025449 /nfs/dbraw/zinc/02/54/49/161025449.db2.gz DRDZLPPPOIOUBY-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000342227104 161049078 /nfs/dbraw/zinc/04/90/78/161049078.db2.gz XUEWXTLFVQENNE-ODDCISTRSA-N 0 3 338.429 2.413 20 5 EEBDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390213 161131302 /nfs/dbraw/zinc/13/13/02/161131302.db2.gz MAOVGGTVIWHZCC-XJKSGUPXSA-N 0 3 346.387 2.440 20 5 EEBDHN COCC1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343767608 161166371 /nfs/dbraw/zinc/16/63/71/161166371.db2.gz OGIHKHHCYLSDDA-CQSZACIVSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000344357502 161219884 /nfs/dbraw/zinc/21/98/84/161219884.db2.gz VSXJHMFLUFDSSC-UONOGXRCSA-N 0 3 334.420 2.243 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000344845198 161250463 /nfs/dbraw/zinc/25/04/63/161250463.db2.gz ZOCVYHHWCCFHOG-KBPBESRZSA-N 0 3 335.404 2.271 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000345327105 161292270 /nfs/dbraw/zinc/29/22/70/161292270.db2.gz SUKJSKWEYCJFRY-CZUORRHYSA-N 0 3 334.420 2.386 20 5 EEBDHN CCc1ccc([C@H](NC[C@H](O)CN(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551140 161381296 /nfs/dbraw/zinc/38/12/96/161381296.db2.gz HFXXKWFPJAIRRZ-MAUKXSAKSA-N 0 3 347.415 2.352 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000351955703 162000163 /nfs/dbraw/zinc/00/01/63/162000163.db2.gz KTRJNFVLXLYMGG-UWVGGRQHSA-N 0 3 343.330 2.409 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000355334123 163149789 /nfs/dbraw/zinc/14/97/89/163149789.db2.gz BNUJQCZWYOTITP-UHFFFAOYSA-N 0 3 337.424 2.388 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000355334123 163149791 /nfs/dbraw/zinc/14/97/91/163149791.db2.gz BNUJQCZWYOTITP-UHFFFAOYSA-N 0 3 337.424 2.388 20 5 EEBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359596199 164132862 /nfs/dbraw/zinc/13/28/62/164132862.db2.gz HGQNRJMLSJCNPC-QGZVFWFLSA-N 0 3 345.399 2.190 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCSC1 ZINC000359739558 164163401 /nfs/dbraw/zinc/16/34/01/164163401.db2.gz LXQUMERTKFYFEJ-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295967 164277267 /nfs/dbraw/zinc/27/72/67/164277267.db2.gz KOQKGLAMUIGLJQ-UKRRQHHQSA-N 0 3 342.399 2.184 20 5 EEBDHN Cn1cc(CN2CC[C@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000369674855 166311238 /nfs/dbraw/zinc/31/12/38/166311238.db2.gz ALERNSHJFCNOGM-GOSISDBHSA-N 0 3 342.399 2.342 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374004082 167001595 /nfs/dbraw/zinc/00/15/95/167001595.db2.gz UXXDMOZFQPBCFB-HIFRSBDPSA-N 0 3 332.356 2.417 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000272702716 269011319 /nfs/dbraw/zinc/01/13/19/269011319.db2.gz ZAKMHQMCZLYDGZ-BDJLRTHQSA-N 0 3 328.372 2.242 20 5 EEBDHN C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1[C@H](C)CC[C@H]1C ZINC000277551096 269161392 /nfs/dbraw/zinc/16/13/92/269161392.db2.gz CFIDYBOERULLKJ-IJLUTSLNSA-N 0 3 345.403 2.349 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC000277657277 269168043 /nfs/dbraw/zinc/16/80/43/269168043.db2.gz DLOBTMULRNPXKQ-UHFFFAOYSA-N 0 3 344.415 2.109 20 5 EEBDHN Cc1cccc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278507731 269234686 /nfs/dbraw/zinc/23/46/86/269234686.db2.gz MACUJUSUYWSJMC-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN Cc1cccc(CC2(O)CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000280287874 269347559 /nfs/dbraw/zinc/34/75/59/269347559.db2.gz DXDPQJIHDYFTRK-UHFFFAOYSA-N 0 3 344.415 2.169 20 5 EEBDHN Cn1cc([C@H](CO)N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271541687 274141264 /nfs/dbraw/zinc/14/12/64/274141264.db2.gz QVBNBBYHPZJFAS-JQFCIGGWSA-N 0 3 344.415 2.363 20 5 EEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784916 274151547 /nfs/dbraw/zinc/15/15/47/274151547.db2.gz MGSQAWVSYBOHIM-CABZTGNLSA-N 0 3 342.758 2.296 20 5 EEBDHN Cc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277493992 274298892 /nfs/dbraw/zinc/29/88/92/274298892.db2.gz JOSAFJSMIWKJIR-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266257407 275026532 /nfs/dbraw/zinc/02/65/32/275026532.db2.gz ODPUXRRUOZRHNO-CQSZACIVSA-N 0 3 344.371 2.002 20 5 EEBDHN O=C1[C@H](N2CC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412643 275029974 /nfs/dbraw/zinc/02/99/74/275029974.db2.gz VFHUZHVSAMDVQM-GRDNDAEWSA-N 0 3 345.399 2.059 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079535734 279301370 /nfs/dbraw/zinc/30/13/70/279301370.db2.gz WRKGSPNWRDCEGC-CQSZACIVSA-N 0 3 334.420 2.022 20 5 EEBDHN CCC[C@H](N[C@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315057 293944574 /nfs/dbraw/zinc/94/45/74/293944574.db2.gz GOTMFTHMXBLGHX-HIFRSBDPSA-N 0 3 343.449 2.353 20 5 EEBDHN C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000297309100 294208621 /nfs/dbraw/zinc/20/86/21/294208621.db2.gz IGCSVEMUOCBWRC-CQSZACIVSA-N 0 3 346.431 2.263 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000297567158 294282112 /nfs/dbraw/zinc/28/21/12/294282112.db2.gz RWOWKYCCPBHQEN-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000301741018 294888786 /nfs/dbraw/zinc/88/87/86/294888786.db2.gz XTQXPFLPSBSTMD-LLVKDONJSA-N 0 3 326.784 2.308 20 5 EEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000414123524 312973492 /nfs/dbraw/zinc/97/34/92/312973492.db2.gz BJTKKEVFDFMKFA-CQDKDKBSSA-N 0 3 326.418 2.393 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342604 315243202 /nfs/dbraw/zinc/24/32/02/315243202.db2.gz FFAXWRMWUKVJAS-GUTXKFCHSA-N 0 3 338.404 2.464 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000444609688 315311053 /nfs/dbraw/zinc/31/10/53/315311053.db2.gz BTYIYIXHLLOWSD-UHFFFAOYSA-N 0 3 334.420 2.245 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000542524574 318131591 /nfs/dbraw/zinc/13/15/91/318131591.db2.gz DYBMJKLMTXVADQ-LBPRGKRZSA-N 0 3 329.784 2.447 20 5 EEBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543452854 318158914 /nfs/dbraw/zinc/15/89/14/318158914.db2.gz XEWFTYLGRKEZQM-ZDUSSCGKSA-N 0 3 329.784 2.447 20 5 EEBDHN C[C@H]1COCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574477 320183872 /nfs/dbraw/zinc/18/38/72/320183872.db2.gz OZQDQISWIICNSR-HNNXBMFYSA-N 0 3 333.432 2.322 20 5 EEBDHN Cc1c(CNC(=O)C[C@H](N)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000577741048 320272959 /nfs/dbraw/zinc/27/29/59/320272959.db2.gz UWHSJTBZHQMZNA-MRXNPFEDSA-N 0 3 327.384 2.480 20 5 EEBDHN CNc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581530215 324271205 /nfs/dbraw/zinc/27/12/05/324271205.db2.gz CYVRHBNQGNRJBX-LBPRGKRZSA-N 0 3 332.404 2.193 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354630676 465064875 /nfs/dbraw/zinc/06/48/75/465064875.db2.gz VTOIUIQQVKXDKR-CHWSQXEVSA-N 0 3 341.433 2.088 20 5 EEBDHN CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347553603 465090059 /nfs/dbraw/zinc/09/00/59/465090059.db2.gz DESAHUGJFAXUCJ-ZBFHGGJFSA-N 0 3 348.403 2.244 20 5 EEBDHN Cc1nc(NCC2(N3CCSCC3)CCCC2)ncc1[N+](=O)[O-] ZINC000296256569 465132375 /nfs/dbraw/zinc/13/23/75/465132375.db2.gz FZCBAOYCHPKFQL-UHFFFAOYSA-N 0 3 337.449 2.467 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000296500796 465214397 /nfs/dbraw/zinc/21/43/97/465214397.db2.gz BROATYLXFOMLSD-MRXNPFEDSA-N 0 3 334.376 2.163 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932787 465398127 /nfs/dbraw/zinc/39/81/27/465398127.db2.gz GUYXHVDVHOHSNR-FZMZJTMJSA-N 0 3 330.388 2.488 20 5 EEBDHN COc1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047119445 462745698 /nfs/dbraw/zinc/74/56/98/462745698.db2.gz JUWQPDBKZKAUEZ-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000076461053 462864565 /nfs/dbraw/zinc/86/45/65/462864565.db2.gz ZXSHSDIFJWTTNV-ZDUSSCGKSA-N 0 3 330.392 2.244 20 5 EEBDHN CN(CCC1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120611795 463018557 /nfs/dbraw/zinc/01/85/57/463018557.db2.gz XHGZIJGLNRHMGO-KRWDZBQOSA-N 0 3 347.415 2.449 20 5 EEBDHN CNC(=O)CCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093717587 463044314 /nfs/dbraw/zinc/04/43/14/463044314.db2.gz IXWGSFPUMMHQAW-UHFFFAOYSA-N 0 3 344.209 2.315 20 5 EEBDHN Cc1ccccc1CN1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029623934 463265652 /nfs/dbraw/zinc/26/56/52/463265652.db2.gz JYOVOIRBKWUKGR-UHFFFAOYSA-N 0 3 329.404 2.349 20 5 EEBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122903560 463300117 /nfs/dbraw/zinc/30/01/17/463300117.db2.gz IXROXCCBKSJLHQ-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN COc1cc(N2CCN(c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000097032678 463305535 /nfs/dbraw/zinc/30/55/35/463305535.db2.gz XSBKFGFXICKURJ-UHFFFAOYSA-N 0 3 332.335 2.464 20 5 EEBDHN Cc1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000139138949 463319130 /nfs/dbraw/zinc/31/91/30/463319130.db2.gz PVFVLYMDUZCNGV-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN CC(C)N1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069780182 463325779 /nfs/dbraw/zinc/32/57/79/463325779.db2.gz AGUBNNWOCSQDEF-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN Cc1cc(N[C@H]2CCN(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522048024 468351597 /nfs/dbraw/zinc/35/15/97/468351597.db2.gz NOPZOGUHOCBHKV-AWEZNQCLSA-N 0 3 339.399 2.431 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000083025958 463529208 /nfs/dbraw/zinc/52/92/08/463529208.db2.gz AEEVJONSEAQYKN-HUUCEWRRSA-N 0 3 349.431 2.143 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000276915590 463805461 /nfs/dbraw/zinc/80/54/61/463805461.db2.gz PVTVWKVJXQVPMD-YGRLFVJLSA-N 0 3 333.388 2.124 20 5 EEBDHN CO[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971150 468387984 /nfs/dbraw/zinc/38/79/84/468387984.db2.gz RUIOKFSXEAHGSR-CVEARBPZSA-N 0 3 334.372 2.413 20 5 EEBDHN CC1(C)C[C@H](NCC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279165790 464051610 /nfs/dbraw/zinc/05/16/10/464051610.db2.gz UKBKICGKSBMPFJ-HNNXBMFYSA-N 0 3 347.415 2.189 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000263722148 464167596 /nfs/dbraw/zinc/16/75/96/464167596.db2.gz KAEVEVKELIWXEM-ZIAGYGMSSA-N 0 3 334.420 2.315 20 5 EEBDHN CSC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313685 464193432 /nfs/dbraw/zinc/19/34/32/464193432.db2.gz DVKIJZUIHLUUMV-UONOGXRCSA-N 0 3 340.445 2.410 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173992852 464346038 /nfs/dbraw/zinc/34/60/38/464346038.db2.gz NNSJALBHQODHIZ-ZDUSSCGKSA-N 0 3 341.433 2.008 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000174026576 464352385 /nfs/dbraw/zinc/35/23/85/464352385.db2.gz VXDWSPHWPXRHMY-QGZVFWFLSA-N 0 3 349.431 2.160 20 5 EEBDHN NC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000237808011 464382526 /nfs/dbraw/zinc/38/25/26/464382526.db2.gz TWDQTFPWFLCRRR-KRWDZBQOSA-N 0 3 325.368 2.222 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264643607 464407115 /nfs/dbraw/zinc/40/71/15/464407115.db2.gz NLKNETSAMQMJMO-UHFFFAOYSA-N 0 3 343.431 2.217 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CCOCC2)o1 ZINC000237954756 464410154 /nfs/dbraw/zinc/41/01/54/464410154.db2.gz KQOUQIXMDOBPFE-UHFFFAOYSA-N 0 3 331.372 2.277 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000339729987 465474165 /nfs/dbraw/zinc/47/41/65/465474165.db2.gz DCHKTAQJWKNRKP-MRXNPFEDSA-N 0 3 335.404 2.228 20 5 EEBDHN CC1(C)CCCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000343113279 465476441 /nfs/dbraw/zinc/47/64/41/465476441.db2.gz YNURVUFLCZXGGL-UHFFFAOYSA-N 0 3 345.403 2.778 20 5 EEBDHN COC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225426 464524808 /nfs/dbraw/zinc/52/48/08/464524808.db2.gz SVHAMYOINBTEFD-IUODEOHRSA-N 0 3 333.388 2.220 20 5 EEBDHN CCN(CC)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516395 464640525 /nfs/dbraw/zinc/64/05/25/464640525.db2.gz KDQNCBKNQQVVGM-INIZCTEOSA-N 0 3 331.420 2.349 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272540829 464652342 /nfs/dbraw/zinc/65/23/42/464652342.db2.gz BYOMHADDWNGOEY-DOMZBBRYSA-N 0 3 335.429 2.240 20 5 EEBDHN CC(C)N1CCN(C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000282285015 464764078 /nfs/dbraw/zinc/76/40/78/464764078.db2.gz VKRRUUNJWSBAMA-UHFFFAOYSA-N 0 3 347.463 2.172 20 5 EEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295361286 464803597 /nfs/dbraw/zinc/80/35/97/464803597.db2.gz JDNLUPGWXLPSIX-UHFFFAOYSA-N 0 3 338.383 2.014 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286297110 464872188 /nfs/dbraw/zinc/87/21/88/464872188.db2.gz DGQXSPRZFMLGHB-CQSZACIVSA-N 0 3 335.404 2.484 20 5 EEBDHN CCOC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000286308640 464875300 /nfs/dbraw/zinc/87/53/00/464875300.db2.gz WAKBMAWXDVNZGQ-HNNXBMFYSA-N 0 3 335.404 2.135 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C2CCN(C)CC2)c1 ZINC000298373634 465377209 /nfs/dbraw/zinc/37/72/09/465377209.db2.gz AAGZMEWJXQHCSW-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN1C1CC1 ZINC000342935567 465399241 /nfs/dbraw/zinc/39/92/41/465399241.db2.gz SMINHBIDGNBJON-GHMZBOCLSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000343807029 465557358 /nfs/dbraw/zinc/55/73/58/465557358.db2.gz NXLGFYZKQYDGIQ-ZDUSSCGKSA-N 0 3 330.388 2.931 20 5 EEBDHN C[C@@H](NCCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000337799368 465590705 /nfs/dbraw/zinc/59/07/05/465590705.db2.gz HJPAYHXHHZJAIP-CYBMUJFWSA-N 0 3 338.371 2.464 20 5 EEBDHN C[C@H]1CN(C)C[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253821 465865702 /nfs/dbraw/zinc/86/57/02/465865702.db2.gz USKVEPOSFGAIBK-RYUDHWBXSA-N 0 3 331.376 2.298 20 5 EEBDHN CCN(CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493874 465929852 /nfs/dbraw/zinc/92/98/52/465929852.db2.gz ABLQNHMGUQXMHX-KRWDZBQOSA-N 0 3 343.431 2.492 20 5 EEBDHN CC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000340466857 466109204 /nfs/dbraw/zinc/10/92/04/466109204.db2.gz RSIFOSPUJKTOQF-UHFFFAOYSA-N 0 3 343.330 2.297 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000353862282 466207989 /nfs/dbraw/zinc/20/79/89/466207989.db2.gz BWOFTQKSJJOUKX-BZPMIXESSA-N 0 3 326.418 2.081 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353862284 466208175 /nfs/dbraw/zinc/20/81/75/466208175.db2.gz BWOFTQKSJJOUKX-YRGRVCCFSA-N 0 3 326.418 2.081 20 5 EEBDHN COc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000332229940 466457893 /nfs/dbraw/zinc/45/78/93/466457893.db2.gz PSSYHEOBRIUVQJ-GXTWGEPZSA-N 0 3 333.388 2.160 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(CO)cc3)C2)nc1 ZINC000305851059 466481818 /nfs/dbraw/zinc/48/18/18/466481818.db2.gz UWVKFMNIDLBGGN-OAHLLOKOSA-N 0 3 328.372 2.169 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000341057290 466548000 /nfs/dbraw/zinc/54/80/00/466548000.db2.gz VCTFYCIPBDMBKM-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN CCN(CC)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317825109 466583625 /nfs/dbraw/zinc/58/36/25/466583625.db2.gz VURHSNMVIPKBAE-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463870 466587488 /nfs/dbraw/zinc/58/74/88/466587488.db2.gz PYVQJQVFIBLTIA-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463870 466587493 /nfs/dbraw/zinc/58/74/93/466587493.db2.gz PYVQJQVFIBLTIA-JTQLQIEISA-N 0 3 349.840 2.257 20 5 EEBDHN C[C@@H](CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO)c1ccccc1 ZINC000347363036 466591590 /nfs/dbraw/zinc/59/15/90/466591590.db2.gz JKDOWXXIDMRHOG-GJZGRUSLSA-N 0 3 332.404 2.278 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@H]2C[C@H](C)CCN2)c([N+](=O)[O-])c1 ZINC000423241496 466702379 /nfs/dbraw/zinc/70/23/79/466702379.db2.gz YACCGIDHCBMLTD-UKRRQHHQSA-N 0 3 334.420 2.210 20 5 EEBDHN C[C@H](c1cnn(C)c1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411505134 466836598 /nfs/dbraw/zinc/83/65/98/466836598.db2.gz WTSQMNQCEOOSMN-GFCCVEGCSA-N 0 3 331.376 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1NC1CCN([C@H]3CCOC3)CC1)CCN2 ZINC000365550957 466859948 /nfs/dbraw/zinc/85/99/48/466859948.db2.gz UIYMPMGXTRXKQB-ZDUSSCGKSA-N 0 3 332.404 2.228 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C[C@@H]3CO)s2)cc1 ZINC000370398398 466862048 /nfs/dbraw/zinc/86/20/48/466862048.db2.gz HRQMVTBBWPXIQV-ZIAGYGMSSA-N 0 3 334.397 2.251 20 5 EEBDHN COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1[O-] ZINC000377830996 467147963 /nfs/dbraw/zinc/14/79/63/467147963.db2.gz IWNIICJKZYVJBO-GFCCVEGCSA-N 0 3 346.387 2.481 20 5 EEBDHN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCN1CC(C)(C)O ZINC000432180895 467222616 /nfs/dbraw/zinc/22/26/16/467222616.db2.gz XWTMDWLOQXRVIB-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN CN(C(=O)CN[C@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000429311158 467324641 /nfs/dbraw/zinc/32/46/41/467324641.db2.gz BQCACXGXYDMOKG-ZDUSSCGKSA-N 0 3 341.367 2.020 20 5 EEBDHN CNc1nc(C(=O)Nc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000454510292 467597325 /nfs/dbraw/zinc/59/73/25/467597325.db2.gz XLDPUPWSRBCUDO-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EEBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449538101 467659965 /nfs/dbraw/zinc/65/99/65/467659965.db2.gz GZLDYVGVQYZRBX-KOLCDFICSA-N 0 3 348.346 2.496 20 5 EEBDHN C[C@H](CNC(=O)OC(C)(C)C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496749674 467709629 /nfs/dbraw/zinc/70/96/29/467709629.db2.gz UKKQCEFWPIXKFU-BXUZGUMPSA-N 0 3 339.392 2.131 20 5 EEBDHN Cc1nc(N(C)CC2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000450419278 467847306 /nfs/dbraw/zinc/84/73/06/467847306.db2.gz NXNZQKYUSVLNRI-UHFFFAOYSA-N 0 3 342.403 2.441 20 5 EEBDHN CC1(C)CC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567711989 468192139 /nfs/dbraw/zinc/19/21/39/468192139.db2.gz YUAXYRFWTQKEBC-UHFFFAOYSA-N 0 3 326.418 2.394 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195319 468508633 /nfs/dbraw/zinc/50/86/33/468508633.db2.gz FNZGYIOGDOVTAV-OLZOCXBDSA-N 0 3 347.371 2.070 20 5 EEBDHN Cc1nn(-c2ccccc2F)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594498220 468608922 /nfs/dbraw/zinc/60/89/22/468608922.db2.gz OVKCRSIUVJBIAU-UHFFFAOYSA-N 0 3 344.350 2.214 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000594730218 468667255 /nfs/dbraw/zinc/66/72/55/468667255.db2.gz CPVVKEKHAGLSEP-LLVKDONJSA-N 0 3 345.186 2.249 20 5 EEBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000598061886 468755643 /nfs/dbraw/zinc/75/56/43/468755643.db2.gz JDDONAUCAISIDO-UHFFFAOYSA-N 0 3 344.371 2.225 20 5 EEBDHN COc1cccc(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598260776 468809812 /nfs/dbraw/zinc/80/98/12/468809812.db2.gz NTRMCIQERMIDBM-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598589787 468925160 /nfs/dbraw/zinc/92/51/60/468925160.db2.gz JNIWZUKAJSJIQH-NWDGAFQWSA-N 0 3 336.392 2.451 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC2CCCCC2)CC1 ZINC000602769707 469062665 /nfs/dbraw/zinc/06/26/65/469062665.db2.gz OWIYATPNVOURBX-UHFFFAOYSA-N 0 3 335.452 2.298 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000602803907 469085735 /nfs/dbraw/zinc/08/57/35/469085735.db2.gz GZDDLTJCOZDLNS-HNNXBMFYSA-N 0 3 334.351 2.392 20 5 EEBDHN COc1ccc2c(c1)CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602801577 469086402 /nfs/dbraw/zinc/08/64/02/469086402.db2.gz WLCRNJNJGBGCQH-UHFFFAOYSA-N 0 3 330.388 2.209 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000602958997 469190788 /nfs/dbraw/zinc/19/07/88/469190788.db2.gz SGLOZUNVAKFZRA-UHFFFAOYSA-N 0 3 347.419 2.202 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244107 469207244 /nfs/dbraw/zinc/20/72/44/469207244.db2.gz AXGLRTQEFNGFKB-SUMWQHHRSA-N 0 3 346.431 2.070 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619818362 469686598 /nfs/dbraw/zinc/68/65/98/469686598.db2.gz VLIJSGSVYOEJSG-MRXNPFEDSA-N 0 3 334.420 2.263 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000609626456 469951167 /nfs/dbraw/zinc/95/11/67/469951167.db2.gz RVRQZQYVNVTXPK-SFHVURJKSA-N 0 3 333.432 2.324 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610294258 470001220 /nfs/dbraw/zinc/00/12/20/470001220.db2.gz ANZOSVAJMRSCST-CQSZACIVSA-N 0 3 334.420 2.022 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000132118765 534321823 /nfs/dbraw/zinc/32/18/23/534321823.db2.gz QHWXZMWNCGDWDD-OAHLLOKOSA-N 0 3 345.374 2.460 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000733165782 577206110 /nfs/dbraw/zinc/20/61/10/577206110.db2.gz MCPMMTRRPILKOH-INIZCTEOSA-N 0 3 345.403 2.097 20 5 EEBDHN COc1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000771804237 577231036 /nfs/dbraw/zinc/23/10/36/577231036.db2.gz CSHNPYCACLDJAL-JTQLQIEISA-N 0 3 332.303 2.065 20 5 EEBDHN CCN(CC)CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772055554 577248328 /nfs/dbraw/zinc/24/83/28/577248328.db2.gz XUENDDRJBPHBGX-UHFFFAOYSA-N 0 3 332.360 2.279 20 5 EEBDHN NC(=O)CCN(Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273897 577456230 /nfs/dbraw/zinc/45/62/30/577456230.db2.gz DXLLTAPEHJJIBX-KRWDZBQOSA-N 0 3 343.383 2.006 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H](N4CC=CC4)C3)c2)cc1 ZINC000742161071 578128156 /nfs/dbraw/zinc/12/81/56/578128156.db2.gz FEHNBBCJEPQUDN-GOSISDBHSA-N 0 3 339.399 2.362 20 5 EEBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824261110 607736358 /nfs/dbraw/zinc/73/63/58/607736358.db2.gz AOHCIXPWMLOSAJ-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824261110 607736359 /nfs/dbraw/zinc/73/63/59/607736359.db2.gz AOHCIXPWMLOSAJ-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824261110 607736360 /nfs/dbraw/zinc/73/63/60/607736360.db2.gz AOHCIXPWMLOSAJ-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824261110 607736361 /nfs/dbraw/zinc/73/63/61/607736361.db2.gz AOHCIXPWMLOSAJ-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000891345648 676413895 /nfs/dbraw/zinc/41/38/95/676413895.db2.gz XOWTUFQUMNHRKC-YUMQZZPRSA-N 0 3 336.270 2.014 20 5 EEBDHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330355 684505697 /nfs/dbraw/zinc/50/56/97/684505697.db2.gz LKEHNOQEQURIHV-WMLDXEAASA-N 0 3 332.356 2.172 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000072729573 1192964755 /nfs/dbraw/zinc/96/47/55/1192964755.db2.gz HNUGQKVZMZSPPV-UHFFFAOYSA-N 0 3 342.399 2.381 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCc3cccnc32)c1 ZINC000905601551 1189788447 /nfs/dbraw/zinc/78/84/47/1189788447.db2.gz JPQHLIZKQXEUAY-DOTOQJQBSA-N 0 3 343.383 2.397 20 5 EEBDHN Cc1c(C(=O)NC[C@@H]2Cc3ccccc3CN2)cccc1[N+](=O)[O-] ZINC000877345992 1199909530 /nfs/dbraw/zinc/90/95/30/1199909530.db2.gz FMFCJLBFQGMRPJ-HNNXBMFYSA-N 0 3 325.368 2.348 20 5 EEBDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111493 1201122914 /nfs/dbraw/zinc/12/29/14/1201122914.db2.gz TZFLRTQLBTUITI-JTQLQIEISA-N 0 3 335.335 2.379 20 5 EEBDHN CC(C)c1ccc(N2CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813113549 1201124334 /nfs/dbraw/zinc/12/43/34/1201124334.db2.gz RLAWAHWFQYDBCD-SWLSCSKDSA-N 0 3 334.372 2.371 20 5 EEBDHN Cc1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000882815468 1201949480 /nfs/dbraw/zinc/94/94/80/1201949480.db2.gz ISVKHYQIAWNQGS-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001020092228 1229480314 /nfs/dbraw/zinc/48/03/14/1229480314.db2.gz WAMWABQWNFTFLU-HDJSIYSDSA-N 0 3 344.346 2.180 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097185471 1243798406 /nfs/dbraw/zinc/79/84/06/1243798406.db2.gz ZAFCBMMKEVASQP-OKILXGFUSA-N 0 3 334.420 2.304 20 5 EEBDHN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4c(s3)CCNC4)n2)nc1 ZINC000854142721 1292644359 /nfs/dbraw/zinc/64/43/59/1292644359.db2.gz XLCKVXBDJQGTSQ-UHFFFAOYSA-N 0 3 343.368 2.338 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN[C@H](C(C)C)C2)c1F ZINC000856490066 1293546538 /nfs/dbraw/zinc/54/65/38/1293546538.db2.gz VEQJHQGNZJUNRU-JTQLQIEISA-N 0 3 327.331 2.251 20 5 EEBDHN CC([C@@H](OC(=O)c1cn(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000860854447 1295142768 /nfs/dbraw/zinc/14/27/68/1295142768.db2.gz AERCCFQIMINKNF-LKFCYVNXSA-N 0 3 334.307 2.315 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1F ZINC001215647851 1296961884 /nfs/dbraw/zinc/96/18/84/1296961884.db2.gz BFXXDMWUPFMYBE-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN Cc1ccc(NCCN(C)C(=O)CN(C)C2CCC2)c([N+](=O)[O-])c1 ZINC001102017415 1300147345 /nfs/dbraw/zinc/14/73/45/1300147345.db2.gz XPRYPYHPCQWFNC-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000783559114 1304298834 /nfs/dbraw/zinc/29/88/34/1304298834.db2.gz JITJDWNIYUAYHH-HZPDHXFCSA-N 0 3 339.823 2.279 20 5 EEBDHN N[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001118261601 1306327398 /nfs/dbraw/zinc/32/73/98/1306327398.db2.gz ZISBBDBYUFVUHF-QGZVFWFLSA-N 0 3 346.431 2.151 20 5 EEBDHN CCOC(=O)c1ccnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585392 1318132101 /nfs/dbraw/zinc/13/21/01/1318132101.db2.gz WLMVCYLTXURWKH-HNNXBMFYSA-N 0 3 341.367 2.424 20 5 EEBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001159631266 1319926209 /nfs/dbraw/zinc/92/62/09/1319926209.db2.gz LVNZEEPESCXPFN-UHFFFAOYSA-N 0 3 328.372 2.449 20 5 EEBDHN Cc1noc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001160633239 1320217689 /nfs/dbraw/zinc/21/76/89/1320217689.db2.gz JJGPRNRDEVPZAP-UHFFFAOYSA-N 0 3 332.360 2.109 20 5 EEBDHN O=C(Cc1ccccc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001161123810 1320394325 /nfs/dbraw/zinc/39/43/25/1320394325.db2.gz CJQCHVOMQMEUQC-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001262706233 1322354617 /nfs/dbraw/zinc/35/46/17/1322354617.db2.gz HKCRBSWPAHCZJB-CYBMUJFWSA-N 0 3 346.431 2.408 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609075923 1351832123 /nfs/dbraw/zinc/83/21/23/1351832123.db2.gz QQXFHRXIUJOUOW-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609075923 1351832125 /nfs/dbraw/zinc/83/21/25/1351832125.db2.gz QQXFHRXIUJOUOW-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@@H+]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609075923 1351832127 /nfs/dbraw/zinc/83/21/27/1351832127.db2.gz QQXFHRXIUJOUOW-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)(C)[N@H+]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609075923 1351832131 /nfs/dbraw/zinc/83/21/31/1351832131.db2.gz QQXFHRXIUJOUOW-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093200 1351840194 /nfs/dbraw/zinc/84/01/94/1351840194.db2.gz SXWKTPDRYWTXBS-NSHDSACASA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093200 1351840199 /nfs/dbraw/zinc/84/01/99/1351840199.db2.gz SXWKTPDRYWTXBS-NSHDSACASA-N 0 3 333.396 2.163 20 5 EEBDHN CC1(C)CCC[N@H+](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609145119 1351861124 /nfs/dbraw/zinc/86/11/24/1351861124.db2.gz AZBOUJAOEDVTEX-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CC1(C)CCC[N@@H+](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609145119 1351861128 /nfs/dbraw/zinc/86/11/28/1351861128.db2.gz AZBOUJAOEDVTEX-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC001327692263 1334335628 /nfs/dbraw/zinc/33/56/28/1334335628.db2.gz NOYDSVHIQOCYQS-UHFFFAOYSA-N 0 3 341.415 2.439 20 5 EEBDHN CC([C@H](OC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC001346536073 1337486006 /nfs/dbraw/zinc/48/60/06/1337486006.db2.gz VEXXFHLJTZLXGU-YVLXSGLVSA-N 0 3 338.335 2.086 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603077858 1350634441 /nfs/dbraw/zinc/63/44/41/1350634441.db2.gz LDDYSWOWTDEPSZ-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603077858 1350634444 /nfs/dbraw/zinc/63/44/44/1350634444.db2.gz LDDYSWOWTDEPSZ-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603077858 1350634446 /nfs/dbraw/zinc/63/44/46/1350634446.db2.gz LDDYSWOWTDEPSZ-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603077858 1350634449 /nfs/dbraw/zinc/63/44/49/1350634449.db2.gz LDDYSWOWTDEPSZ-LLVKDONJSA-N 0 3 345.407 2.307 20 5 EEBDHN C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604679877 1350983488 /nfs/dbraw/zinc/98/34/88/1350983488.db2.gz OGOGRTPLJDVPFJ-ZIAGYGMSSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604679877 1350983492 /nfs/dbraw/zinc/98/34/92/1350983492.db2.gz OGOGRTPLJDVPFJ-ZIAGYGMSSA-N 0 3 331.380 2.060 20 5 EEBDHN COCC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591424401 1403910679 /nfs/dbraw/zinc/91/06/79/1403910679.db2.gz BFQUQZXLEGUCOI-UHFFFAOYSA-N 0 3 346.391 2.166 20 5 EEBDHN COCC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591424401 1403910681 /nfs/dbraw/zinc/91/06/81/1403910681.db2.gz BFQUQZXLEGUCOI-UHFFFAOYSA-N 0 3 346.391 2.166 20 5 EEBDHN COCC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591424401 1403910689 /nfs/dbraw/zinc/91/06/89/1403910689.db2.gz BFQUQZXLEGUCOI-UHFFFAOYSA-N 0 3 346.391 2.166 20 5 EEBDHN COCC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591424401 1403910695 /nfs/dbraw/zinc/91/06/95/1403910695.db2.gz BFQUQZXLEGUCOI-UHFFFAOYSA-N 0 3 346.391 2.166 20 5 EEBDHN CCN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000910291111 786651282 /nfs/dbraw/zinc/65/12/82/786651282.db2.gz DEATXMPTICTHLH-NSHDSACASA-N 0 3 331.376 2.027 20 5 EEBDHN Cc1ccc(NC/C=C\CNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001107379653 787069372 /nfs/dbraw/zinc/06/93/72/787069372.db2.gz MTAYXBMSGGEUTI-PLNGDYQASA-N 0 3 346.431 2.472 20 5 EEBDHN O=C(CCN1C[C@H]2[C@@H](C1)C2(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000844457543 789114541 /nfs/dbraw/zinc/11/45/41/789114541.db2.gz LESZMCUXIXTIID-AOOOYVTPSA-N 0 3 329.278 2.259 20 5 EEBDHN CCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845873996 789971907 /nfs/dbraw/zinc/97/19/07/789971907.db2.gz FTPDZHSPFUDEAT-QMTHXVAHSA-N 0 3 336.323 2.391 20 5 EEBDHN Cc1ccn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(=O)c1 ZINC000845882271 789973856 /nfs/dbraw/zinc/97/38/56/789973856.db2.gz ODBOHBGHDOKTNT-SJCJKPOMSA-N 0 3 348.330 2.246 20 5 EEBDHN CC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC001168458218 795135061 /nfs/dbraw/zinc/13/50/61/795135061.db2.gz OHCZLRKNAXBALV-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001095233705 797566303 /nfs/dbraw/zinc/56/63/03/797566303.db2.gz MHSZFLNPGPQHJO-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110193557 798368421 /nfs/dbraw/zinc/36/84/21/798368421.db2.gz LXZFQXPAULNVHW-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN Cc1cc(NC2(CNC(=O)C3(N(C)C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001110253108 801053268 /nfs/dbraw/zinc/05/32/68/801053268.db2.gz KHJSCPLYUSQBOR-UHFFFAOYSA-N 0 3 346.431 2.448 20 5 EEBDHN CC(C)(C)OC(=O)N[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037535 803581560 /nfs/dbraw/zinc/58/15/60/803581560.db2.gz SBUBPQQEXPUUDO-IGQOVBAYSA-N 0 3 345.415 2.369 20 5 EEBDHN O=C(CCc1ccsc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129468052 810857916 /nfs/dbraw/zinc/85/79/16/810857916.db2.gz DMKRANDMUZPWBA-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN Cc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001130138160 811211937 /nfs/dbraw/zinc/21/19/37/811211937.db2.gz YUZPLSVJOCYPPN-UHFFFAOYSA-N 0 3 334.401 2.188 20 5 EEBDHN CC(C)(C)n1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001130697372 811951082 /nfs/dbraw/zinc/95/10/82/811951082.db2.gz PCEYJDKUZWDFRY-UHFFFAOYSA-N 0 3 345.403 2.066 20 5 EEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479574 243128589 /nfs/dbraw/zinc/12/85/89/243128589.db2.gz NMTIGFZAQSWSOW-USXIJHARSA-N 0 3 347.415 2.351 20 5 EEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000073996655 203278555 /nfs/dbraw/zinc/27/85/55/203278555.db2.gz UJQGMFSJCVSWTK-UONOGXRCSA-N 0 3 332.404 2.092 20 5 EEBDHN CC[C@@H](C)[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380958 204395588 /nfs/dbraw/zinc/39/55/88/204395588.db2.gz RMPFMWVJEAZMEB-MLGOLLRUSA-N 0 3 332.404 2.492 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000156125418 206056285 /nfs/dbraw/zinc/05/62/85/206056285.db2.gz VPTSNRJCLHFHHR-GFCCVEGCSA-N 0 3 336.392 2.409 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)cc1SC ZINC000264200813 246175668 /nfs/dbraw/zinc/17/56/68/246175668.db2.gz RWLQKZWKQRNDQT-SECBINFHSA-N 0 3 327.406 2.005 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176686139 207250602 /nfs/dbraw/zinc/25/06/02/207250602.db2.gz WVJYOPXJXFJPAV-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177042802 207288353 /nfs/dbraw/zinc/28/83/53/207288353.db2.gz INTQHNFRXAIWOM-CHWSQXEVSA-N 0 3 332.404 2.138 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141086 256118009 /nfs/dbraw/zinc/11/80/09/256118009.db2.gz DFDBIZPQNBUVSO-SUMWQHHRSA-N 0 3 346.431 2.386 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272825958 256242235 /nfs/dbraw/zinc/24/22/35/256242235.db2.gz MAZWBOGXTPUJHQ-BXUZGUMPSA-N 0 3 334.376 2.161 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CCO)c1ccccc1 ZINC000273168387 256272527 /nfs/dbraw/zinc/27/25/27/256272527.db2.gz OONMAXPYXCCQRA-JKSUJKDBSA-N 0 3 346.383 2.048 20 5 EEBDHN COc1ccc(CNCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072712980 159043760 /nfs/dbraw/zinc/04/37/60/159043760.db2.gz WANCNZSXYCXRIU-UHFFFAOYSA-N 0 3 332.356 2.264 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083026347 159160356 /nfs/dbraw/zinc/16/03/56/159160356.db2.gz JRFUUCLSNMVAKD-GASCZTMLSA-N 0 3 349.431 2.143 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000109688847 159351189 /nfs/dbraw/zinc/35/11/89/159351189.db2.gz CNLGCCDZXGRNSB-LLVKDONJSA-N 0 3 335.408 2.017 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000247448068 160325108 /nfs/dbraw/zinc/32/51/08/160325108.db2.gz YQSUSAQGHMBYIF-XHDPSFHLSA-N 0 3 343.387 2.027 20 5 EEBDHN Cc1nccn1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342858579 161095925 /nfs/dbraw/zinc/09/59/25/161095925.db2.gz AZNBYGVJUGNKOI-CQSZACIVSA-N 0 3 330.392 2.071 20 5 EEBDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390201 161131460 /nfs/dbraw/zinc/13/14/60/161131460.db2.gz MAOVGGTVIWHZCC-CJNGLKHVSA-N 0 3 346.387 2.440 20 5 EEBDHN Cc1cc(NC[C@@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000343592162 161149857 /nfs/dbraw/zinc/14/98/57/161149857.db2.gz CHHSKPMFSSUWTE-ZDUSSCGKSA-N 0 3 349.412 2.253 20 5 EEBDHN Cn1c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000345058382 161268026 /nfs/dbraw/zinc/26/80/26/161268026.db2.gz USMHTAUOKKAZDQ-UHFFFAOYSA-N 0 3 346.387 2.263 20 5 EEBDHN CN(C)Cc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345907749 161341224 /nfs/dbraw/zinc/34/12/24/161341224.db2.gz AKNQYJWXLVUMSI-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2ccccc2n1 ZINC000352551202 162183198 /nfs/dbraw/zinc/18/31/98/162183198.db2.gz WKSPOWVHVCDMAR-UHFFFAOYSA-N 0 3 338.367 2.277 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](N2CCCC2)C[C@H]1C ZINC000352802995 162292704 /nfs/dbraw/zinc/29/27/04/162292704.db2.gz NHWBBGHMCXSOGM-GDBMZVCRSA-N 0 3 346.431 2.400 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356145863 163349200 /nfs/dbraw/zinc/34/92/00/163349200.db2.gz OTVQEOCMBXAOOR-OAHLLOKOSA-N 0 3 345.403 2.141 20 5 EEBDHN Cc1ccnc(N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000364945286 165328564 /nfs/dbraw/zinc/32/85/64/165328564.db2.gz QLCVQACJURJIEB-UHFFFAOYSA-N 0 3 347.463 2.152 20 5 EEBDHN CN1CCN(CCCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000274748317 269048975 /nfs/dbraw/zinc/04/89/75/269048975.db2.gz NMVSTJKRTYOGQR-UHFFFAOYSA-N 0 3 329.404 2.096 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(c2ccnn2C)C1 ZINC000278502976 269234544 /nfs/dbraw/zinc/23/45/44/269234544.db2.gz OHAUWJSRZDTDGW-HNNXBMFYSA-N 0 3 329.404 2.395 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000338697405 274118452 /nfs/dbraw/zinc/11/84/52/274118452.db2.gz XLGGIYBOPDRKBW-GOEBONIOSA-N 0 3 348.447 2.066 20 5 EEBDHN Cn1ccnc1[C@H](NCC1=CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557572 274175503 /nfs/dbraw/zinc/17/55/03/274175503.db2.gz SNGNJTQQYDCDIN-QGZVFWFLSA-N 0 3 341.415 2.269 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278589085 274378441 /nfs/dbraw/zinc/37/84/41/274378441.db2.gz QLINFIUCEIFCMB-RZIFZGNASA-N 0 3 347.415 2.225 20 5 EEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121317030 274979807 /nfs/dbraw/zinc/97/98/07/274979807.db2.gz HQKCHRMACCOMPM-UHFFFAOYSA-N 0 3 340.383 2.500 20 5 EEBDHN COc1ccc(C[C@H](CO)CNCc2ccccc2[N+](=O)[O-])cc1O ZINC000289525633 275124354 /nfs/dbraw/zinc/12/43/54/275124354.db2.gz VSGSYOXUIIOQHZ-AWEZNQCLSA-N 0 3 346.383 2.250 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290202019 275188929 /nfs/dbraw/zinc/18/89/29/275188929.db2.gz UATJKMZAXHKEQY-KRWDZBQOSA-N 0 3 342.399 2.475 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000291607343 275322270 /nfs/dbraw/zinc/32/22/70/275322270.db2.gz CDLLIUXMVLZPJN-SFHVURJKSA-N 0 3 344.415 2.109 20 5 EEBDHN C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)CN1 ZINC000237724550 278396042 /nfs/dbraw/zinc/39/60/42/278396042.db2.gz AAUWKXPFBLJTDW-KBPBESRZSA-N 0 3 346.431 2.020 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CNCCC1(F)F ZINC000423702806 280398242 /nfs/dbraw/zinc/39/82/42/280398242.db2.gz YWOVETONLSHHRD-NSHDSACASA-N 0 3 327.331 2.247 20 5 EEBDHN CC1CCN(c2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000120346566 281839392 /nfs/dbraw/zinc/83/93/92/281839392.db2.gz QQTSTCLXESKOHR-UHFFFAOYSA-N 0 3 334.420 2.123 20 5 EEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160230946 311351376 /nfs/dbraw/zinc/35/13/76/311351376.db2.gz MIIJNYIGUNIGSP-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190625 311826323 /nfs/dbraw/zinc/82/63/23/311826323.db2.gz PPKYEIFLUDSGKE-GLQYFDAESA-N 0 3 341.433 2.106 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342304034 312263912 /nfs/dbraw/zinc/26/39/12/312263912.db2.gz DIDDDTZGESUTFI-CHWSQXEVSA-N 0 3 337.445 2.486 20 5 EEBDHN CCN1CCC(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000411477464 312541568 /nfs/dbraw/zinc/54/15/68/312541568.db2.gz RZOXKYLFSUMFDQ-CQSZACIVSA-N 0 3 348.447 2.154 20 5 EEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416655411 313287152 /nfs/dbraw/zinc/28/71/52/313287152.db2.gz BABMQROLDGDUSO-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1F)C1(O)CCOCC1 ZINC000418126579 313720252 /nfs/dbraw/zinc/72/02/52/313720252.db2.gz LVPAQJORFJIFGC-UHFFFAOYSA-N 0 3 326.368 2.391 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440072614 315110796 /nfs/dbraw/zinc/11/07/96/315110796.db2.gz CMXFMAKEJNNRRY-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000441376045 315183477 /nfs/dbraw/zinc/18/34/77/315183477.db2.gz IZOMSUHBDFYLPG-TZMCWYRMSA-N 0 3 349.387 2.392 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342606 315243077 /nfs/dbraw/zinc/24/30/77/315243077.db2.gz FFAXWRMWUKVJAS-GZBFAFLISA-N 0 3 338.404 2.464 20 5 EEBDHN CC(COC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000496841356 316291322 /nfs/dbraw/zinc/29/13/22/316291322.db2.gz VPANHGNRBCVQGY-NWDGAFQWSA-N 0 3 342.392 2.232 20 5 EEBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011546 316947036 /nfs/dbraw/zinc/94/70/36/316947036.db2.gz OUBNZTYKKHANGL-AQUOVQTQSA-N 0 3 341.795 2.324 20 5 EEBDHN COc1ccc(CC(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000524312526 317013640 /nfs/dbraw/zinc/01/36/40/317013640.db2.gz XIEWPTYVUWMPIN-CYBMUJFWSA-N 0 3 335.404 2.137 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720667 317024289 /nfs/dbraw/zinc/02/42/89/317024289.db2.gz KAYLYGHKCPWQAV-CQSZACIVSA-N 0 3 334.420 2.245 20 5 EEBDHN C[C@@H]1C[C@@H](C)CN(CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839264 320209525 /nfs/dbraw/zinc/20/95/25/320209525.db2.gz WQBATVUBJYQOKR-VXGBXAGGSA-N 0 3 331.372 2.169 20 5 EEBDHN CCOc1cccc(NC[C@@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000183143713 323399525 /nfs/dbraw/zinc/39/95/25/323399525.db2.gz FYWQVJBRTBLDQB-CQSZACIVSA-N 0 3 336.436 2.431 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000491353254 448003337 /nfs/dbraw/zinc/00/33/37/448003337.db2.gz UWSUPYMTPWBSGW-VOTSOKGWSA-N 0 3 329.360 2.005 20 5 EEBDHN CN(CCN(C)C1CC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000184789793 465026269 /nfs/dbraw/zinc/02/62/69/465026269.db2.gz RCPMCLSISZBQHX-UHFFFAOYSA-N 0 3 332.404 2.017 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339061128 465059488 /nfs/dbraw/zinc/05/94/88/465059488.db2.gz WMCGHAUYYAZSRV-VIFPVBQESA-N 0 3 331.294 2.295 20 5 EEBDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000296114543 465085799 /nfs/dbraw/zinc/08/57/99/465085799.db2.gz QOASHSMISBAZPU-LBPRGKRZSA-N 0 3 331.376 2.491 20 5 EEBDHN COc1cc(N2CCC(OCCN(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000351447601 465160384 /nfs/dbraw/zinc/16/03/84/465160384.db2.gz CPMZHXQFOOFESW-UHFFFAOYSA-N 0 3 341.383 2.290 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000045753667 462614652 /nfs/dbraw/zinc/61/46/52/462614652.db2.gz BJVBRIINSVHYDK-AWEZNQCLSA-N 0 3 346.431 2.482 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000045753683 462615026 /nfs/dbraw/zinc/61/50/26/462615026.db2.gz GXYISFZXASTGDR-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN CCN1CCN([C@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153585551 462666463 /nfs/dbraw/zinc/66/64/63/462666463.db2.gz FJRQIUGASAYNSL-LLVKDONJSA-N 0 3 327.816 2.081 20 5 EEBDHN CNc1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047119591 462745535 /nfs/dbraw/zinc/74/55/35/462745535.db2.gz MYIPVXCAAXROBV-OLZOCXBDSA-N 0 3 334.420 2.487 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270758 462748795 /nfs/dbraw/zinc/74/87/95/462748795.db2.gz UDWBSBNVZLOMTD-RYUDHWBXSA-N 0 3 344.433 2.467 20 5 EEBDHN CC1(C)CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015529 462766769 /nfs/dbraw/zinc/76/67/69/462766769.db2.gz IURRXMSBDFQOTK-AWEZNQCLSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000117785408 462812354 /nfs/dbraw/zinc/81/23/54/462812354.db2.gz LGFMQVSBNLTUOM-SNVBAGLBSA-N 0 3 325.796 2.390 20 5 EEBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000050573896 463001595 /nfs/dbraw/zinc/00/15/95/463001595.db2.gz KHEQARGNNYUDBV-JTQLQIEISA-N 0 3 334.401 2.398 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC[C@H](C)C1 ZINC000068118554 463095195 /nfs/dbraw/zinc/09/51/95/463095195.db2.gz CXKKRSUDYOUVMD-QWRGUYRKSA-N 0 3 338.383 2.166 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163028954 463558191 /nfs/dbraw/zinc/55/81/91/463558191.db2.gz OBAPXLCYBUUNFU-VHSXEESVSA-N 0 3 327.768 2.201 20 5 EEBDHN CCOc1ccc([C@H](C)NCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000152528396 463700538 /nfs/dbraw/zinc/70/05/38/463700538.db2.gz NRVBGLLPOSIZPI-AWEZNQCLSA-N 0 3 337.420 2.366 20 5 EEBDHN CCN1CCN([C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363095 463720468 /nfs/dbraw/zinc/72/04/68/463720468.db2.gz FRJRPOPUVSBQBC-LZCIBIBXSA-N 0 3 344.459 2.320 20 5 EEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCC[C@@H](C)C1 ZINC000283432747 463882856 /nfs/dbraw/zinc/88/28/56/463882856.db2.gz JIQXJPGXBOIQMG-MNOVXSKESA-N 0 3 338.383 2.166 20 5 EEBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000279692414 464128481 /nfs/dbraw/zinc/12/84/81/464128481.db2.gz GEUZFPIZYTXDSR-HNNXBMFYSA-N 0 3 331.372 2.495 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(CCCc2ccccc2)CC1 ZINC000263755224 464180025 /nfs/dbraw/zinc/18/00/25/464180025.db2.gz TWRFULRDENBTET-UHFFFAOYSA-N 0 3 343.431 2.473 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000173612324 464293405 /nfs/dbraw/zinc/29/34/05/464293405.db2.gz FZCDOYPYXYGPTN-UHFFFAOYSA-N 0 3 334.420 2.178 20 5 EEBDHN CN(C)[C@H]1CCC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443716 464312695 /nfs/dbraw/zinc/31/26/95/464312695.db2.gz VVTFKHUQKOLTLZ-ZJUUUORDSA-N 0 3 347.462 2.345 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000264600385 464390034 /nfs/dbraw/zinc/39/00/34/464390034.db2.gz NGVUAZYKJPMLEH-MRXNPFEDSA-N 0 3 346.431 2.402 20 5 EEBDHN CN(C(=O)CN1CC[C@H](N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000264622174 464398565 /nfs/dbraw/zinc/39/85/65/464398565.db2.gz RXQHTUMZEWFBKB-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN CN(C(=O)CN1CC[C@@H](N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000264622176 464398749 /nfs/dbraw/zinc/39/87/49/464398749.db2.gz RXQHTUMZEWFBKB-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237905043 464401375 /nfs/dbraw/zinc/40/13/75/464401375.db2.gz OXAPZGNLPZPYNG-CABZTGNLSA-N 0 3 347.824 2.044 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537805 464503801 /nfs/dbraw/zinc/50/38/01/464503801.db2.gz SZYVMTDEKOXTOE-MLGOLLRUSA-N 0 3 332.356 2.391 20 5 EEBDHN COCCN1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265425762 464553534 /nfs/dbraw/zinc/55/35/34/464553534.db2.gz SPGBLWYLCWCOHI-NSHDSACASA-N 0 3 342.783 2.090 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294669564 464569535 /nfs/dbraw/zinc/56/95/35/464569535.db2.gz ZUJJGGGSADLQFF-NSHDSACASA-N 0 3 339.367 2.204 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190047483 464590542 /nfs/dbraw/zinc/59/05/42/464590542.db2.gz FAXMJFOJDNLEIS-WBMJQRKESA-N 0 3 330.388 2.198 20 5 EEBDHN CCOC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182246824 464610414 /nfs/dbraw/zinc/61/04/14/464610414.db2.gz GGLVZAUHKZEUGD-CABCVRRESA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987403 464764732 /nfs/dbraw/zinc/76/47/32/464764732.db2.gz XNLAIQWMXQJWAD-AAEUAGOBSA-N 0 3 347.371 2.022 20 5 EEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000295268848 464768951 /nfs/dbraw/zinc/76/89/51/464768951.db2.gz OHTPLIPMGBYVTO-NSHDSACASA-N 0 3 339.367 2.156 20 5 EEBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465099 464829300 /nfs/dbraw/zinc/82/93/00/464829300.db2.gz KERMPZHTVQGKLO-GDBMZVCRSA-N 0 3 326.368 2.390 20 5 EEBDHN CCO[C@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465104 464829536 /nfs/dbraw/zinc/82/95/36/464829536.db2.gz KERMPZHTVQGKLO-GOEBONIOSA-N 0 3 326.368 2.390 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN1C1CC1 ZINC000342935574 465399365 /nfs/dbraw/zinc/39/93/65/465399365.db2.gz SMINHBIDGNBJON-WDEREUQCSA-N 0 3 328.372 2.431 20 5 EEBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(C)CC1 ZINC000298656951 465462336 /nfs/dbraw/zinc/46/23/36/465462336.db2.gz GXHYJFLQDWZSNY-NSHDSACASA-N 0 3 340.811 2.213 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000298861644 465526922 /nfs/dbraw/zinc/52/69/22/465526922.db2.gz CYYKURKFUIAXNA-LBPRGKRZSA-N 0 3 328.372 2.100 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000298861644 465526928 /nfs/dbraw/zinc/52/69/28/465526928.db2.gz CYYKURKFUIAXNA-LBPRGKRZSA-N 0 3 328.372 2.100 20 5 EEBDHN CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000352633627 465544311 /nfs/dbraw/zinc/54/43/11/465544311.db2.gz QPWKIYVGDPBKEM-UHFFFAOYSA-N 0 3 330.388 2.585 20 5 EEBDHN CCS(=O)(=O)C[C@@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353028608 465587545 /nfs/dbraw/zinc/58/75/45/465587545.db2.gz BTUVMJPIONAGJV-SNVBAGLBSA-N 0 3 334.825 2.204 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CN(C)C[C@@H]3C)n2)c1 ZINC000361252294 465863758 /nfs/dbraw/zinc/86/37/58/465863758.db2.gz OPMUUHKGVBGSSY-GWCFXTLKSA-N 0 3 332.360 2.242 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279193 466055610 /nfs/dbraw/zinc/05/56/10/466055610.db2.gz VENKWGRQLWVALA-DZKIICNBSA-N 0 3 347.415 2.162 20 5 EEBDHN O=C([C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331696110 466202492 /nfs/dbraw/zinc/20/24/92/466202492.db2.gz VLWYAAMUOGCUHU-MRXNPFEDSA-N 0 3 331.416 2.472 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)Cc1ccccc1 ZINC000346857874 466203833 /nfs/dbraw/zinc/20/38/33/466203833.db2.gz XCNOJYIOYZPGIW-CYBMUJFWSA-N 0 3 330.388 2.184 20 5 EEBDHN C[C@H](O)[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241683 466265940 /nfs/dbraw/zinc/26/59/40/466265940.db2.gz SKTBMLIWQSDQQS-JSGCOSHPSA-N 0 3 349.387 2.128 20 5 EEBDHN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1=CCN(C)CC1 ZINC000358115474 466469492 /nfs/dbraw/zinc/46/94/92/466469492.db2.gz DEPZTQWPFSFJPW-LLVKDONJSA-N 0 3 328.372 2.456 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000332356049 466524441 /nfs/dbraw/zinc/52/44/41/466524441.db2.gz ZMTMEKAXXAHROH-DZGCQCFKSA-N 0 3 346.431 2.408 20 5 EEBDHN CCC[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318533 466558397 /nfs/dbraw/zinc/55/83/97/466558397.db2.gz UBVKJBOEYQBUSO-DOMZBBRYSA-N 0 3 326.418 2.460 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1ncc([N+](=O)[O-])cc1C ZINC000341078724 466565205 /nfs/dbraw/zinc/56/52/05/466565205.db2.gz ZYQDHPJFIDDUBR-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN C[C@H]1COCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372925128 466639278 /nfs/dbraw/zinc/63/92/78/466639278.db2.gz JNUABBPHJOAKMG-LLVKDONJSA-N 0 3 325.340 2.031 20 5 EEBDHN CCOC(=O)c1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676367 466885315 /nfs/dbraw/zinc/88/53/15/466885315.db2.gz WEMRIIRJPKHNKS-KGLIPLIRSA-N 0 3 349.387 2.047 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000417711879 466915692 /nfs/dbraw/zinc/91/56/92/466915692.db2.gz DYLHDBHPWXZNST-UONOGXRCSA-N 0 3 349.435 2.097 20 5 EEBDHN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1[C@H](C)CC[C@H]1C ZINC000365928627 466991372 /nfs/dbraw/zinc/99/13/72/466991372.db2.gz ORRHDWXCMRBCMG-MGPQQGTHSA-N 0 3 349.435 2.216 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000377132153 467037460 /nfs/dbraw/zinc/03/74/60/467037460.db2.gz WPQUAAYOPGZPTG-OWCLPIDISA-N 0 3 342.399 2.333 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CNC(=O)N2C)CC1 ZINC000425547848 467108994 /nfs/dbraw/zinc/10/89/94/467108994.db2.gz VWUYQTMHZDWFQU-CYBMUJFWSA-N 0 3 332.404 2.454 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452368210 467360298 /nfs/dbraw/zinc/36/02/98/467360298.db2.gz QMGWYXZUNYZHKC-OAHLLOKOSA-N 0 3 349.431 2.295 20 5 EEBDHN CCC[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116541 467455771 /nfs/dbraw/zinc/45/57/71/467455771.db2.gz IRZIZKBSONOUAL-ZFWWWQNUSA-N 0 3 341.433 2.060 20 5 EEBDHN Cc1sc(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420741345 467469205 /nfs/dbraw/zinc/46/92/05/467469205.db2.gz HNMLQZWXVJXGPV-UHFFFAOYSA-N 0 3 347.462 2.116 20 5 EEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448962219 467608594 /nfs/dbraw/zinc/60/85/94/467608594.db2.gz PWHKYENDTIOXDZ-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000449233558 467625135 /nfs/dbraw/zinc/62/51/35/467625135.db2.gz MDSZNZKPZIFEFF-JSGCOSHPSA-N 0 3 326.418 2.083 20 5 EEBDHN Cn1nccc1[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585490 467666484 /nfs/dbraw/zinc/66/64/84/467666484.db2.gz FERCIIRHCYHWCB-LRDDRELGSA-N 0 3 334.351 2.477 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493100794 467841397 /nfs/dbraw/zinc/84/13/97/467841397.db2.gz WPCYHGUALZUFFV-VWEWAFOGSA-N 0 3 333.363 2.300 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493788804 467983873 /nfs/dbraw/zinc/98/38/73/467983873.db2.gz LNOBLEUDYHKUSX-SREVYHEPSA-N 0 3 329.360 2.005 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966259 468060884 /nfs/dbraw/zinc/06/08/84/468060884.db2.gz LSBNASPOHIQXQR-JCGVRSQUSA-N 0 3 344.367 2.446 20 5 EEBDHN C[C@H](C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000582521237 468551323 /nfs/dbraw/zinc/55/13/23/468551323.db2.gz RASPEBYWHNOGAS-WMLDXEAASA-N 0 3 349.431 2.268 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000594730219 468667356 /nfs/dbraw/zinc/66/73/56/468667356.db2.gz CPVVKEKHAGLSEP-NSHDSACASA-N 0 3 345.186 2.249 20 5 EEBDHN Cn1ncc(C2CC2)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594733563 468667907 /nfs/dbraw/zinc/66/79/07/468667907.db2.gz YJGGYDRBQBFCKZ-UHFFFAOYSA-N 0 3 343.387 2.324 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCOCC1(C)C ZINC000595010034 468742605 /nfs/dbraw/zinc/74/26/05/468742605.db2.gz FNFHVXOLXHOUGI-ZDUSSCGKSA-N 0 3 337.420 2.365 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000593459422 468989926 /nfs/dbraw/zinc/98/99/26/468989926.db2.gz PFYTWCJRXPGNRK-OAHLLOKOSA-N 0 3 335.379 2.363 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915154 469047961 /nfs/dbraw/zinc/04/79/61/469047961.db2.gz IXGNUWSHAYYTMD-PRHODGIISA-N 0 3 342.783 2.483 20 5 EEBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N(C)C ZINC000599045482 469098773 /nfs/dbraw/zinc/09/87/73/469098773.db2.gz HXRFPAYWICDQDQ-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN Cc1ncc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969767 469118556 /nfs/dbraw/zinc/11/85/56/469118556.db2.gz SVSIZSNDSKQNSD-JQWIXIFHSA-N 0 3 337.401 2.450 20 5 EEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878657 469333444 /nfs/dbraw/zinc/33/34/44/469333444.db2.gz FTUNTLGLNJKCDC-CHWSQXEVSA-N 0 3 333.388 2.057 20 5 EEBDHN CN(Cc1ccccc1)C(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602518306 469347697 /nfs/dbraw/zinc/34/76/97/469347697.db2.gz PHBGDIHOYDGBJB-UHFFFAOYSA-N 0 3 327.384 2.386 20 5 EEBDHN Cc1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596822946 469370763 /nfs/dbraw/zinc/37/07/63/469370763.db2.gz IPJGHCDSIWXSMD-HNNXBMFYSA-N 0 3 348.403 2.278 20 5 EEBDHN COc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000616178576 469391063 /nfs/dbraw/zinc/39/10/63/469391063.db2.gz XFVPCZZAHOKRBO-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN Cc1c(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000616240110 469404529 /nfs/dbraw/zinc/40/45/29/469404529.db2.gz FEPQHXIFRIBUSF-OAHLLOKOSA-N 0 3 332.404 2.187 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000603662392 469422327 /nfs/dbraw/zinc/42/23/27/469422327.db2.gz WYGZCOIFZLMVJA-GOSISDBHSA-N 0 3 349.431 2.160 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000619583317 469645313 /nfs/dbraw/zinc/64/53/13/469645313.db2.gz ISYYABOPHNZFAK-OAHLLOKOSA-N 0 3 347.415 2.273 20 5 EEBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](N2CCCC2)C1 ZINC000608905677 469885868 /nfs/dbraw/zinc/88/58/68/469885868.db2.gz HSILLEJRAJPDAC-CYBMUJFWSA-N 0 3 328.372 2.386 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610294257 470001026 /nfs/dbraw/zinc/00/10/26/470001026.db2.gz ANZOSVAJMRSCST-AWEZNQCLSA-N 0 3 334.420 2.022 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184171364 534334113 /nfs/dbraw/zinc/33/41/13/534334113.db2.gz GJLDGYFLRVYREM-UHFFFAOYSA-N 0 3 348.447 2.049 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265206609 536445138 /nfs/dbraw/zinc/44/51/38/536445138.db2.gz AEULZASTLWMHAU-LBPRGKRZSA-N 0 3 330.388 2.490 20 5 EEBDHN O=C(CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000772978470 577308635 /nfs/dbraw/zinc/30/86/35/577308635.db2.gz GQZPRIFHRXIYTO-UHFFFAOYSA-N 0 3 346.431 2.212 20 5 EEBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC(C)(C)C ZINC000765422597 577500704 /nfs/dbraw/zinc/50/07/04/577500704.db2.gz AIRSNHSILQGCIF-CYBMUJFWSA-N 0 3 348.447 2.456 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000736101953 578179889 /nfs/dbraw/zinc/17/98/89/578179889.db2.gz OBMQEENOADDYLS-LBPRGKRZSA-N 0 3 339.367 2.103 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001020402360 674638862 /nfs/dbraw/zinc/63/88/62/674638862.db2.gz DQYPLQQMBUKOPU-JOCQHMNTSA-N 0 3 332.335 2.113 20 5 EEBDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1C ZINC001021837741 676515885 /nfs/dbraw/zinc/51/58/85/676515885.db2.gz UAENWMRFQUXBPI-GASCZTMLSA-N 0 3 342.399 2.292 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001021957381 676562136 /nfs/dbraw/zinc/56/21/36/676562136.db2.gz QMZMNYWPXKRMAA-GASCZTMLSA-N 0 3 344.346 2.180 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001022153293 676706598 /nfs/dbraw/zinc/70/65/98/676706598.db2.gz BDKHJDWWTQWUEV-TXEJJXNPSA-N 0 3 332.385 2.102 20 5 EEBDHN Cc1noc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c1C ZINC001022255206 676768895 /nfs/dbraw/zinc/76/88/95/676768895.db2.gz XRNBAYUXGGKEBO-OKILXGFUSA-N 0 3 344.371 2.250 20 5 EEBDHN Cc1nc(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001134703128 1199760553 /nfs/dbraw/zinc/76/05/53/1199760553.db2.gz GYDZFWDZMHEHNA-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170682681 1200839774 /nfs/dbraw/zinc/83/97/74/1200839774.db2.gz QYINVPDEYKJEQX-NSHDSACASA-N 0 3 325.328 2.101 20 5 EEBDHN CC(COC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)[N+](=O)[O-] ZINC000813110945 1201121966 /nfs/dbraw/zinc/12/19/66/1201121966.db2.gz MQTOCYLFZGPLNU-LBPRGKRZSA-N 0 3 334.372 2.315 20 5 EEBDHN Cc1cc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)ccc1F ZINC000813114371 1201124600 /nfs/dbraw/zinc/12/46/00/1201124600.db2.gz AIUYMOMDKCREFO-SNVBAGLBSA-N 0 3 337.307 2.325 20 5 EEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)C(C)(C)C ZINC000866296661 1201487326 /nfs/dbraw/zinc/48/73/26/1201487326.db2.gz NPVKYXVCEUGMBD-NSHDSACASA-N 0 3 346.424 2.468 20 5 EEBDHN Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001019991277 1229432295 /nfs/dbraw/zinc/43/22/95/1229432295.db2.gz PQRZLMYJUSXGQP-WKILWMFISA-N 0 3 340.383 2.349 20 5 EEBDHN CCCN(CCNC(=O)CN(C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001101152286 1245455901 /nfs/dbraw/zinc/45/59/01/1245455901.db2.gz YGOYIEKULKMIMY-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CN(c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001068678737 1251511731 /nfs/dbraw/zinc/51/17/31/1251511731.db2.gz CBZONDWAAIBZAN-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN Nc1nc2cc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)ccc2[nH]1 ZINC001217662988 1297481412 /nfs/dbraw/zinc/48/14/12/1297481412.db2.gz AWKAZYFBEVNKBG-UHFFFAOYSA-N 0 3 341.262 2.304 20 5 EEBDHN CN1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449065 1301833201 /nfs/dbraw/zinc/83/32/01/1301833201.db2.gz KIRZKFKRLTYJNA-CQSZACIVSA-N 0 3 326.352 2.004 20 5 EEBDHN CN(CCCNC(=O)c1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC001234027545 1304692159 /nfs/dbraw/zinc/69/21/59/1304692159.db2.gz KOKNDHPWQMGQQX-UHFFFAOYSA-N 0 3 330.388 2.185 20 5 EEBDHN CC1(C)CN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001120023854 1309287170 /nfs/dbraw/zinc/28/71/70/1309287170.db2.gz DCGSGKKAHYIKOS-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN CN1CCN(CCCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC001161711239 1320597133 /nfs/dbraw/zinc/59/71/33/1320597133.db2.gz YMGYEAIMNBKBBU-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EEBDHN CC(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556934 1318120811 /nfs/dbraw/zinc/12/08/11/1318120811.db2.gz NLRXDNPGOQJBQK-UTXMOHQDSA-N 0 3 331.416 2.228 20 5 EEBDHN Nc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161131843 1320396339 /nfs/dbraw/zinc/39/63/39/1320396339.db2.gz PZJZCJOGGGWFCW-UHFFFAOYSA-N 0 3 343.387 2.354 20 5 EEBDHN Cc1cc(-n2ncc3c2CCNC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165220582 1321476597 /nfs/dbraw/zinc/47/65/97/1321476597.db2.gz SJDRWDWFCOPOIU-UHFFFAOYSA-N 0 3 336.355 2.192 20 5 EEBDHN CC/C=C(\C)C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001204663146 1322205154 /nfs/dbraw/zinc/20/51/54/1322205154.db2.gz SWCPBZJDSLSHOZ-WLRTZDKTSA-N 0 3 349.435 2.013 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887393 1336748639 /nfs/dbraw/zinc/74/86/39/1336748639.db2.gz FJSPOEZKEFSXLO-ZBEGNZNMSA-N 0 3 344.415 2.382 20 5 EEBDHN CC(COC(=O)c1ccccc1[S@](=O)C(F)(F)F)[N+](=O)[O-] ZINC001348534322 1337558177 /nfs/dbraw/zinc/55/81/77/1337558177.db2.gz UNWTVAMRFFMCPC-QFWYVNQISA-N 0 3 325.264 2.136 20 5 EEBDHN CCN(CCNC(=O)Cc1nc[nH]c1C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100577858 1338524538 /nfs/dbraw/zinc/52/45/38/1338524538.db2.gz VDRQYOQASRXBLZ-UHFFFAOYSA-N 0 3 345.403 2.120 20 5 EEBDHN Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723104 1351218338 /nfs/dbraw/zinc/21/83/38/1351218338.db2.gz ODRZJCJLRGDPHG-ZIAGYGMSSA-N 0 3 345.407 2.224 20 5 EEBDHN Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723104 1351218339 /nfs/dbraw/zinc/21/83/39/1351218339.db2.gz ODRZJCJLRGDPHG-ZIAGYGMSSA-N 0 3 345.407 2.224 20 5 EEBDHN CC(C)CN1CCO[C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553447 1368032727 /nfs/dbraw/zinc/03/27/27/1368032727.db2.gz ANMOQTWQGVMGNK-DZGCQCFKSA-N 0 3 336.436 2.184 20 5 EEBDHN CN(C)C1(C(=O)N(C)CCCN(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001112132676 1371355852 /nfs/dbraw/zinc/35/58/52/1371355852.db2.gz TXJOBWWDICKJRM-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1nccc(C)c1[N+](=O)[O-] ZINC001107391508 787104963 /nfs/dbraw/zinc/10/49/63/787104963.db2.gz JPPDQONNUCPYKF-FPLPWBNLSA-N 0 3 349.435 2.113 20 5 EEBDHN CCCCCCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149025322 792856532 /nfs/dbraw/zinc/85/65/32/792856532.db2.gz BAQXHFMOUNNDPU-UHFFFAOYSA-N 0 3 337.420 2.398 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001093185522 794793170 /nfs/dbraw/zinc/79/31/70/794793170.db2.gz ZZKBEKNJVUVFLY-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN CC(=O)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C ZINC001172922206 797152734 /nfs/dbraw/zinc/15/27/34/797152734.db2.gz XHOGJYFTCNGBDM-DYVFJYSZSA-N 0 3 331.416 2.395 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ncc3c2CCNC3)c1F ZINC001173180696 797278942 /nfs/dbraw/zinc/27/89/42/797278942.db2.gz LZLHVYGZASAFOX-SNVBAGLBSA-N 0 3 334.351 2.388 20 5 EEBDHN CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC001106873833 797632220 /nfs/dbraw/zinc/63/22/20/797632220.db2.gz DSUUZHAOYKQAPU-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1noc(C)c1CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175875306 798275662 /nfs/dbraw/zinc/27/56/62/798275662.db2.gz ASPYHPSBCXOZQL-UHFFFAOYSA-N 0 3 346.387 2.038 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177214282 798796090 /nfs/dbraw/zinc/79/60/90/798796090.db2.gz CGTDFJCWOFLAPP-NOAKMGFQSA-N 0 3 343.427 2.483 20 5 EEBDHN CN(C)C1(C(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001110253076 801053371 /nfs/dbraw/zinc/05/33/71/801053371.db2.gz IGIQEZQTTKSRLV-UHFFFAOYSA-N 0 3 332.404 2.140 20 5 EEBDHN O=C1COc2ccccc2CN1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000922462725 801114450 /nfs/dbraw/zinc/11/44/50/801114450.db2.gz NOWWPKBHIPWBTI-UHFFFAOYSA-N 0 3 341.367 2.106 20 5 EEBDHN CS(=O)(=O)c1ccccc1CCNCc1ccccc1[N+](=O)[O-] ZINC000922677752 801658276 /nfs/dbraw/zinc/65/82/76/801658276.db2.gz SZBHSQGUHWHAQH-UHFFFAOYSA-N 0 3 334.397 2.331 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1nccc2occc21 ZINC001131607610 813019485 /nfs/dbraw/zinc/01/94/85/813019485.db2.gz NNIITYUWGMKBSU-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN CCOC(=O)[C@@H]1C[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515770096 1118984304 /nfs/dbraw/zinc/98/43/04/1118984304.db2.gz XSQUAELCIQJNJG-RSXIPKFTSA-N 0 3 339.319 2.274 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@]2(C)CCCCN2)c([N+](=O)[O-])c1 ZINC000180964966 234047090 /nfs/dbraw/zinc/04/70/90/234047090.db2.gz LIEWDQCXYKCRCU-KRWDZBQOSA-N 0 3 334.420 2.354 20 5 EEBDHN COc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266174585 201218441 /nfs/dbraw/zinc/21/84/41/201218441.db2.gz SIBHSAFOMINWFC-INIZCTEOSA-N 0 3 336.436 2.287 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236768279 242351966 /nfs/dbraw/zinc/35/19/66/242351966.db2.gz YYNZLGJXRGSJJY-OAHLLOKOSA-N 0 3 345.403 2.039 20 5 EEBDHN C[C@H]1C[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447813710 242319119 /nfs/dbraw/zinc/31/91/19/242319119.db2.gz XELNHXFREZRNCO-GOEBONIOSA-N 0 3 348.447 2.322 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000448182324 242376486 /nfs/dbraw/zinc/37/64/86/242376486.db2.gz SGWAIGGSBIHXHT-SWLSCSKDSA-N 0 3 341.433 2.089 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500167 243136760 /nfs/dbraw/zinc/13/67/60/243136760.db2.gz MVZORSDXGGMEEX-XFBWCDHKSA-N 0 3 335.404 2.491 20 5 EEBDHN COc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069857406 203058442 /nfs/dbraw/zinc/05/84/42/203058442.db2.gz FBDCIVSMBVRCME-MRXNPFEDSA-N 0 3 349.431 2.148 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455648209 244049080 /nfs/dbraw/zinc/04/90/80/244049080.db2.gz NHHMUOXDOYATMI-GFCCVEGCSA-N 0 3 335.408 2.026 20 5 EEBDHN CC1(C)Cc2ccsc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459587240 245179121 /nfs/dbraw/zinc/17/91/21/245179121.db2.gz UZODBUVUUMWRDE-CYBMUJFWSA-N 0 3 336.417 2.051 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000109426647 204284239 /nfs/dbraw/zinc/28/42/39/204284239.db2.gz IERDHDBPBNPVDQ-UHFFFAOYSA-N 0 3 345.403 2.262 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000110992710 204330180 /nfs/dbraw/zinc/33/01/80/204330180.db2.gz CHQDLLCUZRNXQV-GFCCVEGCSA-N 0 3 339.367 2.103 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157089347 206116692 /nfs/dbraw/zinc/11/66/92/206116692.db2.gz VMKWKYVBTJSBQX-CABCVRRESA-N 0 3 347.415 2.306 20 5 EEBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000265297451 247380916 /nfs/dbraw/zinc/38/09/16/247380916.db2.gz NWFHJYNGHMGMJY-UHFFFAOYSA-N 0 3 344.371 2.015 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177315443 207320854 /nfs/dbraw/zinc/32/08/54/207320854.db2.gz LZQQUMOWGLAUEI-WBVHZDCISA-N 0 3 346.431 2.116 20 5 EEBDHN Cc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000270490192 256140832 /nfs/dbraw/zinc/14/08/32/256140832.db2.gz RFHMDOIOBGIUBX-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN CS[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270495589 256141361 /nfs/dbraw/zinc/14/13/61/256141361.db2.gz OYHVGDGMSNXEAS-MATWNZDUSA-N 0 3 335.429 2.112 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273096901 256264704 /nfs/dbraw/zinc/26/47/04/256264704.db2.gz UUBOUAOSPIPOPW-IRXDYDNUSA-N 0 3 333.388 2.389 20 5 EEBDHN CC(C)OCCOC[C@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265311 256368958 /nfs/dbraw/zinc/36/89/58/256368958.db2.gz YIYFMBCPMTYPIS-RHSMWYFYSA-N 0 3 340.420 2.390 20 5 EEBDHN CNC(=O)c1ccc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065534396 292155397 /nfs/dbraw/zinc/15/53/97/292155397.db2.gz QAZUVOFGAYBGPK-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000075777477 159076951 /nfs/dbraw/zinc/07/69/51/159076951.db2.gz VTKPOTWVUVBUKR-IBGZPJMESA-N 0 3 341.411 2.104 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000081997274 159159488 /nfs/dbraw/zinc/15/94/88/159159488.db2.gz KHHCBFVWRPYPQG-UHFFFAOYSA-N 0 3 349.431 2.143 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC[C@H]1C ZINC000342850816 161095704 /nfs/dbraw/zinc/09/57/04/161095704.db2.gz CBAUJZLYYJOQPV-GHMZBOCLSA-N 0 3 338.383 2.309 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000343063294 161099425 /nfs/dbraw/zinc/09/94/25/161099425.db2.gz WYTQRODPDNMYNQ-UHFFFAOYSA-N 0 3 344.371 2.111 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCN1C ZINC000343803974 161169857 /nfs/dbraw/zinc/16/98/57/161169857.db2.gz WEHNNHIPRBFLNO-XPTSAGLGSA-N 0 3 327.331 2.014 20 5 EEBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000344359083 161219988 /nfs/dbraw/zinc/21/99/88/161219988.db2.gz XLYHLMFAUNPEHZ-ZIAGYGMSSA-N 0 3 334.420 2.386 20 5 EEBDHN CCCN(CCN(C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000344896183 161254525 /nfs/dbraw/zinc/25/45/25/161254525.db2.gz VQDWYFNTCOREAD-UHFFFAOYSA-N 0 3 332.404 2.350 20 5 EEBDHN Cn1cnc(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000344920375 161256207 /nfs/dbraw/zinc/25/62/07/161256207.db2.gz PLWWRGMIFCKVCM-UHFFFAOYSA-N 0 3 327.344 2.316 20 5 EEBDHN C[C@@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000352584477 162199694 /nfs/dbraw/zinc/19/96/94/162199694.db2.gz UEUJDFQLOPSAGL-LLVKDONJSA-N 0 3 331.376 2.177 20 5 EEBDHN CC1=CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000355342439 163152986 /nfs/dbraw/zinc/15/29/86/163152986.db2.gz XJXKZJRMEQEMRC-UHFFFAOYSA-N 0 3 332.404 2.165 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000274835042 269060679 /nfs/dbraw/zinc/06/06/79/269060679.db2.gz SDDZTXBMSZAVND-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000282882612 269520359 /nfs/dbraw/zinc/52/03/59/269520359.db2.gz RHIMRILIVIKAIR-IUODEOHRSA-N 0 3 335.404 2.452 20 5 EEBDHN COc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285709342 274779094 /nfs/dbraw/zinc/77/90/94/274779094.db2.gz HWCBGFAVEPYLEB-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582889 275072509 /nfs/dbraw/zinc/07/25/09/275072509.db2.gz XOWRMMNVTBARAK-AAEUAGOBSA-N 0 3 343.387 2.170 20 5 EEBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289500528 275122163 /nfs/dbraw/zinc/12/21/63/275122163.db2.gz KUIYTCQNUXLIDZ-AWEZNQCLSA-N 0 3 341.795 2.327 20 5 EEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCN(C)CC1 ZINC000291359673 275297943 /nfs/dbraw/zinc/29/79/43/275297943.db2.gz BFPRWYPFBIVYDY-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519115 276087289 /nfs/dbraw/zinc/08/72/89/276087289.db2.gz QCOQFBWCFSYXRK-JEYLPNPQSA-N 0 3 349.431 2.443 20 5 EEBDHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519115 276087291 /nfs/dbraw/zinc/08/72/91/276087291.db2.gz QCOQFBWCFSYXRK-JEYLPNPQSA-N 0 3 349.431 2.443 20 5 EEBDHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519115 276087293 /nfs/dbraw/zinc/08/72/93/276087293.db2.gz QCOQFBWCFSYXRK-JEYLPNPQSA-N 0 3 349.431 2.443 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194737523 277064212 /nfs/dbraw/zinc/06/42/12/277064212.db2.gz ISDSMXNZEMPYGT-CQSZACIVSA-N 0 3 332.404 2.019 20 5 EEBDHN COC(=O)Cc1ccc(N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000296668106 294035549 /nfs/dbraw/zinc/03/55/49/294035549.db2.gz ZCKGPASCPHPIPH-UHFFFAOYSA-N 0 3 335.404 2.088 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000332511031 312017621 /nfs/dbraw/zinc/01/76/21/312017621.db2.gz UWBOGXDQGVIJTL-HUUCEWRRSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686256 312045277 /nfs/dbraw/zinc/04/52/77/312045277.db2.gz VOCHQIXXOTWESR-QWRGUYRKSA-N 0 3 339.342 2.111 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2CCN[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000417719810 313575932 /nfs/dbraw/zinc/57/59/32/313575932.db2.gz QPEXUPVJPVDEJW-ZIAGYGMSSA-N 0 3 349.435 2.097 20 5 EEBDHN CN1C[C@@H]2CCCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000425290742 314373779 /nfs/dbraw/zinc/37/37/79/314373779.db2.gz XXOKKRHSELAQNY-GXTWGEPZSA-N 0 3 329.360 2.175 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434704762 314859468 /nfs/dbraw/zinc/85/94/68/314859468.db2.gz ZHDIUWMSSOSAPS-VWYCJHECSA-N 0 3 341.795 2.224 20 5 EEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444270109 315286579 /nfs/dbraw/zinc/28/65/79/315286579.db2.gz YMHUHDLJGGCADR-UHFFFAOYSA-N 0 3 337.424 2.217 20 5 EEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444270109 315286581 /nfs/dbraw/zinc/28/65/81/315286581.db2.gz YMHUHDLJGGCADR-UHFFFAOYSA-N 0 3 337.424 2.217 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000525804116 317078529 /nfs/dbraw/zinc/07/85/29/317078529.db2.gz JBVDDFIJWLUKFT-CYBMUJFWSA-N 0 3 330.388 2.008 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@H](COC)C(C)C)c([N+](=O)[O-])c1 ZINC000541595212 318103336 /nfs/dbraw/zinc/10/33/36/318103336.db2.gz MZRHHJPOTDGFAW-CQSZACIVSA-N 0 3 339.392 2.193 20 5 EEBDHN CCOc1ccc([C@H](C)NCCn2cnnc2CC)cc1[N+](=O)[O-] ZINC000545972045 318236836 /nfs/dbraw/zinc/23/68/36/318236836.db2.gz KEWOYPXIDYUZTO-LBPRGKRZSA-N 0 3 333.392 2.498 20 5 EEBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688594 319778177 /nfs/dbraw/zinc/77/81/77/319778177.db2.gz XESSEBNXMFPXPG-RISCZKNCSA-N 0 3 339.392 2.191 20 5 EEBDHN CN(C(=O)CN[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000576185253 320148661 /nfs/dbraw/zinc/14/86/61/320148661.db2.gz NEASTGCALDAQIT-INIZCTEOSA-N 0 3 335.404 2.088 20 5 EEBDHN CNc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581684661 324302900 /nfs/dbraw/zinc/30/29/00/324302900.db2.gz XGBTTYXPOYHYQK-HEHGZKQESA-N 0 3 346.431 2.439 20 5 EEBDHN CCO[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247638 465128928 /nfs/dbraw/zinc/12/89/28/465128928.db2.gz NRQHPHCRBNPLAP-GJZGRUSLSA-N 0 3 333.388 2.131 20 5 EEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354757022 465134961 /nfs/dbraw/zinc/13/49/61/465134961.db2.gz OVZDESBPDZVPED-HNNXBMFYSA-N 0 3 345.403 2.204 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC000341528877 465216994 /nfs/dbraw/zinc/21/69/94/465216994.db2.gz GENYISKFJOBZSR-NEPJUHHUSA-N 0 3 336.392 2.451 20 5 EEBDHN COc1ccc(C2(NCCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000341681730 465253154 /nfs/dbraw/zinc/25/31/54/465253154.db2.gz HMLNUMVUTFFQPZ-UHFFFAOYSA-N 0 3 329.356 2.044 20 5 EEBDHN CC[C@@H](C)N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590661469 468298580 /nfs/dbraw/zinc/29/85/80/468298580.db2.gz UMVRUCFQYOPKOD-CYBMUJFWSA-N 0 3 335.404 2.282 20 5 EEBDHN Cc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000351879660 465413822 /nfs/dbraw/zinc/41/38/22/465413822.db2.gz AXLYYWVIBOZVIE-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN COC(=O)Cc1ccc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000590689597 468306707 /nfs/dbraw/zinc/30/67/07/468306707.db2.gz CBHDFUBPUQJRAJ-AWEZNQCLSA-N 0 3 333.388 2.207 20 5 EEBDHN O=C(NCCN1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047139861 462746784 /nfs/dbraw/zinc/74/67/84/462746784.db2.gz CRQYPWUPNGTHNU-UHFFFAOYSA-N 0 3 346.431 2.411 20 5 EEBDHN C[C@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008269885 462775961 /nfs/dbraw/zinc/77/59/61/462775961.db2.gz FWCKMAHZFQNHPP-QWHCGFSZSA-N 0 3 341.433 2.041 20 5 EEBDHN CN(C)CCN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155133017 462852408 /nfs/dbraw/zinc/85/24/08/462852408.db2.gz RQUSIIMCTNLSTH-UHFFFAOYSA-N 0 3 345.197 2.383 20 5 EEBDHN COc1cc(CNCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000067697277 463038507 /nfs/dbraw/zinc/03/85/07/463038507.db2.gz LBDCODXIBYABOA-UHFFFAOYSA-N 0 3 338.282 2.017 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000067806721 463053276 /nfs/dbraw/zinc/05/32/76/463053276.db2.gz XDBBIMOHHFUBLB-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000077966135 463075269 /nfs/dbraw/zinc/07/52/69/463075269.db2.gz NFOOILSWZDOCOB-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000078494572 463122658 /nfs/dbraw/zinc/12/26/58/463122658.db2.gz JYFKXRKOGNTMLD-GOSISDBHSA-N 0 3 327.384 2.426 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@H]1C ZINC000351891656 465421728 /nfs/dbraw/zinc/42/17/28/465421728.db2.gz YHXUCSXJSCSBHT-VXGBXAGGSA-N 0 3 349.387 2.316 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCN(c3ccncc3)CC2)c1 ZINC000125296492 463527707 /nfs/dbraw/zinc/52/77/07/463527707.db2.gz FNPPYWLSBYAOKG-UHFFFAOYSA-N 0 3 328.372 2.191 20 5 EEBDHN Cc1nc([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268412732 463734543 /nfs/dbraw/zinc/73/45/43/463734543.db2.gz AZYOKPSYTDEMDI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268412732 463734549 /nfs/dbraw/zinc/73/45/49/463734549.db2.gz AZYOKPSYTDEMDI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268412732 463734555 /nfs/dbraw/zinc/73/45/55/463734555.db2.gz AZYOKPSYTDEMDI-ZDUSSCGKSA-N 0 3 331.376 2.280 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000261669236 463822521 /nfs/dbraw/zinc/82/25/21/463822521.db2.gz LNKCOFWBWXSICC-KRWDZBQOSA-N 0 3 325.368 2.141 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)cc1SC ZINC000171479978 463871580 /nfs/dbraw/zinc/87/15/80/463871580.db2.gz YGSOGDHUUYEVDN-SNVBAGLBSA-N 0 3 339.417 2.149 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440173 463986059 /nfs/dbraw/zinc/98/60/59/463986059.db2.gz PFQMXVCEWUKRRQ-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440173 463986064 /nfs/dbraw/zinc/98/60/64/463986064.db2.gz PFQMXVCEWUKRRQ-GFCCVEGCSA-N 0 3 335.408 2.142 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000278954044 464014751 /nfs/dbraw/zinc/01/47/51/464014751.db2.gz ZCNSBYDKHPYWDG-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN Cn1cc([C@@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126099 464040115 /nfs/dbraw/zinc/04/01/15/464040115.db2.gz QQAZKPGKPQXYNE-CVEARBPZSA-N 0 3 330.388 2.374 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284245911 464123541 /nfs/dbraw/zinc/12/35/41/464123541.db2.gz CKMATQGDHXOXNE-JTQLQIEISA-N 0 3 338.383 2.118 20 5 EEBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292776297 464338623 /nfs/dbraw/zinc/33/86/23/464338623.db2.gz VZTBCWWMMJCFHX-SECBINFHSA-N 0 3 349.840 2.033 20 5 EEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1 ZINC000237646804 464358390 /nfs/dbraw/zinc/35/83/90/464358390.db2.gz UJHOGZVNTGVJJD-IUCAKERBSA-N 0 3 342.193 2.180 20 5 EEBDHN COc1cc(C(=O)NCCN2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000294416138 464493636 /nfs/dbraw/zinc/49/36/36/464493636.db2.gz PMDMBNFGIYXNCW-UHFFFAOYSA-N 0 3 339.367 2.348 20 5 EEBDHN CN1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000272190809 464511881 /nfs/dbraw/zinc/51/18/81/464511881.db2.gz MIXYRZCDGHENOO-BZNIZROVSA-N 0 3 330.388 2.010 20 5 EEBDHN CN1CC[C@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208101 464518710 /nfs/dbraw/zinc/51/87/10/464518710.db2.gz PTRNUODGJDRUNL-YVEFUNNKSA-N 0 3 344.415 2.017 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294806205 464610980 /nfs/dbraw/zinc/61/09/80/464610980.db2.gz FLVYEBZNWVITOG-AWEZNQCLSA-N 0 3 347.415 2.358 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000285569896 464613481 /nfs/dbraw/zinc/61/34/81/464613481.db2.gz SIXTYYRYIZPQJU-HNNXBMFYSA-N 0 3 332.404 2.365 20 5 EEBDHN C[C@H]1CSCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000190397260 464635778 /nfs/dbraw/zinc/63/57/78/464635778.db2.gz LTZCIUQGVYCFRP-OLZOCXBDSA-N 0 3 326.418 2.019 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182643043 464700701 /nfs/dbraw/zinc/70/07/01/464700701.db2.gz RFRQABWOUPOGFI-GFCCVEGCSA-N 0 3 345.403 2.131 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCC[C@H](C)C2)n1 ZINC000285974107 464760808 /nfs/dbraw/zinc/76/08/08/464760808.db2.gz BLEODSCHDBZDCO-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985638 468428918 /nfs/dbraw/zinc/42/89/18/468428918.db2.gz IFANOYWGVUUUPY-UHFFFAOYSA-N 0 3 335.404 2.468 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000347935198 465318724 /nfs/dbraw/zinc/31/87/24/465318724.db2.gz ZVJDSFGTFNZRTH-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN CC[C@@H](CO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000342639709 465335393 /nfs/dbraw/zinc/33/53/93/465335393.db2.gz OKHZRLIQFKNQGD-INIZCTEOSA-N 0 3 345.399 2.030 20 5 EEBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358815165 465337837 /nfs/dbraw/zinc/33/78/37/465337837.db2.gz VSUSKXVMECYSTJ-GFCCVEGCSA-N 0 3 329.784 2.183 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000344538806 465654700 /nfs/dbraw/zinc/65/47/00/465654700.db2.gz YBSQDVVDSNLKCW-CYBMUJFWSA-N 0 3 333.388 2.025 20 5 EEBDHN Cc1c(CNC(=O)Nc2cnc3c(c2)CNCC3)cccc1[N+](=O)[O-] ZINC000591311057 468445084 /nfs/dbraw/zinc/44/50/84/468445084.db2.gz KMVBCIRWIBLRIW-UHFFFAOYSA-N 0 3 341.371 2.266 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356980240 465675502 /nfs/dbraw/zinc/67/55/02/465675502.db2.gz OTWVWEMDIPWESO-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc2c(c1)CNCC2 ZINC000361049894 465730077 /nfs/dbraw/zinc/73/00/77/465730077.db2.gz SSXRFIYIUFPEDO-UHFFFAOYSA-N 0 3 346.774 2.470 20 5 EEBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011020 468450460 /nfs/dbraw/zinc/45/04/60/468450460.db2.gz UDAXVAUZEBONKP-NVXWUHKLSA-N 0 3 331.372 2.470 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000366813373 465948790 /nfs/dbraw/zinc/94/87/90/465948790.db2.gz VDDBLOVRBSIHJL-OAHLLOKOSA-N 0 3 347.415 2.369 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230212 466011160 /nfs/dbraw/zinc/01/11/60/466011160.db2.gz MEUSEROJOBDWHB-OGHNNQOOSA-N 0 3 349.406 2.465 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000349200159 466017454 /nfs/dbraw/zinc/01/74/54/466017454.db2.gz GVEZXZFGGONAMT-KBPBESRZSA-N 0 3 337.420 2.365 20 5 EEBDHN CCCN1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301898684 466057042 /nfs/dbraw/zinc/05/70/42/466057042.db2.gz SKHHDPVLAIZKSD-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN CCN(CCN1CCCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000346340294 466086665 /nfs/dbraw/zinc/08/66/65/466086665.db2.gz BTLQOFSGRVJSDS-UHFFFAOYSA-N 0 3 337.424 2.149 20 5 EEBDHN Cc1ccccc1CN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363045755 466192706 /nfs/dbraw/zinc/19/27/06/466192706.db2.gz NKGBNXFAZKUMMH-UHFFFAOYSA-N 0 3 343.431 2.308 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358150397 466496100 /nfs/dbraw/zinc/49/61/00/466496100.db2.gz MZYWVOXEIJOWDJ-NWDGAFQWSA-N 0 3 336.392 2.451 20 5 EEBDHN CCOc1cc(CN2CCC(c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000372812141 466599862 /nfs/dbraw/zinc/59/98/62/466599862.db2.gz OSBZZGYSPTZXOT-UHFFFAOYSA-N 0 3 331.376 2.491 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000374796344 466746189 /nfs/dbraw/zinc/74/61/89/466746189.db2.gz UXNKYPNARQWONI-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN NC(=O)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411966482 466950293 /nfs/dbraw/zinc/95/02/93/466950293.db2.gz BUSSLWCXHDCXSA-UONOGXRCSA-N 0 3 343.358 2.435 20 5 EEBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1 ZINC000365824619 466952222 /nfs/dbraw/zinc/95/22/22/466952222.db2.gz ZDEYHKNGFBWUPV-UHFFFAOYSA-N 0 3 343.387 2.457 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424034454 466958678 /nfs/dbraw/zinc/95/86/78/466958678.db2.gz CBNVFHJPFUCMCJ-DOTOQJQBSA-N 0 3 343.358 2.230 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(CCN(C)C)C(C)C)c1F ZINC000412207456 467037886 /nfs/dbraw/zinc/03/78/86/467037886.db2.gz VFKPHDJAXFSHQL-UHFFFAOYSA-N 0 3 341.383 2.084 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000378170219 467218446 /nfs/dbraw/zinc/21/84/46/467218446.db2.gz LQVSHKQWNNCFOL-GDBMZVCRSA-N 0 3 339.823 2.279 20 5 EEBDHN O=[N+]([O-])c1cccc2c(N3CCN(C4CCOCC4)CC3)ccnc21 ZINC000432329324 467231336 /nfs/dbraw/zinc/23/13/36/467231336.db2.gz ZQVSLKNHBCMHQV-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000449233557 467625143 /nfs/dbraw/zinc/62/51/43/467625143.db2.gz MDSZNZKPZIFEFF-GXTWGEPZSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C2CC2)n1 ZINC000449405360 467640149 /nfs/dbraw/zinc/64/01/49/467640149.db2.gz KCSYJLDFGYYLDE-SNVBAGLBSA-N 0 3 344.375 2.097 20 5 EEBDHN CNc1nc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000456026427 467704246 /nfs/dbraw/zinc/70/42/46/467704246.db2.gz DZFZMTBUNCTZHZ-ZDUSSCGKSA-N 0 3 349.435 2.272 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457208756 467777235 /nfs/dbraw/zinc/77/72/35/467777235.db2.gz OFJICCGHHXWDOH-UHFFFAOYSA-N 0 3 344.209 2.427 20 5 EEBDHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1CC(C)(C)O ZINC000450474929 467855994 /nfs/dbraw/zinc/85/59/94/467855994.db2.gz UDGPNYSCWTXMPT-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN CN1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000515125302 467974319 /nfs/dbraw/zinc/97/43/19/467974319.db2.gz ZPSHJNUHUFAPRN-CYBMUJFWSA-N 0 3 333.388 2.016 20 5 EEBDHN CC(C)(O)CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000531177483 468033952 /nfs/dbraw/zinc/03/39/52/468033952.db2.gz YOAGCLICZOYPLA-UHFFFAOYSA-N 0 3 326.368 2.486 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494204376 468036986 /nfs/dbraw/zinc/03/69/86/468036986.db2.gz JDKCRBGFWMHULT-ZBEGNZNMSA-N 0 3 337.376 2.089 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000550367688 468215464 /nfs/dbraw/zinc/21/54/64/468215464.db2.gz RTMBEUZGVBFAIC-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000551039172 468231008 /nfs/dbraw/zinc/23/10/08/468231008.db2.gz AGTRSHIPGSNXHQ-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(-c3ccccc3)o2)c1 ZINC000578830662 468261363 /nfs/dbraw/zinc/26/13/63/468261363.db2.gz WSJJORNYNNPUCI-OAHLLOKOSA-N 0 3 342.355 2.202 20 5 EEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591749453 468514393 /nfs/dbraw/zinc/51/43/93/468514393.db2.gz QNIOGTMSJBGMPW-ZDUSSCGKSA-N 0 3 349.412 2.157 20 5 EEBDHN C[C@@H]1C[C@H](C)CN(CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000569988454 468573983 /nfs/dbraw/zinc/57/39/83/468573983.db2.gz LAPVTNWLHJJNFE-BETUJISGSA-N 0 3 346.387 2.389 20 5 EEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522783 468615181 /nfs/dbraw/zinc/61/51/81/468615181.db2.gz SVTKNQWDQZBVBT-WCQYABFASA-N 0 3 345.403 2.330 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCSCC1 ZINC000595019019 468743557 /nfs/dbraw/zinc/74/35/57/468743557.db2.gz PKJABMAMQGKLQY-LBPRGKRZSA-N 0 3 325.434 2.303 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ccccc1 ZINC000560276831 468777219 /nfs/dbraw/zinc/77/72/19/468777219.db2.gz JATKWSRFAGAGFK-CQSZACIVSA-N 0 3 332.356 2.003 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593080179 468862782 /nfs/dbraw/zinc/86/27/82/468862782.db2.gz JDRWNJVTFKXVOX-CABCVRRESA-N 0 3 335.379 2.362 20 5 EEBDHN C[C@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000602689791 469013353 /nfs/dbraw/zinc/01/33/53/469013353.db2.gz ZBGPNEHWDSBITA-CYBMUJFWSA-N 0 3 331.294 2.372 20 5 EEBDHN C[C@@H]1C[C@H](C)CN(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000572900512 469017737 /nfs/dbraw/zinc/01/77/37/469017737.db2.gz HLFUXAGLRFWRRZ-BETUJISGSA-N 0 3 346.387 2.389 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000602767903 469061132 /nfs/dbraw/zinc/06/11/32/469061132.db2.gz LEQOISAJLGXNLK-HZPDHXFCSA-N 0 3 341.415 2.168 20 5 EEBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCCN1CC(F)(F)F ZINC000610946219 469118336 /nfs/dbraw/zinc/11/83/36/469118336.db2.gz UMZBVXKLXICGDZ-ZDUSSCGKSA-N 0 3 345.321 2.280 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000611268470 469214272 /nfs/dbraw/zinc/21/42/72/469214272.db2.gz UBXHQAKWPRUSCZ-UUNORDMYSA-N 0 3 331.416 2.139 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@]2(CC)CCOC2)c([N+](=O)[O-])c1 ZINC000616866053 469526268 /nfs/dbraw/zinc/52/62/68/469526268.db2.gz JWCIKYDALRMZCK-INIZCTEOSA-N 0 3 337.376 2.091 20 5 EEBDHN COc1cc(OC[C@@H](O)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000619506718 469628480 /nfs/dbraw/zinc/62/84/80/469628480.db2.gz YEIYRXWSOWWXKH-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN CC(C)C[C@]1(CO)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191660612 528623110 /nfs/dbraw/zinc/62/31/10/528623110.db2.gz JBYWTKXFSMUPQJ-SFHVURJKSA-N 0 3 349.431 2.431 20 5 EEBDHN CC(=O)Nc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678019 577116128 /nfs/dbraw/zinc/11/61/28/577116128.db2.gz FENCNFXNSOUKCE-KRWDZBQOSA-N 0 3 329.356 2.376 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000894445541 682898093 /nfs/dbraw/zinc/89/80/93/682898093.db2.gz OUKPHWGKWUSXSN-GXTWGEPZSA-N 0 3 335.404 2.368 20 5 EEBDHN C[C@]1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN2CCC1CC2 ZINC000892780270 683035172 /nfs/dbraw/zinc/03/51/72/683035172.db2.gz RGOGSTOECVQAJT-SFHVURJKSA-N 0 3 342.399 2.219 20 5 EEBDHN Cc1ccc(N(C)CCN(C)C(=O)CN(C)C2CCC2)c([N+](=O)[O-])c1 ZINC001105588935 1188202512 /nfs/dbraw/zinc/20/25/12/1188202512.db2.gz CFQMTIWWLCJAAP-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN COc1cc2cc(C(=O)OCC(C)[N+](=O)[O-])[nH]c2c(OC)c1OC ZINC000813111132 1201123388 /nfs/dbraw/zinc/12/33/88/1201123388.db2.gz OGVFIKZZPUNRCB-MRVPVSSYSA-N 0 3 338.316 2.016 20 5 EEBDHN CN1CCN(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213571 1201467561 /nfs/dbraw/zinc/46/75/61/1201467561.db2.gz SSEHSFWBIQDWCH-UHFFFAOYSA-N 0 3 338.839 2.464 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095423561 1205734194 /nfs/dbraw/zinc/73/41/94/1205734194.db2.gz BRBLYRYBNZPSKQ-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN COc1ccc(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000930768500 1206581452 /nfs/dbraw/zinc/58/14/52/1206581452.db2.gz HXIYEWMQVPDHAG-ZWNOBZJWSA-N 0 3 334.376 2.208 20 5 EEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778261754 1208005811 /nfs/dbraw/zinc/00/58/11/1208005811.db2.gz PLEYEOZJYMBQNJ-CYBMUJFWSA-N 0 3 339.342 2.287 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097203799 1243819671 /nfs/dbraw/zinc/81/96/71/1243819671.db2.gz XFONENQDPAQYCV-OKILXGFUSA-N 0 3 334.420 2.304 20 5 EEBDHN CCN1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227453639 1301835523 /nfs/dbraw/zinc/83/55/23/1301835523.db2.gz VVUJANUZOYEJRX-OAHLLOKOSA-N 0 3 340.379 2.394 20 5 EEBDHN CCc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001234205099 1304796932 /nfs/dbraw/zinc/79/69/32/1304796932.db2.gz LLKYDRSQNVMXAY-UHFFFAOYSA-N 0 3 345.403 2.132 20 5 EEBDHN Cc1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001123453906 1310577141 /nfs/dbraw/zinc/57/71/41/1310577141.db2.gz RDJZTZSBFTVTEH-HNNXBMFYSA-N 0 3 348.403 2.278 20 5 EEBDHN C[C@H]1NCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000843474302 1315920177 /nfs/dbraw/zinc/92/01/77/1315920177.db2.gz WWVIWKOOUMYNHE-RKDXNWHRSA-N 0 3 329.759 2.139 20 5 EEBDHN O=C1CCC[C@@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594576 1318136721 /nfs/dbraw/zinc/13/67/21/1318136721.db2.gz GEMHRGRNYAHOEP-AEFFLSMTSA-N 0 3 329.400 2.197 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnc(C2CC2)o1 ZINC001160167130 1320088856 /nfs/dbraw/zinc/08/88/56/1320088856.db2.gz REMNQCQKLBLFFX-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CC/C=C(\C)C(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163676738 1321190052 /nfs/dbraw/zinc/19/00/52/1321190052.db2.gz IYGOVMOIEAKGDZ-WLRTZDKTSA-N 0 3 349.435 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1-c1ccccc1 ZINC001165275349 1321489907 /nfs/dbraw/zinc/48/99/07/1321489907.db2.gz MRKYAWKQMGUBHE-HOCLYGCPSA-N 0 3 340.383 2.224 20 5 EEBDHN NC(=O)[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001308433407 1331591026 /nfs/dbraw/zinc/59/10/26/1331591026.db2.gz LWBUPYXYSNYDEC-CMPLNLGQSA-N 0 3 346.412 2.462 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609145243 1351860309 /nfs/dbraw/zinc/86/03/09/1351860309.db2.gz GVPFOMFXKPLLNO-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609145243 1351860313 /nfs/dbraw/zinc/86/03/13/1351860313.db2.gz GVPFOMFXKPLLNO-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609145243 1351860320 /nfs/dbraw/zinc/86/03/20/1351860320.db2.gz GVPFOMFXKPLLNO-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CC1(C)CCC[N@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609145243 1351860322 /nfs/dbraw/zinc/86/03/22/1351860322.db2.gz GVPFOMFXKPLLNO-UHFFFAOYSA-N 0 3 331.380 2.061 20 5 EEBDHN CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609213008 1351895228 /nfs/dbraw/zinc/89/52/28/1351895228.db2.gz BBGUAWHYXVDNMM-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609213008 1351895231 /nfs/dbraw/zinc/89/52/31/1351895231.db2.gz BBGUAWHYXVDNMM-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN Cc1cccnc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915745 1336447823 /nfs/dbraw/zinc/44/78/23/1336447823.db2.gz BBJABTHOERPGDA-HIFRSBDPSA-N 0 3 331.372 2.389 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](F)C2)cc1 ZINC001336841705 1336603629 /nfs/dbraw/zinc/60/36/29/1336603629.db2.gz XZQLHAZZKKBDIS-NWDGAFQWSA-N 0 3 330.381 2.239 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100203720 1338156694 /nfs/dbraw/zinc/15/66/94/1338156694.db2.gz CFNNGQZVWPDJJC-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN C[NH+](C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968029 1344324854 /nfs/dbraw/zinc/32/48/54/1344324854.db2.gz CONRGIDLKZHJRW-ZIAGYGMSSA-N 0 3 343.391 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968029 1344324856 /nfs/dbraw/zinc/32/48/56/1344324856.db2.gz CONRGIDLKZHJRW-ZIAGYGMSSA-N 0 3 343.391 2.060 20 5 EEBDHN COc1cc(C(=O)Nc2cnc3c(c2)CNCC3)c([N+](=O)[O-])cc1F ZINC001579142629 1344343147 /nfs/dbraw/zinc/34/31/47/1344343147.db2.gz ARAJDLOXIGNMNY-UHFFFAOYSA-N 0 3 346.318 2.036 20 5 EEBDHN C[NH+](C)C1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCC1 ZINC001604675655 1350982368 /nfs/dbraw/zinc/98/23/68/1350982368.db2.gz PRJISVMJURSIPV-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[NH+](C)C1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001604675655 1350982370 /nfs/dbraw/zinc/98/23/70/1350982370.db2.gz PRJISVMJURSIPV-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722847 1351218074 /nfs/dbraw/zinc/21/80/74/1351218074.db2.gz COVCLEXSBKLKOC-GXTWGEPZSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722847 1351218075 /nfs/dbraw/zinc/21/80/75/1351218075.db2.gz COVCLEXSBKLKOC-GXTWGEPZSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722847 1351218079 /nfs/dbraw/zinc/21/80/79/1351218079.db2.gz COVCLEXSBKLKOC-GXTWGEPZSA-N 0 3 343.391 2.122 20 5 EEBDHN Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722847 1351218080 /nfs/dbraw/zinc/21/80/80/1351218080.db2.gz COVCLEXSBKLKOC-GXTWGEPZSA-N 0 3 343.391 2.122 20 5 EEBDHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091499 1371273137 /nfs/dbraw/zinc/27/31/37/1371273137.db2.gz JVFVLWFLNQALDD-PBHICJAKSA-N 0 3 332.356 2.172 20 5 EEBDHN COCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001755346470 1407346091 /nfs/dbraw/zinc/34/60/91/1407346091.db2.gz DMKNAXKMENTIBQ-UHFFFAOYSA-N 0 3 335.404 2.150 20 5 EEBDHN CC(C)N(C)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112093299 769557900 /nfs/dbraw/zinc/55/79/00/769557900.db2.gz LMVGYPAWSGWTMM-UHFFFAOYSA-N 0 3 336.436 2.220 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127653931 777630102 /nfs/dbraw/zinc/63/01/02/777630102.db2.gz BHYHBFCZDORLFJ-UHFFFAOYSA-N 0 3 346.431 2.188 20 5 EEBDHN O=C(CCCc1cccnc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135936684 784827215 /nfs/dbraw/zinc/82/72/15/784827215.db2.gz QFAXKJXRSFXRJU-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN CCc1n[nH]c(=O)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1CC ZINC000819163390 785440861 /nfs/dbraw/zinc/44/08/61/785440861.db2.gz PHGSMZRBVJSHBC-MRXNPFEDSA-N 0 3 346.387 2.038 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107280839 786701137 /nfs/dbraw/zinc/70/11/37/786701137.db2.gz WDUMOALEJCQUJY-PLNGDYQASA-N 0 3 338.383 2.160 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107285998 786723504 /nfs/dbraw/zinc/72/35/04/786723504.db2.gz TVYXNWHSJVSEFC-NSCUHMNNSA-N 0 3 347.350 2.092 20 5 EEBDHN Cc1c(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000156770620 789273602 /nfs/dbraw/zinc/27/36/02/789273602.db2.gz FIMDWWLILOCSSH-UHFFFAOYSA-N 0 3 338.364 2.224 20 5 EEBDHN CC([C@@H](OC(=O)CNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872194 789971290 /nfs/dbraw/zinc/97/12/90/789971290.db2.gz DMXKNBRBTKNDGR-IINYFYTJSA-N 0 3 340.351 2.238 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001093185172 794792004 /nfs/dbraw/zinc/79/20/04/794792004.db2.gz AAPMJEINTIQQHN-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN CO[C@H](CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040060 803583304 /nfs/dbraw/zinc/58/33/04/803583304.db2.gz XITFMFQRELKHHV-QXAKKESOSA-N 0 3 347.459 2.437 20 5 EEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026560 803592505 /nfs/dbraw/zinc/59/25/05/803592505.db2.gz MMZXCRFFFBRXHI-KGLIPLIRSA-N 0 3 330.388 2.395 20 5 EEBDHN O=C(CCn1cccc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001169199234 803647660 /nfs/dbraw/zinc/64/76/60/803647660.db2.gz HSANFAIHCMWZPD-UHFFFAOYSA-N 0 3 336.417 2.144 20 5 EEBDHN CN1Cc2cc(N3CCCc4ccc(CN)nc43)cc([N+](=O)[O-])c2N1 ZINC001169591008 803863429 /nfs/dbraw/zinc/86/34/29/803863429.db2.gz AVQSUXZJXAOJTP-UHFFFAOYSA-N 0 3 340.387 2.305 20 5 EEBDHN C[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170562676 812886830 /nfs/dbraw/zinc/88/68/30/812886830.db2.gz JFEJNOGOUWLPNX-WBMJQRKESA-N 0 3 328.372 2.446 20 5 EEBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001520820135 1119196513 /nfs/dbraw/zinc/19/65/13/1119196513.db2.gz FSBSGIFJPHGDAJ-ZDUSSCGKSA-N 0 3 336.440 2.090 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115442289 282294819 /nfs/dbraw/zinc/29/48/19/282294819.db2.gz NRYARMOICHERSX-ZDUSSCGKSA-N 0 3 334.420 2.075 20 5 EEBDHN C[C@@H](C[C@H]1COCCN1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087507 240359941 /nfs/dbraw/zinc/35/99/41/240359941.db2.gz OIFNCSDQKOEBLW-GWCFXTLKSA-N 0 3 347.337 2.470 20 5 EEBDHN O=C(CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451547152 243154546 /nfs/dbraw/zinc/15/45/46/243154546.db2.gz KIQAYWRTNANUDV-MRXNPFEDSA-N 0 3 347.415 2.023 20 5 EEBDHN CCO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451534636 243149070 /nfs/dbraw/zinc/14/90/70/243149070.db2.gz XXMWFHZWSFLWTI-FRFSOERESA-N 0 3 338.404 2.081 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000069857738 203058959 /nfs/dbraw/zinc/05/89/59/203058959.db2.gz YYBYSHVEXWUAHI-OAHLLOKOSA-N 0 3 349.431 2.148 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763414 245240425 /nfs/dbraw/zinc/24/04/25/245240425.db2.gz OALJNNWMMHUKHR-HRCADAONSA-N 0 3 345.399 2.247 20 5 EEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC000101958593 204026882 /nfs/dbraw/zinc/02/68/82/204026882.db2.gz DUPQYFVHUNFLMR-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162063320 206382213 /nfs/dbraw/zinc/38/22/13/206382213.db2.gz YKXTVBYPRSNGKM-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000266499854 248332611 /nfs/dbraw/zinc/33/26/11/248332611.db2.gz WVFKMTBGTGHKPC-HZPDHXFCSA-N 0 3 334.351 2.128 20 5 EEBDHN CC(C)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000174332629 207012546 /nfs/dbraw/zinc/01/25/46/207012546.db2.gz LHIXDIFUZSHEDL-GOEBONIOSA-N 0 3 340.445 2.408 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175553708 207137170 /nfs/dbraw/zinc/13/71/70/207137170.db2.gz OVYBCFLFPLVTBY-OCCSQVGLSA-N 0 3 332.404 2.361 20 5 EEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC)c(OC)c1 ZINC000267106613 256027711 /nfs/dbraw/zinc/02/77/11/256027711.db2.gz WGCXGXHHQLFRCE-UHFFFAOYSA-N 0 3 334.376 2.331 20 5 EEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1=CCN(C)CC1 ZINC000273029688 256259054 /nfs/dbraw/zinc/25/90/54/256259054.db2.gz UUMYOKYIVLINIJ-GFCCVEGCSA-N 0 3 332.404 2.041 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNCc1cccnc1 ZINC000237665209 160223770 /nfs/dbraw/zinc/22/37/70/160223770.db2.gz AYKXXIWPZSGGMA-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247496043 160326557 /nfs/dbraw/zinc/32/65/57/160326557.db2.gz LHIXDIFUZSHEDL-ZBFHGGJFSA-N 0 3 340.445 2.408 20 5 EEBDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248449796 160347168 /nfs/dbraw/zinc/34/71/68/160347168.db2.gz IJIYPPHVUVEKAD-DZGCQCFKSA-N 0 3 331.372 2.423 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344397375 161223397 /nfs/dbraw/zinc/22/33/97/161223397.db2.gz SQHRBFYTWPBMDZ-SJORKVTESA-N 0 3 333.388 2.389 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474672 161231365 /nfs/dbraw/zinc/23/13/65/161231365.db2.gz XPMCCNQELKKVOY-RAEVTNRLSA-N 0 3 347.415 2.349 20 5 EEBDHN CN1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352783805 162285649 /nfs/dbraw/zinc/28/56/49/162285649.db2.gz YXUSPKYOIBEFGY-UHFFFAOYSA-N 0 3 335.379 2.363 20 5 EEBDHN O=C(CCN1CCN(C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000358973816 164026557 /nfs/dbraw/zinc/02/65/57/164026557.db2.gz XEZUSCRWTCBTDV-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246065718 292599314 /nfs/dbraw/zinc/59/93/14/292599314.db2.gz RXPWVNLQSXJNFR-BJJXKVORSA-N 0 3 335.404 2.190 20 5 EEBDHN C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272625730 269000874 /nfs/dbraw/zinc/00/08/74/269000874.db2.gz VLAITBHGTNHODS-QWRGUYRKSA-N 0 3 341.795 2.226 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000278021390 269207608 /nfs/dbraw/zinc/20/76/08/269207608.db2.gz FKYQKLCHDPKCDZ-OAHLLOKOSA-N 0 3 332.404 2.411 20 5 EEBDHN CS(=O)(=O)CC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193013863 274171676 /nfs/dbraw/zinc/17/16/76/274171676.db2.gz CKZOKIJGJYGVTP-OAHLLOKOSA-N 0 3 338.429 2.387 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1C1CC1 ZINC000157731568 274391184 /nfs/dbraw/zinc/39/11/84/274391184.db2.gz ZUGYKMMTAJZOMB-VXGBXAGGSA-N 0 3 340.383 2.498 20 5 EEBDHN CCC[C@]1(CO)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288752134 275083833 /nfs/dbraw/zinc/08/38/33/275083833.db2.gz IBZWCMNPQHEVES-KRWDZBQOSA-N 0 3 338.404 2.467 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000289782100 275148260 /nfs/dbraw/zinc/14/82/60/275148260.db2.gz HEZTVEQPWCGSOV-CQSZACIVSA-N 0 3 346.387 2.434 20 5 EEBDHN Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000290775895 275238448 /nfs/dbraw/zinc/23/84/48/275238448.db2.gz MRHSPBWHDLRLJN-RYUDHWBXSA-N 0 3 349.412 2.463 20 5 EEBDHN COCCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000290867043 275247504 /nfs/dbraw/zinc/24/75/04/275247504.db2.gz DMQWMTMUWADVRV-UHFFFAOYSA-N 0 3 335.404 2.168 20 5 EEBDHN O=C(CCN1CC[C@@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291148226 275275649 /nfs/dbraw/zinc/27/56/49/275275649.db2.gz AEARJICTJQIKID-CYBMUJFWSA-N 0 3 329.360 2.067 20 5 EEBDHN CCN1CCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447456 276379442 /nfs/dbraw/zinc/37/94/42/276379442.db2.gz MAMRQADXVNFXTP-DLBZAZTESA-N 0 3 343.431 2.492 20 5 EEBDHN Cc1cc(N2CCCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000367824971 280550223 /nfs/dbraw/zinc/55/02/23/280550223.db2.gz QLVNDDOWCJIJFX-UHFFFAOYSA-N 0 3 335.385 2.076 20 5 EEBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234342 293158376 /nfs/dbraw/zinc/15/83/76/293158376.db2.gz SJBYXHMKVKBOAC-RHSMWYFYSA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c(N)c([N+](=O)[O-])c1 ZINC000293840101 293307616 /nfs/dbraw/zinc/30/76/16/293307616.db2.gz CMMVCOWVUHHYBC-QGZVFWFLSA-N 0 3 332.404 2.043 20 5 EEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1 ZINC000420595867 295189513 /nfs/dbraw/zinc/18/95/13/295189513.db2.gz GVWACGVGRYXKHV-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CC[C@H](C)C2)c1 ZINC000537324723 318015959 /nfs/dbraw/zinc/01/59/59/318015959.db2.gz FEVHQPHYOCTGJV-AWEZNQCLSA-N 0 3 335.404 2.130 20 5 EEBDHN COc1ccc(CNC2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000537970543 318030862 /nfs/dbraw/zinc/03/08/62/318030862.db2.gz ZOBURYDXHZZSPJ-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000563523038 319018898 /nfs/dbraw/zinc/01/88/98/319018898.db2.gz WGNSGKXERXGBBE-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000565995330 319233236 /nfs/dbraw/zinc/23/32/36/319233236.db2.gz QWIDDNCSOIIKLQ-QGZVFWFLSA-N 0 3 332.404 2.222 20 5 EEBDHN C[C@H]1C[C@H](C)CN(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000572900514 319887592 /nfs/dbraw/zinc/88/75/92/319887592.db2.gz HLFUXAGLRFWRRZ-STQMWFEESA-N 0 3 346.387 2.389 20 5 EEBDHN Cc1noc(C)c1C[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191408 320004128 /nfs/dbraw/zinc/00/41/28/320004128.db2.gz DKOVZLWZJPHZEJ-NHYWBVRUSA-N 0 3 349.387 2.160 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCSC2)cc1 ZINC000577172822 320238175 /nfs/dbraw/zinc/23/81/75/320238175.db2.gz FOUXRURIQLRFCL-LBPRGKRZSA-N 0 3 344.458 2.101 20 5 EEBDHN Cc1ccc([C@H](C)NC(=O)c2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000577885707 320282494 /nfs/dbraw/zinc/28/24/94/320282494.db2.gz RBLUBCKNKWKKBO-ZDUSSCGKSA-N 0 3 345.403 2.152 20 5 EEBDHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000182280913 323371002 /nfs/dbraw/zinc/37/10/02/323371002.db2.gz SQXTYTIPFNSBOA-GOEBONIOSA-N 0 3 333.388 2.031 20 5 EEBDHN COC1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612446906 449709125 /nfs/dbraw/zinc/70/91/25/449709125.db2.gz FEPYSPIAVHTIOW-UHFFFAOYSA-N 0 3 331.376 2.061 20 5 EEBDHN COc1ccc(-c2ccc(CNC[C@@]3(O)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000339056270 465056732 /nfs/dbraw/zinc/05/67/32/465056732.db2.gz YQCHJFHKNVBHHG-KRWDZBQOSA-N 0 3 348.355 2.104 20 5 EEBDHN CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347552905 465089814 /nfs/dbraw/zinc/08/98/14/465089814.db2.gz DESAHUGJFAXUCJ-GDBMZVCRSA-N 0 3 348.403 2.244 20 5 EEBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499007 465186952 /nfs/dbraw/zinc/18/69/52/465186952.db2.gz CDFKOOFNGWNJJW-DZGCQCFKSA-N 0 3 341.795 2.327 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC000341528878 465216814 /nfs/dbraw/zinc/21/68/14/465216814.db2.gz GENYISKFJOBZSR-NWDGAFQWSA-N 0 3 336.392 2.451 20 5 EEBDHN CC(C)N1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000347930988 465316163 /nfs/dbraw/zinc/31/61/63/465316163.db2.gz KSEKHZPJARENHO-AWEZNQCLSA-N 0 3 334.420 2.386 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000578962366 468284079 /nfs/dbraw/zinc/28/40/79/468284079.db2.gz MVMKUWQFGJNOLF-RBSFLKMASA-N 0 3 326.418 2.472 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCC[C@H](C)C1 ZINC000063810168 462673170 /nfs/dbraw/zinc/67/31/70/462673170.db2.gz CXKKRSUDYOUVMD-WDEREUQCSA-N 0 3 338.383 2.166 20 5 EEBDHN CCCN1CCC(Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000133184884 462906489 /nfs/dbraw/zinc/90/64/89/462906489.db2.gz KMECZZRMBCKDIM-UHFFFAOYSA-N 0 3 336.392 2.453 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000119615716 462915666 /nfs/dbraw/zinc/91/56/66/462915666.db2.gz SBQYINGUXBEZIU-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN Cc1cnn(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000105908493 463495167 /nfs/dbraw/zinc/49/51/67/463495167.db2.gz NWJWWMVPCNWXSP-UHFFFAOYSA-N 0 3 340.387 2.290 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110992658 463668580 /nfs/dbraw/zinc/66/85/80/463668580.db2.gz WATJJTQLXGYPOD-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276912966 463804230 /nfs/dbraw/zinc/80/42/30/463804230.db2.gz FZFUABNUTADLSY-ZBFHGGJFSA-N 0 3 333.388 2.031 20 5 EEBDHN CCN1CCN(CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177867808 463806273 /nfs/dbraw/zinc/80/62/73/463806273.db2.gz KKCVNQOPVVGLLS-OAHLLOKOSA-N 0 3 348.447 2.108 20 5 EEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269028 463853224 /nfs/dbraw/zinc/85/32/24/463853224.db2.gz SENGCRKAKJVJSM-YGRLFVJLSA-N 0 3 336.367 2.015 20 5 EEBDHN COC[C@H](C)OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278809268 463989796 /nfs/dbraw/zinc/98/97/96/463989796.db2.gz ZNXOSXLSKHPERC-YOEHRIQHSA-N 0 3 340.420 2.218 20 5 EEBDHN CC1(C)C[C@H](NC[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989267 464021347 /nfs/dbraw/zinc/02/13/47/464021347.db2.gz DPNYWBUAYZFXLM-NHYWBVRUSA-N 0 3 338.429 2.342 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270532742 464258612 /nfs/dbraw/zinc/25/86/12/464258612.db2.gz VQANDKJFEVIVOQ-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264627280 464400141 /nfs/dbraw/zinc/40/01/41/464400141.db2.gz SVDSVBBHRVSAKT-PBHICJAKSA-N 0 3 346.431 2.482 20 5 EEBDHN NC[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237954982 464410667 /nfs/dbraw/zinc/41/06/67/464410667.db2.gz IKPKJYQKEUTAMF-AWEZNQCLSA-N 0 3 335.407 2.104 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264702976 464429957 /nfs/dbraw/zinc/42/99/57/464429957.db2.gz WXLNYKQOUZOCNM-NEPJUHHUSA-N 0 3 337.424 2.121 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181893559 464536581 /nfs/dbraw/zinc/53/65/81/464536581.db2.gz NDGFQISHWQSJKD-CYBMUJFWSA-N 0 3 349.387 2.318 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272371690 464582091 /nfs/dbraw/zinc/58/20/91/464582091.db2.gz BPRMVIPTIUIPEJ-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN COCCOC1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000294811848 464613726 /nfs/dbraw/zinc/61/37/26/464613726.db2.gz NXGDFFTVNJBEHX-UHFFFAOYSA-N 0 3 338.404 2.205 20 5 EEBDHN Cc1ccc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000286317008 464877188 /nfs/dbraw/zinc/87/71/88/464877188.db2.gz JKDWEPGNTXEFDV-GOOCMWNKSA-N 0 3 346.431 2.399 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559345 464960381 /nfs/dbraw/zinc/96/03/81/464960381.db2.gz TUGZQNNHUDZCAX-GOEBONIOSA-N 0 3 335.404 2.009 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187746 464963768 /nfs/dbraw/zinc/96/37/68/464963768.db2.gz UZDMYTROBJCUCU-DOMZBBRYSA-N 0 3 332.404 2.219 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000295903871 465000682 /nfs/dbraw/zinc/00/06/82/465000682.db2.gz GTRJNTHKIWUVRL-IRXDYDNUSA-N 0 3 342.399 2.379 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000352805656 465557264 /nfs/dbraw/zinc/55/72/64/465557264.db2.gz PVXSFIKBNCZBFW-XHDPSFHLSA-N 0 3 328.372 2.242 20 5 EEBDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000353135958 465664584 /nfs/dbraw/zinc/66/45/84/465664584.db2.gz KFYMATKNAISEMO-UONOGXRCSA-N 0 3 334.372 2.234 20 5 EEBDHN CC(C)N(C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497577 465932166 /nfs/dbraw/zinc/93/21/66/465932166.db2.gz PNAGFXQBLLYHQU-MRXNPFEDSA-N 0 3 331.420 2.348 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209458 465994223 /nfs/dbraw/zinc/99/42/23/465994223.db2.gz XSJJYTNSIDSMSW-JJRVBVJISA-N 0 3 346.431 2.195 20 5 EEBDHN COc1c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263805 466040545 /nfs/dbraw/zinc/04/05/45/466040545.db2.gz NJTQBVOSMVUXKI-WOSRLPQWSA-N 0 3 347.415 2.406 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000340671058 466254354 /nfs/dbraw/zinc/25/43/54/466254354.db2.gz BSFGQXGUZLGWQQ-INIZCTEOSA-N 0 3 330.388 2.391 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000367461264 466352551 /nfs/dbraw/zinc/35/25/51/466352551.db2.gz UBXHQAKWPRUSCZ-UUOJUMCQSA-N 0 3 331.416 2.139 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCN1c1cccnn1 ZINC000363891686 466647326 /nfs/dbraw/zinc/64/73/26/466647326.db2.gz UOMUNTBUHUVXIJ-MRXNPFEDSA-N 0 3 327.388 2.452 20 5 EEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411964361 466949133 /nfs/dbraw/zinc/94/91/33/466949133.db2.gz INLFTDSPZSZJFF-GOSISDBHSA-N 0 3 325.368 2.224 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])c1C ZINC000427929295 467186766 /nfs/dbraw/zinc/18/67/66/467186766.db2.gz GKVUUFVCMKTHPN-LLVKDONJSA-N 0 3 329.422 2.007 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200960 467188709 /nfs/dbraw/zinc/18/87/09/467188709.db2.gz VQXYHSYJYSVPFW-HNNXBMFYSA-N 0 3 330.388 2.300 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420451109 467412104 /nfs/dbraw/zinc/41/21/04/467412104.db2.gz VDJSNZFMLIGGSS-ZDUSSCGKSA-N 0 3 341.433 2.022 20 5 EEBDHN CNc1nc(C(=O)N(CCN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455194648 467645235 /nfs/dbraw/zinc/64/52/35/467645235.db2.gz GNTLFXINXXQREL-UHFFFAOYSA-N 0 3 343.387 2.240 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457207735 467777231 /nfs/dbraw/zinc/77/72/31/467777231.db2.gz NCMBYPTVNZVKEV-UHFFFAOYSA-N 0 3 344.209 2.427 20 5 EEBDHN Cc1nn(CCC(=O)Nc2cc(C)cc(CN)c2)c(C)c1[N+](=O)[O-] ZINC000457369114 467809761 /nfs/dbraw/zinc/80/97/61/467809761.db2.gz HBQBCJVAOJQDSQ-UHFFFAOYSA-N 0 3 331.376 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000493240691 467868803 /nfs/dbraw/zinc/86/88/03/467868803.db2.gz WPTRSIXIWJGRIN-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000493465607 467916810 /nfs/dbraw/zinc/91/68/10/467916810.db2.gz MOUKNGPLLGWXEO-CDNLZTBQSA-N 0 3 347.415 2.225 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000533194348 468178291 /nfs/dbraw/zinc/17/82/91/468178291.db2.gz ORIYTENOIUIYNQ-DZGCQCFKSA-N 0 3 332.404 2.193 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000533194350 468178989 /nfs/dbraw/zinc/17/89/89/468178989.db2.gz ORIYTENOIUIYNQ-UKRRQHHQSA-N 0 3 332.404 2.193 20 5 EEBDHN CN1CCCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600315254 468530429 /nfs/dbraw/zinc/53/04/29/468530429.db2.gz QPEHWZXMRMMEBQ-CQSZACIVSA-N 0 3 347.415 2.406 20 5 EEBDHN COCc1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559290425 468736702 /nfs/dbraw/zinc/73/67/02/468736702.db2.gz DATJAFYOMWQGQA-QGZVFWFLSA-N 0 3 346.383 2.271 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(C[C@H]4CCOC4)CC3)c2c1 ZINC000601126535 468753528 /nfs/dbraw/zinc/75/35/28/468753528.db2.gz SRNVXJQVEUHHCQ-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598261128 468810183 /nfs/dbraw/zinc/81/01/83/468810183.db2.gz FBYNIXLFAGFRKP-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386469 468858059 /nfs/dbraw/zinc/85/80/59/468858059.db2.gz GSVOFAXTNNKLKN-GRDNDAEWSA-N 0 3 346.431 2.467 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996868 468869515 /nfs/dbraw/zinc/86/95/15/468869515.db2.gz IXBBCDAEZQKYHP-WMLDXEAASA-N 0 3 347.415 2.449 20 5 EEBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602818704 469095070 /nfs/dbraw/zinc/09/50/70/469095070.db2.gz NOPVDMRMDVHBSZ-MRXNPFEDSA-N 0 3 338.408 2.011 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066365 469158353 /nfs/dbraw/zinc/15/83/53/469158353.db2.gz NJCPSYXAKNAEMN-GJZGRUSLSA-N 0 3 333.388 2.085 20 5 EEBDHN COc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603847985 469436526 /nfs/dbraw/zinc/43/65/26/469436526.db2.gz IQXJCXOKRAIDMC-MRXNPFEDSA-N 0 3 349.431 2.290 20 5 EEBDHN O=[N+]([O-])c1ncccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000604524836 469487296 /nfs/dbraw/zinc/48/72/96/469487296.db2.gz SGFAIXCRYTYHNN-UHFFFAOYSA-N 0 3 342.403 2.009 20 5 EEBDHN CN1CC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000451625066 536467004 /nfs/dbraw/zinc/46/70/04/536467004.db2.gz ORMZRTNUWBWNSX-CJNGLKHVSA-N 0 3 328.372 2.386 20 5 EEBDHN CO[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763416 536809165 /nfs/dbraw/zinc/80/91/65/536809165.db2.gz OALJNNWMMHUKHR-OWCLPIDISA-N 0 3 345.399 2.247 20 5 EEBDHN COc1ccc([C@@H](CO)N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581696 577463128 /nfs/dbraw/zinc/46/31/28/577463128.db2.gz HRICODFSXJRFKT-QZTJIDSGSA-N 0 3 346.383 2.302 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000776590529 577463662 /nfs/dbraw/zinc/46/36/62/577463662.db2.gz HEFKPHSKALLHOK-KBRIMQKVSA-N 0 3 330.388 2.408 20 5 EEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCN(C2CC2)C1 ZINC000756950051 577853691 /nfs/dbraw/zinc/85/36/91/577853691.db2.gz AOQIKWNKOHLGMR-NSHDSACASA-N 0 3 338.795 2.284 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757786352 577864046 /nfs/dbraw/zinc/86/40/46/577864046.db2.gz DGNZVMVBZGXMGD-QMTHXVAHSA-N 0 3 334.376 2.208 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000891345642 676413873 /nfs/dbraw/zinc/41/38/73/676413873.db2.gz XOWTUFQUMNHRKC-JGVFFNPUSA-N 0 3 336.270 2.014 20 5 EEBDHN COc1ccc(C[C@](C)(CO)NCc2cccnc2[N+](=O)[O-])cc1 ZINC000933430336 676671482 /nfs/dbraw/zinc/67/14/82/676671482.db2.gz NIDZACKDJSKEQP-QGZVFWFLSA-N 0 3 331.372 2.082 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ncccc1F ZINC001022888988 678727245 /nfs/dbraw/zinc/72/72/45/678727245.db2.gz VFKHQZLHWNKVQK-BETUJISGSA-N 0 3 344.346 2.180 20 5 EEBDHN COc1c([O-])ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894413302 682867394 /nfs/dbraw/zinc/86/73/94/682867394.db2.gz LVZJVOHGVVXISE-GXTWGEPZSA-N 0 3 335.404 2.368 20 5 EEBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN(CCOC(C)C)CC1 ZINC000892783021 683041740 /nfs/dbraw/zinc/04/17/40/683041740.db2.gz YZZNYHSJSWZVDM-UHFFFAOYSA-N 0 3 338.408 2.300 20 5 EEBDHN CC1(C)CCN(CC(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC001059819410 689930041 /nfs/dbraw/zinc/93/00/41/689930041.db2.gz GXASMGKNGUXHCV-OKILXGFUSA-N 0 3 346.431 2.386 20 5 EEBDHN COc1cc(CNCCN2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000898035109 691857468 /nfs/dbraw/zinc/85/74/68/691857468.db2.gz LKAIVFOFGZXGSK-UHFFFAOYSA-N 0 3 337.420 2.434 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000876688343 1199722788 /nfs/dbraw/zinc/72/27/88/1199722788.db2.gz ROYFVCYKBFYDTA-MSOLQXFVSA-N 0 3 333.432 2.243 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc([N+](=O)[O-])c1 ZINC000877345106 1199909349 /nfs/dbraw/zinc/90/93/49/1199909349.db2.gz VWIFSXVBDLJNOO-INIZCTEOSA-N 0 3 325.368 2.348 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877347079 1199910217 /nfs/dbraw/zinc/91/02/17/1199910217.db2.gz QILKHVNDVISJFL-HNNXBMFYSA-N 0 3 340.383 2.081 20 5 EEBDHN COC(=O)CC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040786 1201360799 /nfs/dbraw/zinc/36/07/99/1201360799.db2.gz KBXYEJGLMRAMHV-CZUORRHYSA-N 0 3 336.388 2.293 20 5 EEBDHN CC(C)OCCN1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882048841 1201808114 /nfs/dbraw/zinc/80/81/14/1201808114.db2.gz UIZBAFHFIVZGDP-UHFFFAOYSA-N 0 3 326.372 2.430 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095423596 1205733359 /nfs/dbraw/zinc/73/33/59/1205733359.db2.gz DBVKOVZFSXMGGR-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495338 1207616634 /nfs/dbraw/zinc/61/66/34/1207616634.db2.gz ZZLDLACEENTGEN-MWODSPESSA-N 0 3 327.768 2.200 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)Cc1cccnc1 ZINC000934231950 1207927901 /nfs/dbraw/zinc/92/79/01/1207927901.db2.gz BBBQXTABKZMFKU-CYBMUJFWSA-N 0 3 328.372 2.458 20 5 EEBDHN C[NH+](C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212937164 1214667348 /nfs/dbraw/zinc/66/73/48/1214667348.db2.gz RHOVZSWAKYOWFP-UHFFFAOYSA-N 0 3 341.327 2.474 20 5 EEBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000796449090 1218197610 /nfs/dbraw/zinc/19/76/10/1218197610.db2.gz KIAJKOOOZHXWDB-LBPRGKRZSA-N 0 3 338.364 2.200 20 5 EEBDHN Cc1cc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)ns1 ZINC001020112379 1229489358 /nfs/dbraw/zinc/48/93/58/1229489358.db2.gz JKLFMYYQMBFRBU-JOCQHMNTSA-N 0 3 346.412 2.410 20 5 EEBDHN Cc1noc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c1C ZINC001020274113 1229596409 /nfs/dbraw/zinc/59/64/09/1229596409.db2.gz XRNBAYUXGGKEBO-HDJSIYSDSA-N 0 3 344.371 2.250 20 5 EEBDHN CC(C)=CC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048653381 1238199124 /nfs/dbraw/zinc/19/91/24/1238199124.db2.gz DYQOHFFVQFUHRG-IYBDPMFKSA-N 0 3 329.400 2.451 20 5 EEBDHN CC(C)[C@@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853498715 1292400926 /nfs/dbraw/zinc/40/09/26/1292400926.db2.gz QEXHVWBWQMRLIH-HNNXBMFYSA-N 0 3 344.419 2.083 20 5 EEBDHN O=[N+]([O-])c1c[n+]([O-])ccc1OC1CCN(Cc2ccccc2)CC1 ZINC001229454628 1302791709 /nfs/dbraw/zinc/79/17/09/1302791709.db2.gz OOOUPUGUMSBZKE-UHFFFAOYSA-N 0 3 329.356 2.272 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CNc1cccc(C)n1 ZINC001119309322 1309044003 /nfs/dbraw/zinc/04/40/03/1309044003.db2.gz VJZKVAAKBIFPSE-OAHLLOKOSA-N 0 3 344.419 2.380 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(C2CC2)cn1 ZINC001149512785 1315980401 /nfs/dbraw/zinc/98/04/01/1315980401.db2.gz HSOWKKXJWXDGBX-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN COc1cc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)ccn1 ZINC001249341774 1317057056 /nfs/dbraw/zinc/05/70/56/1317057056.db2.gz AENYSMRSSSDRJL-GFCCVEGCSA-N 0 3 341.327 2.291 20 5 EEBDHN C[C@H](N)c1nc2ccccc2n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001155254794 1317523583 /nfs/dbraw/zinc/52/35/83/1317523583.db2.gz OVAFFQTYFWIZEV-QMMMGPOBSA-N 0 3 333.735 2.240 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(OC2COC2)ccn1 ZINC001254538724 1318115032 /nfs/dbraw/zinc/11/50/32/1318115032.db2.gz ZYIYRWAAQNBGKM-ZDUSSCGKSA-N 0 3 343.383 2.488 20 5 EEBDHN COc1ccccc1[C@@H](CO)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589025 1318137086 /nfs/dbraw/zinc/13/70/86/1318137086.db2.gz LAFPSSWIICLTGS-RHSMWYFYSA-N 0 3 328.368 2.394 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001163581987 1321162496 /nfs/dbraw/zinc/16/24/96/1321162496.db2.gz JJEBMQDIRKRNRB-UHFFFAOYSA-N 0 3 343.387 2.008 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)c1cnco1 ZINC001166466644 1321722856 /nfs/dbraw/zinc/72/28/56/1321722856.db2.gz BTJZWEJZMDYXET-UHFFFAOYSA-N 0 3 344.371 2.273 20 5 EEBDHN Cn1cc(N2CC[C@@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC001320577295 1332914420 /nfs/dbraw/zinc/91/44/20/1332914420.db2.gz XSHGKKAMLRIMDV-GFCCVEGCSA-N 0 3 335.795 2.350 20 5 EEBDHN CC(C)Oc1nc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659640 1338737147 /nfs/dbraw/zinc/73/71/47/1338737147.db2.gz OJBOVNCTEDHQPO-CHWSQXEVSA-N 0 3 336.392 2.052 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589137386 1348964417 /nfs/dbraw/zinc/96/44/17/1348964417.db2.gz ZQXKISPSZBKEEU-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589137386 1348964421 /nfs/dbraw/zinc/96/44/21/1348964421.db2.gz ZQXKISPSZBKEEU-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589137386 1348964425 /nfs/dbraw/zinc/96/44/25/1348964425.db2.gz ZQXKISPSZBKEEU-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589137386 1348964428 /nfs/dbraw/zinc/96/44/28/1348964428.db2.gz ZQXKISPSZBKEEU-NSHDSACASA-N 0 3 331.380 2.060 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001589321949 1348982977 /nfs/dbraw/zinc/98/29/77/1348982977.db2.gz ZMQMEHZHBOHMRF-UHFFFAOYSA-N 0 3 346.391 2.070 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001589321949 1348982982 /nfs/dbraw/zinc/98/29/82/1348982982.db2.gz ZMQMEHZHBOHMRF-UHFFFAOYSA-N 0 3 346.391 2.070 20 5 EEBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001589981073 1349093201 /nfs/dbraw/zinc/09/32/01/1349093201.db2.gz HRUMMVMAZBHPRU-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN CCCN(C)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110596045 1369125169 /nfs/dbraw/zinc/12/51/69/1369125169.db2.gz RSRNNVZEWQLSJS-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306209 1369260839 /nfs/dbraw/zinc/26/08/39/1369260839.db2.gz AIKTWBOHVWBKHM-UHFFFAOYSA-N 0 3 341.412 2.026 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100546924 1373076892 /nfs/dbraw/zinc/07/68/92/1373076892.db2.gz YMQVJIRLHXRQKL-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN CC(C)n1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001167494310 760033978 /nfs/dbraw/zinc/03/39/78/760033978.db2.gz CMRYYCFMPOIDFR-UHFFFAOYSA-N 0 3 345.403 2.282 20 5 EEBDHN Cn1cncc1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846765184 790519161 /nfs/dbraw/zinc/51/91/61/790519161.db2.gz ZFRSMJBURSVVAI-UHFFFAOYSA-N 0 3 329.404 2.083 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1C ZINC001135317689 783601705 /nfs/dbraw/zinc/60/17/05/783601705.db2.gz VORRAOYLUMKSQX-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816904283 784347180 /nfs/dbraw/zinc/34/71/80/784347180.db2.gz GQPQPFCEZBZFFC-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN COC(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819375354 785538751 /nfs/dbraw/zinc/53/87/51/785538751.db2.gz SXCGUBAQYKEHMM-ZDUSSCGKSA-N 0 3 336.369 2.266 20 5 EEBDHN Cc1ccc(NC/C=C/CNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001107233161 786548598 /nfs/dbraw/zinc/54/85/98/786548598.db2.gz LPJLRNPYNQQDHS-AATRIKPKSA-N 0 3 334.420 2.328 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107391857 787105833 /nfs/dbraw/zinc/10/58/33/787105833.db2.gz OAAGSMXKXRSROH-SREVYHEPSA-N 0 3 334.420 2.409 20 5 EEBDHN CC(C)(C)N1CC[C@@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845734773 789928512 /nfs/dbraw/zinc/92/85/12/789928512.db2.gz ITXQAHDGGLGOSV-CQSZACIVSA-N 0 3 346.387 2.361 20 5 EEBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC001147483221 791855096 /nfs/dbraw/zinc/85/50/96/791855096.db2.gz NBJVEEHLHGAFLO-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(Cl)no1 ZINC001171782030 796743638 /nfs/dbraw/zinc/74/36/38/796743638.db2.gz WEGWJKZBTUNXCX-UHFFFAOYSA-N 0 3 338.751 2.146 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CC(C)C)C(N)=O)c1F ZINC001173181105 797279454 /nfs/dbraw/zinc/27/94/54/797279454.db2.gz ATNWDNPADAYWLX-PWSUYJOCSA-N 0 3 341.383 2.163 20 5 EEBDHN CCN(CC)CC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095180780 797490894 /nfs/dbraw/zinc/49/08/94/797490894.db2.gz FHCGHCQWFYCZHL-UHFFFAOYSA-N 0 3 348.447 2.284 20 5 EEBDHN CN1CCNC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212223987 798094165 /nfs/dbraw/zinc/09/41/65/798094165.db2.gz AXRFJZVHATXIJG-HNNXBMFYSA-N 0 3 346.394 2.409 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110193765 798368476 /nfs/dbraw/zinc/36/84/76/798368476.db2.gz WVZFLRYNRCSLGA-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170353382 809901784 /nfs/dbraw/zinc/90/17/84/809901784.db2.gz XJNKYZVNGFURBI-GFCCVEGCSA-N 0 3 349.387 2.109 20 5 EEBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(OCC)c2)CCNC1 ZINC001170520892 812169491 /nfs/dbraw/zinc/16/94/91/812169491.db2.gz NXHVDPWALMQDNJ-UHFFFAOYSA-N 0 3 335.360 2.216 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066143497 215017004 /nfs/dbraw/zinc/01/70/04/215017004.db2.gz DFQRUYXCZMGYDP-ZDUSSCGKSA-N 0 3 348.359 2.122 20 5 EEBDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183438294 235077768 /nfs/dbraw/zinc/07/77/68/235077768.db2.gz RYMCUKGYFOCIPU-LLVKDONJSA-N 0 3 331.376 2.316 20 5 EEBDHN CCN(CCCNCc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000236850804 201148237 /nfs/dbraw/zinc/14/82/37/201148237.db2.gz AVYKJFFVXPFXSS-UHFFFAOYSA-N 0 3 349.840 2.009 20 5 EEBDHN CN(C)C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000419008760 239396459 /nfs/dbraw/zinc/39/64/59/239396459.db2.gz LWCGPNBUJIQDPR-UHFFFAOYSA-N 0 3 343.387 2.065 20 5 EEBDHN Nc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000193497315 240188781 /nfs/dbraw/zinc/18/87/81/240188781.db2.gz VYVBMXPODIXRJQ-MRXNPFEDSA-N 0 3 342.399 2.356 20 5 EEBDHN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000426107782 241219458 /nfs/dbraw/zinc/21/94/58/241219458.db2.gz BIUVTHGEKQFTMC-NSHDSACASA-N 0 3 331.294 2.095 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451493504 243133527 /nfs/dbraw/zinc/13/35/27/243133527.db2.gz QJNJNPPIBJICLJ-CSMYWGQOSA-N 0 3 345.399 2.389 20 5 EEBDHN C[C@H](N[C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617350 243178338 /nfs/dbraw/zinc/17/83/38/243178338.db2.gz XPYYBWKTGQQZRH-JECHBYEQSA-N 0 3 347.415 2.309 20 5 EEBDHN CCN1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000110815195 204324791 /nfs/dbraw/zinc/32/47/91/204324791.db2.gz KFXCGLOZHDZYTD-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN C[NH+](C)Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000017334043 211966775 /nfs/dbraw/zinc/96/67/75/211966775.db2.gz QVGVSCXLPUYYKJ-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000492072064 246288243 /nfs/dbraw/zinc/28/82/43/246288243.db2.gz HZPPUFXCSKGLSX-UMCUBORVSA-N 0 3 333.363 2.489 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103244 248098866 /nfs/dbraw/zinc/09/88/66/248098866.db2.gz SGYATZCGUONJGY-MEDUHNTESA-N 0 3 330.388 2.488 20 5 EEBDHN C[C@]1(c2ccccc2)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266564253 248362155 /nfs/dbraw/zinc/36/21/55/248362155.db2.gz ZAWLRJVNJPXCIU-MSOLQXFVSA-N 0 3 344.415 2.206 20 5 EEBDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094878 256112236 /nfs/dbraw/zinc/11/22/36/256112236.db2.gz CLTPCIAHFCIZID-MKBNYLNASA-N 0 3 332.404 2.438 20 5 EEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1Cc1ccccc1 ZINC000268137710 256117244 /nfs/dbraw/zinc/11/72/44/256117244.db2.gz JVGBSBLQESMCRK-WCQYABFASA-N 0 3 328.376 2.042 20 5 EEBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349430 256235897 /nfs/dbraw/zinc/23/58/97/256235897.db2.gz SNRKBGKAZPCFJJ-LLVKDONJSA-N 0 3 331.319 2.329 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273499910 256301925 /nfs/dbraw/zinc/30/19/25/256301925.db2.gz LYTUUOFZFYJWOW-GJZGRUSLSA-N 0 3 335.429 2.247 20 5 EEBDHN Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000068360137 292162017 /nfs/dbraw/zinc/16/20/17/292162017.db2.gz DMNXNBYEBLZHQV-SNVBAGLBSA-N 0 3 342.359 2.042 20 5 EEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](n2ccnc2)C1 ZINC000377168472 154070493 /nfs/dbraw/zinc/07/04/93/154070493.db2.gz MIBYIVANPCSMFX-GFCCVEGCSA-N 0 3 340.343 2.145 20 5 EEBDHN C[C@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000190324128 160157868 /nfs/dbraw/zinc/15/78/68/160157868.db2.gz HSNRFJAVXQKEOP-RYUDHWBXSA-N 0 3 340.449 2.377 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342275188 161052626 /nfs/dbraw/zinc/05/26/26/161052626.db2.gz ALSASYZBFXLIQB-NWDGAFQWSA-N 0 3 326.324 2.127 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000343055460 161098944 /nfs/dbraw/zinc/09/89/44/161098944.db2.gz SSOAGQVHNIQKNR-CYBMUJFWSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1ccc(CN(C)C2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000344115454 161199679 /nfs/dbraw/zinc/19/96/79/161199679.db2.gz NRFITFZIONJRBA-UHFFFAOYSA-N 0 3 335.404 2.483 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000345840272 161336496 /nfs/dbraw/zinc/33/64/96/161336496.db2.gz HWHIWHCIVIAXEK-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346516025 161378720 /nfs/dbraw/zinc/37/87/20/161378720.db2.gz WFZLVDJBUZBIDF-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352587120 162200402 /nfs/dbraw/zinc/20/04/02/162200402.db2.gz ZHRUXMOCVSTSOU-LLVKDONJSA-N 0 3 347.412 2.133 20 5 EEBDHN CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352587120 162200405 /nfs/dbraw/zinc/20/04/05/162200405.db2.gz ZHRUXMOCVSTSOU-LLVKDONJSA-N 0 3 347.412 2.133 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295968 164277656 /nfs/dbraw/zinc/27/76/56/164277656.db2.gz KOQKGLAMUIGLJQ-ZFWWWQNUSA-N 0 3 342.399 2.184 20 5 EEBDHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369672331 166311227 /nfs/dbraw/zinc/31/12/27/166311227.db2.gz ZDVNSDLZDADRKD-ZIAGYGMSSA-N 0 3 349.435 2.218 20 5 EEBDHN Cc1cc(C(=O)NCCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277388715 269152943 /nfs/dbraw/zinc/15/29/43/269152943.db2.gz DDGYALAEUQGQQR-CQSZACIVSA-N 0 3 335.404 2.134 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193333249 274058337 /nfs/dbraw/zinc/05/83/37/274058337.db2.gz QLYPJULKVVVZEP-AWEZNQCLSA-N 0 3 349.435 2.180 20 5 EEBDHN CCC[C@]1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285478013 274738766 /nfs/dbraw/zinc/73/87/66/274738766.db2.gz HWSJUGOFCLKVHZ-INIZCTEOSA-N 0 3 337.376 2.091 20 5 EEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952485 274921271 /nfs/dbraw/zinc/92/12/71/274921271.db2.gz FOZRXAVCPUHJFR-XHDPSFHLSA-N 0 3 348.359 2.202 20 5 EEBDHN CCN1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000291591161 275320597 /nfs/dbraw/zinc/32/05/97/275320597.db2.gz LGYKOHANCQYUJU-UHFFFAOYSA-N 0 3 332.404 2.383 20 5 EEBDHN CN1CCC[C@H](N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000368393449 277074258 /nfs/dbraw/zinc/07/42/58/277074258.db2.gz OGRQXBIJWJBAKP-ZDUSSCGKSA-N 0 3 338.839 2.464 20 5 EEBDHN CNC(=O)[C@H](CCSC)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475970 277249865 /nfs/dbraw/zinc/24/98/65/277249865.db2.gz FVZKMSQKUNEWTC-OCCSQVGLSA-N 0 3 339.461 2.373 20 5 EEBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCN1C ZINC000421001333 314019729 /nfs/dbraw/zinc/01/97/29/314019729.db2.gz LDWIMRCEFPTISK-CQSZACIVSA-N 0 3 331.376 2.171 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC000421573603 314119473 /nfs/dbraw/zinc/11/94/73/314119473.db2.gz JDCKCACUIGFXSW-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422031504 314172447 /nfs/dbraw/zinc/17/24/47/314172447.db2.gz CDLPXFJIUSNNEA-OAHLLOKOSA-N 0 3 333.388 2.110 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(F)c1 ZINC000560871142 318816502 /nfs/dbraw/zinc/81/65/02/318816502.db2.gz HIFGVJOXYQYXTD-UHFFFAOYSA-N 0 3 348.334 2.322 20 5 EEBDHN CCc1cnccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005919 319234407 /nfs/dbraw/zinc/23/44/07/319234407.db2.gz XTHSTCIRLADLKW-HNNXBMFYSA-N 0 3 331.372 2.082 20 5 EEBDHN N[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000575734127 320108815 /nfs/dbraw/zinc/10/88/15/320108815.db2.gz CCDDDGUZUOXPIZ-INIZCTEOSA-N 0 3 340.383 2.363 20 5 EEBDHN CN(C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000281054746 464314890 /nfs/dbraw/zinc/31/48/90/464314890.db2.gz KSGNLDVLWRQXHM-UHFFFAOYSA-N 0 3 325.796 2.391 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000298142509 465313568 /nfs/dbraw/zinc/31/35/68/465313568.db2.gz ICLDWLRTOUUYDZ-UHFFFAOYSA-N 0 3 332.404 2.017 20 5 EEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000496482534 468276810 /nfs/dbraw/zinc/27/68/10/468276810.db2.gz UXLPMKCZFSNRDZ-SRVKXCTJSA-N 0 3 332.397 2.380 20 5 EEBDHN CCO[C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000578962368 468284917 /nfs/dbraw/zinc/28/49/17/468284917.db2.gz MVMKUWQFGJNOLF-ZNMIVQPWSA-N 0 3 326.418 2.472 20 5 EEBDHN Cc1nn(C)c(C(=O)Nc2ccc(C)cc2CN(C)C)c1[N+](=O)[O-] ZINC000113911631 462616648 /nfs/dbraw/zinc/61/66/48/462616648.db2.gz QNZIPJMETOWDJP-UHFFFAOYSA-N 0 3 331.376 2.259 20 5 EEBDHN COc1ccc2c(c1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000535586999 468315672 /nfs/dbraw/zinc/31/56/72/468315672.db2.gz WNVHTRICRCKLJF-UHFFFAOYSA-N 0 3 343.383 2.214 20 5 EEBDHN C[C@]1(c2ccccc2)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743337 462756499 /nfs/dbraw/zinc/75/64/99/462756499.db2.gz ZAWLRJVNJPXCIU-ROUUACIJSA-N 0 3 344.415 2.206 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065534455 462792740 /nfs/dbraw/zinc/79/27/40/462792740.db2.gz DLZPUGTXRNSHJE-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000090553269 462797691 /nfs/dbraw/zinc/79/76/91/462797691.db2.gz IFDDGXRMRURLCH-MRXNPFEDSA-N 0 3 329.356 2.299 20 5 EEBDHN C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C ZINC000047856738 462828595 /nfs/dbraw/zinc/82/85/95/462828595.db2.gz OOAAGQASSAHCQR-VIFPVBQESA-N 0 3 349.309 2.216 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(C)CC1 ZINC000068902195 463187830 /nfs/dbraw/zinc/18/78/30/463187830.db2.gz ZJYCFMGQLBHWKS-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN(C)C1 ZINC000135785046 463197789 /nfs/dbraw/zinc/19/77/89/463197789.db2.gz VCQBGWUEXPMTNY-CQSZACIVSA-N 0 3 330.388 2.171 20 5 EEBDHN CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159046336 463265975 /nfs/dbraw/zinc/26/59/75/463265975.db2.gz DEJYLQJBCVIQQU-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(c2ccncc2)CC1 ZINC000125281167 463525571 /nfs/dbraw/zinc/52/55/71/463525571.db2.gz SVZMQMUQYQZCBA-UHFFFAOYSA-N 0 3 328.372 2.191 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000042595548 463579193 /nfs/dbraw/zinc/57/91/93/463579193.db2.gz RWNSWCVFPJYEDC-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000276836583 463774767 /nfs/dbraw/zinc/77/47/67/463774767.db2.gz PFOMPNOBENOCMK-WFASDCNBSA-N 0 3 333.388 2.078 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759201 464182255 /nfs/dbraw/zinc/18/22/55/464182255.db2.gz NHDAPWZXUGJMAP-LBPRGKRZSA-N 0 3 343.387 2.491 20 5 EEBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292408198 464221708 /nfs/dbraw/zinc/22/17/08/464221708.db2.gz VOHTYNJIXQDPJT-CYBMUJFWSA-N 0 3 341.209 2.284 20 5 EEBDHN CN(C[C@@H]1CCCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174144289 464367792 /nfs/dbraw/zinc/36/77/92/464367792.db2.gz WKCFTJYIAIWKRG-XJKSGUPXSA-N 0 3 333.388 2.059 20 5 EEBDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381607 464543768 /nfs/dbraw/zinc/54/37/68/464543768.db2.gz ABLJQNQLLZQLBU-IUODEOHRSA-N 0 3 335.404 2.209 20 5 EEBDHN Cn1ccnc1[C@@H](NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514156 464638779 /nfs/dbraw/zinc/63/87/79/464638779.db2.gz JTEAZZIPHOSVBK-INIZCTEOSA-N 0 3 329.404 2.102 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000175883944 464650952 /nfs/dbraw/zinc/65/09/52/464650952.db2.gz WVUJCDNLVVQBFP-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN(C2CC2)C1 ZINC000294970846 464666711 /nfs/dbraw/zinc/66/67/11/464666711.db2.gz OIXKVLZCCNWGKC-LBPRGKRZSA-N 0 3 344.415 2.400 20 5 EEBDHN COc1cc(C(=O)NC[C@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1F ZINC000295013667 464678420 /nfs/dbraw/zinc/67/84/20/464678420.db2.gz XVRFDUBEMGZFEL-NSHDSACASA-N 0 3 341.383 2.449 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1 ZINC000568979279 468416097 /nfs/dbraw/zinc/41/60/97/468416097.db2.gz YJFGLZICGDORBY-CQSZACIVSA-N 0 3 334.351 2.105 20 5 EEBDHN CCN(C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182967780 464768253 /nfs/dbraw/zinc/76/82/53/464768253.db2.gz VQTAOKAMTIRJPY-UHFFFAOYSA-N 0 3 331.825 2.408 20 5 EEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1CC(C)(C)O ZINC000282355236 464786089 /nfs/dbraw/zinc/78/60/89/464786089.db2.gz AXPJOAMROVUHQH-LBPRGKRZSA-N 0 3 325.384 2.011 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000286053383 464787924 /nfs/dbraw/zinc/78/79/24/464787924.db2.gz HXUKNFDJUFLWES-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189247 464883097 /nfs/dbraw/zinc/88/30/97/464883097.db2.gz NVDXUBGYUSHVEV-OLZOCXBDSA-N 0 3 326.418 2.162 20 5 EEBDHN COC(=O)c1cc(NC(=O)C2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000192570078 464950070 /nfs/dbraw/zinc/95/00/70/464950070.db2.gz FEYUJQPTBGZHBG-UHFFFAOYSA-N 0 3 347.371 2.194 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCSC1 ZINC000342931035 465396335 /nfs/dbraw/zinc/39/63/35/465396335.db2.gz WXMGWJCGXCKOEH-MRXNPFEDSA-N 0 3 348.428 2.243 20 5 EEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371303295 465701497 /nfs/dbraw/zinc/70/14/97/465701497.db2.gz NYXIGXYYRKUUAI-YJBOKZPZSA-N 0 3 332.448 2.053 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CN(C)C[C@H]3C)n2)c1 ZINC000361252299 465863540 /nfs/dbraw/zinc/86/35/40/465863540.db2.gz OPMUUHKGVBGSSY-ZWNOBZJWSA-N 0 3 332.360 2.242 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000353555850 465974849 /nfs/dbraw/zinc/97/48/49/465974849.db2.gz WULNLSUBAJXHJX-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC000366908192 466010066 /nfs/dbraw/zinc/01/00/66/466010066.db2.gz CRLANCWKUASBPT-DOTOQJQBSA-N 0 3 337.395 2.467 20 5 EEBDHN COc1cccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331305064 466023078 /nfs/dbraw/zinc/02/30/78/466023078.db2.gz WOIOIEHZBWVBNR-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000353760751 466126080 /nfs/dbraw/zinc/12/60/80/466126080.db2.gz AZMSRCGMPDOABK-GFCCVEGCSA-N 0 3 340.401 2.132 20 5 EEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)(C)CN(C)C ZINC000302642661 466162230 /nfs/dbraw/zinc/16/22/30/466162230.db2.gz LNBMRCDDEOYJOM-LLVKDONJSA-N 0 3 343.449 2.387 20 5 EEBDHN COc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000346827631 466181277 /nfs/dbraw/zinc/18/12/77/466181277.db2.gz LKLBHANFQPIHFA-HNNXBMFYSA-N 0 3 334.347 2.436 20 5 EEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009820 466345739 /nfs/dbraw/zinc/34/57/39/466345739.db2.gz DFBCKKFJHLKRBR-DABQJJPHSA-N 0 3 349.387 2.127 20 5 EEBDHN Cc1cc(NC[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340919546 466435134 /nfs/dbraw/zinc/43/51/34/466435134.db2.gz SFYULJNVWLKGOY-GFCCVEGCSA-N 0 3 349.412 2.110 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312060 466555883 /nfs/dbraw/zinc/55/58/83/466555883.db2.gz PMUARBFIKFCLIT-DZGCQCFKSA-N 0 3 342.399 2.499 20 5 EEBDHN CN(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000362129170 466576295 /nfs/dbraw/zinc/57/62/95/466576295.db2.gz KAJNIMYUEKQAIR-UHFFFAOYSA-N 0 3 346.362 2.377 20 5 EEBDHN Cc1c(Br)c(NCC2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000347413879 466620705 /nfs/dbraw/zinc/62/07/05/466620705.db2.gz LBAJLVKBWRQGDQ-UHFFFAOYSA-N 0 3 341.209 2.735 20 5 EEBDHN C[C@@H]1CCN[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223107 466699867 /nfs/dbraw/zinc/69/98/67/466699867.db2.gz DVTPLBUKLBAVKA-CXAGYDPISA-N 0 3 347.415 2.353 20 5 EEBDHN Cc1cc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc([N+](=O)[O-])c1 ZINC000373225341 466733691 /nfs/dbraw/zinc/73/36/91/466733691.db2.gz FGURWFRYBVXHAG-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H](N)c1ccccc1 ZINC000423823542 466859005 /nfs/dbraw/zinc/85/90/05/466859005.db2.gz IETUEHCKJKASHV-YVEFUNNKSA-N 0 3 340.383 2.211 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCN1CCCO ZINC000452778405 467422828 /nfs/dbraw/zinc/42/28/28/467422828.db2.gz DQMIANQLDFJBGM-OAHLLOKOSA-N 0 3 349.431 2.097 20 5 EEBDHN Cc1cc(OCC(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431571481 467525878 /nfs/dbraw/zinc/52/58/78/467525878.db2.gz PYHUPGCAOFMDAZ-ZDUSSCGKSA-N 0 3 335.404 2.130 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497605 467651969 /nfs/dbraw/zinc/65/19/69/467651969.db2.gz AQQKYVCSSGIKAC-IAGOWNOFSA-N 0 3 348.399 2.348 20 5 EEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCN1CCCO ZINC000450600932 467877474 /nfs/dbraw/zinc/87/74/74/467877474.db2.gz XHABSJRSMHBZEO-JTQLQIEISA-N 0 3 348.325 2.267 20 5 EEBDHN Cn1ccnc1[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869520 467960126 /nfs/dbraw/zinc/96/01/26/467960126.db2.gz ATBJUSIYUDXBPL-ZDUSSCGKSA-N 0 3 343.387 2.146 20 5 EEBDHN COc1ccc(CC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000532873067 468146949 /nfs/dbraw/zinc/14/69/49/468146949.db2.gz IYVRUHSVTCHXKU-CABCVRRESA-N 0 3 347.415 2.089 20 5 EEBDHN CCC(C)(C)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594389472 468569075 /nfs/dbraw/zinc/56/90/75/468569075.db2.gz JEQYJFMTXQLWPJ-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000582919449 468617250 /nfs/dbraw/zinc/61/72/50/468617250.db2.gz AGJGEJHYDCFCIY-AWEZNQCLSA-N 0 3 332.356 2.133 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598219991 468797035 /nfs/dbraw/zinc/79/70/35/468797035.db2.gz NCGFOOJJVXEDCZ-GFCCVEGCSA-N 0 3 349.435 2.407 20 5 EEBDHN CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832196 468799255 /nfs/dbraw/zinc/79/92/55/468799255.db2.gz SVISPKCUWJXCLP-AWEZNQCLSA-N 0 3 335.404 2.089 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595454244 468858381 /nfs/dbraw/zinc/85/83/81/468858381.db2.gz FSZKXCCETJGIKX-HOTGVXAUSA-N 0 3 337.395 2.467 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000593072706 468860879 /nfs/dbraw/zinc/86/08/79/468860879.db2.gz LJUWEZNCCCBVKZ-LBPRGKRZSA-N 0 3 342.342 2.456 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(F)cc(F)c2)c1 ZINC000584792289 468938322 /nfs/dbraw/zinc/93/83/22/468938322.db2.gz MCXPXELNODPUQZ-OAHLLOKOSA-N 0 3 338.310 2.403 20 5 EEBDHN COc1ccc(OCCN2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000598646926 468944139 /nfs/dbraw/zinc/94/41/39/468944139.db2.gz HXRHWGRZRMZCND-ZDUSSCGKSA-N 0 3 338.404 2.465 20 5 EEBDHN CC1(C)C[C@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908585 469077225 /nfs/dbraw/zinc/07/72/25/469077225.db2.gz ISLNXXYYDCNQGD-WBVHZDCISA-N 0 3 330.388 2.067 20 5 EEBDHN COc1ccc(CNC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598988360 469077359 /nfs/dbraw/zinc/07/73/59/469077359.db2.gz QGHUCDYQTSSOLB-GFCCVEGCSA-N 0 3 329.347 2.423 20 5 EEBDHN COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000598989067 469078181 /nfs/dbraw/zinc/07/81/81/469078181.db2.gz ZLVKBQVTDLQXGC-LLVKDONJSA-N 0 3 345.346 2.128 20 5 EEBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596075618 469141614 /nfs/dbraw/zinc/14/16/14/469141614.db2.gz KQJFBXUJYPWHGR-CQSZACIVSA-N 0 3 334.401 2.470 20 5 EEBDHN CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000611713190 469307878 /nfs/dbraw/zinc/30/78/78/469307878.db2.gz ZURIOVIDWAKYPM-KBPBESRZSA-N 0 3 333.417 2.020 20 5 EEBDHN Cc1n[nH]c(C(=O)NCCN2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000619675130 469662813 /nfs/dbraw/zinc/66/28/13/469662813.db2.gz AAXCYTHBBCNYAS-UHFFFAOYSA-N 0 3 349.435 2.402 20 5 EEBDHN CC(C)C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C ZINC000609624003 469950024 /nfs/dbraw/zinc/95/00/24/469950024.db2.gz QTTJMYHAZNDIQK-LLVKDONJSA-N 0 3 337.376 2.030 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000583101039 485579283 /nfs/dbraw/zinc/57/92/83/485579283.db2.gz HDCSZIXFTCTRLA-CQSZACIVSA-N 0 3 334.420 2.121 20 5 EEBDHN C[C@@H](N[C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803151 577231134 /nfs/dbraw/zinc/23/11/34/577231134.db2.gz OJTNVLMGMFHDIU-NOZJJQNGSA-N 0 3 341.795 2.326 20 5 EEBDHN CO[C@H](CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291172 577393889 /nfs/dbraw/zinc/39/38/89/577393889.db2.gz CXGXFXJFNDESSP-GMTAPVOTSA-N 0 3 336.314 2.442 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000771179225 577611194 /nfs/dbraw/zinc/61/11/94/577611194.db2.gz ADGCHLNMSRJFTB-UHFFFAOYSA-N 0 3 340.387 2.206 20 5 EEBDHN CCc1nn(C)c(CC)c1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000756026022 577837149 /nfs/dbraw/zinc/83/71/49/577837149.db2.gz QNJKFAQQCMKCAQ-QGZVFWFLSA-N 0 3 332.404 2.276 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736100183 578179762 /nfs/dbraw/zinc/17/97/62/578179762.db2.gz BUSQWUFCTXROHQ-LBPRGKRZSA-N 0 3 336.348 2.107 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001020494201 674935677 /nfs/dbraw/zinc/93/56/77/674935677.db2.gz AFIYUIGMHQOXQD-GUWHFVFCSA-N 0 3 329.400 2.378 20 5 EEBDHN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CCOCC1 ZINC001022856163 678653700 /nfs/dbraw/zinc/65/37/00/678653700.db2.gz XEAPVMVXRIYIPQ-GASCZTMLSA-N 0 3 347.415 2.148 20 5 EEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC000983010306 681651558 /nfs/dbraw/zinc/65/15/58/681651558.db2.gz YGQUWEMIVUFJTG-YEORSEQZSA-N 0 3 346.412 2.350 20 5 EEBDHN Cn1cccc1C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000983190546 681974427 /nfs/dbraw/zinc/97/44/27/681974427.db2.gz OHJWQDKYCDMPHI-AULYBMBSSA-N 0 3 348.428 2.293 20 5 EEBDHN C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000892742896 682979135 /nfs/dbraw/zinc/97/91/35/682979135.db2.gz ZBLZVWFQAOOKCS-AWEZNQCLSA-N 0 3 329.404 2.429 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985419698 686605382 /nfs/dbraw/zinc/60/53/82/686605382.db2.gz FSWCNRRPMMLKHU-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H](O)C1CCCC1)OCCO2 ZINC000865874291 1198410552 /nfs/dbraw/zinc/41/05/52/1198410552.db2.gz AZSLRXNHDSVFBD-HNNXBMFYSA-N 0 3 336.388 2.397 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC001134220014 1199403742 /nfs/dbraw/zinc/40/37/42/1199403742.db2.gz CJSJRPMZPABOKX-UHFFFAOYSA-N 0 3 341.367 2.049 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@](O)(c2ccccc2)C1 ZINC000879036758 1200820505 /nfs/dbraw/zinc/82/05/05/1200820505.db2.gz QIHWMZBMDGPQGK-QGZVFWFLSA-N 0 3 330.388 2.083 20 5 EEBDHN COc1cc2cc(C(=O)OCC(C)[N+](=O)[O-])[nH]c2c(OC)c1OC ZINC000813111133 1201122729 /nfs/dbraw/zinc/12/27/29/1201122729.db2.gz OGVFIKZZPUNRCB-QMMMGPOBSA-N 0 3 338.316 2.016 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095415470 1205709813 /nfs/dbraw/zinc/70/98/13/1205709813.db2.gz DWIBRNWFZLUAPF-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096043478 1233956765 /nfs/dbraw/zinc/95/67/65/1233956765.db2.gz FHBNSDKUSNVHDF-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN Cc1cc(N[C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001097190160 1243827166 /nfs/dbraw/zinc/82/71/66/1243827166.db2.gz KTRDCQCWAOKLPN-GASCZTMLSA-N 0 3 334.420 2.303 20 5 EEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CN2CCC[C@H]2CO1 ZINC000827497069 1248229659 /nfs/dbraw/zinc/22/96/59/1248229659.db2.gz SFQGZKNTNHVBBA-STQMWFEESA-N 0 3 328.372 2.418 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000856490029 1293546515 /nfs/dbraw/zinc/54/65/15/1293546515.db2.gz UEASUUBYWBBFNA-ZDUSSCGKSA-N 0 3 327.331 2.143 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229456812 1302791518 /nfs/dbraw/zinc/79/15/18/1302791518.db2.gz XPHLGAYKXRVNES-GUYCJALGSA-N 0 3 329.356 2.128 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)nc(-n2nc(C(F)(F)F)c3c2CCNC3)c1 ZINC001154848651 1317349596 /nfs/dbraw/zinc/34/95/96/1317349596.db2.gz YQHHWLSOTZQNKN-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(n3cnc4c3CNCC4)CC2)cc1 ZINC001254474376 1318082726 /nfs/dbraw/zinc/08/27/26/1318082726.db2.gz OMUKGPPMJKQDCN-UHFFFAOYSA-N 0 3 327.388 2.279 20 5 EEBDHN O=C1OCCCN1C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610273 1318143745 /nfs/dbraw/zinc/14/37/45/1318143745.db2.gz JBFWIPMEIJLQCJ-QGZVFWFLSA-N 0 3 345.399 2.369 20 5 EEBDHN Cc1ccc(-c2ccc(N[C@H](C)[C@@H]3CNCCO3)nn2)cc1[N+](=O)[O-] ZINC001159498364 1319838563 /nfs/dbraw/zinc/83/85/63/1319838563.db2.gz LBUFNZVWZFRDAA-WBMJQRKESA-N 0 3 343.387 2.149 20 5 EEBDHN CC(C)C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093199 1351839949 /nfs/dbraw/zinc/83/99/49/1351839949.db2.gz SXWKTPDRYWTXBS-LLVKDONJSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093199 1351839953 /nfs/dbraw/zinc/83/99/53/1351839953.db2.gz SXWKTPDRYWTXBS-LLVKDONJSA-N 0 3 333.396 2.163 20 5 EEBDHN COc1ccccc1COC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001336702835 1336583165 /nfs/dbraw/zinc/58/31/65/1336583165.db2.gz GQUBIBGIJHFBLO-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1F ZINC001580393900 1344516907 /nfs/dbraw/zinc/51/69/07/1344516907.db2.gz FNBFMQFJYHPQAG-GHMZBOCLSA-N 0 3 335.257 2.125 20 5 EEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2CN1 ZINC001580493957 1344526430 /nfs/dbraw/zinc/52/64/30/1344526430.db2.gz ONMLLAQHIFCUHS-JEJOPICUSA-N 0 3 337.379 2.439 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589714975 1349023471 /nfs/dbraw/zinc/02/34/71/1349023471.db2.gz OVLXQUYJGDCWFX-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589714975 1349023476 /nfs/dbraw/zinc/02/34/76/1349023476.db2.gz OVLXQUYJGDCWFX-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589714975 1349023479 /nfs/dbraw/zinc/02/34/79/1349023479.db2.gz OVLXQUYJGDCWFX-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589714975 1349023484 /nfs/dbraw/zinc/02/34/84/1349023484.db2.gz OVLXQUYJGDCWFX-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[NH+](CC)CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604285215 1350909352 /nfs/dbraw/zinc/90/93/52/1350909352.db2.gz NBWABUCWLLVKTG-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CC[NH+](CC)CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604285215 1350909355 /nfs/dbraw/zinc/90/93/55/1350909355.db2.gz NBWABUCWLLVKTG-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN O=C(c1cn[nH]c1)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997570097 790306171 /nfs/dbraw/zinc/30/61/71/790306171.db2.gz FYVBHEFFSKZTDJ-UHFFFAOYSA-N 0 3 349.416 2.021 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180103884 774510896 /nfs/dbraw/zinc/51/08/96/774510896.db2.gz WWFJWIATAWXNTQ-UHFFFAOYSA-N 0 3 347.412 2.053 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818980788 785349649 /nfs/dbraw/zinc/34/96/49/785349649.db2.gz OAANTZOVDYUHDG-AWEZNQCLSA-N 0 3 347.327 2.033 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000923295807 789327817 /nfs/dbraw/zinc/32/78/17/789327817.db2.gz HYUTUSAKSWIDIG-GOEBONIOSA-N 0 3 342.399 2.245 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845669926 789915943 /nfs/dbraw/zinc/91/59/43/789915943.db2.gz XMLWSVOCFMEDIL-ZDUSSCGKSA-N 0 3 344.371 2.422 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001150158421 797313759 /nfs/dbraw/zinc/31/37/59/797313759.db2.gz NPQVJZJNLSONHK-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc2occc2[nH]1 ZINC001128491069 800758953 /nfs/dbraw/zinc/75/89/53/800758953.db2.gz MKKBWLSVZMBLDV-UHFFFAOYSA-N 0 3 328.328 2.189 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504352 807554772 /nfs/dbraw/zinc/55/47/72/807554772.db2.gz CJRFWQUAOWPHEW-OCCSQVGLSA-N 0 3 331.372 2.268 20 5 EEBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCN1CCCC1 ZINC000791123769 809064600 /nfs/dbraw/zinc/06/46/00/809064600.db2.gz JRHWBICJJRYONP-UHFFFAOYSA-N 0 3 329.759 2.142 20 5 EEBDHN COc1ccc(C[C@H](C)N[C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329234 809893979 /nfs/dbraw/zinc/89/39/79/809893979.db2.gz YBHZRMSMMWFOAD-LRDDRELGSA-N 0 3 331.372 2.253 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592684 243169541 /nfs/dbraw/zinc/16/95/41/243169541.db2.gz AFHMDVKOPCNKPG-KSSFIOAISA-N 0 3 347.415 2.228 20 5 EEBDHN CC1CCN(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266636533 248392056 /nfs/dbraw/zinc/39/20/56/248392056.db2.gz ZUPVLSIHILJOAX-UHFFFAOYSA-N 0 3 334.420 2.168 20 5 EEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C)C1 ZINC000153748290 224152024 /nfs/dbraw/zinc/15/20/24/224152024.db2.gz IPPPFSSAHWCULO-CYBMUJFWSA-N 0 3 325.796 2.343 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000268033930 256106581 /nfs/dbraw/zinc/10/65/81/256106581.db2.gz MEEOSLVKEIMADJ-MRXNPFEDSA-N 0 3 337.445 2.081 20 5 EEBDHN COC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000271210974 256220125 /nfs/dbraw/zinc/22/01/25/256220125.db2.gz YAVOLHQJSBKRSZ-CYBMUJFWSA-N 0 3 330.388 2.464 20 5 EEBDHN Cn1ccnc1[C@@H]1OCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000343380242 161130370 /nfs/dbraw/zinc/13/03/70/161130370.db2.gz ASLFWHFAIKLBJJ-SBURYJAWSA-N 0 3 328.372 2.461 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344705575 161237670 /nfs/dbraw/zinc/23/76/70/161237670.db2.gz KWDLIVVFQJBQKB-OAHLLOKOSA-N 0 3 335.404 2.454 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000344750426 161242874 /nfs/dbraw/zinc/24/28/74/161242874.db2.gz VHQZPHJMDXNUFA-STQMWFEESA-N 0 3 343.836 2.366 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000360012153 164215933 /nfs/dbraw/zinc/21/59/33/164215933.db2.gz RWXKTPFMYISDKC-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369672330 166311070 /nfs/dbraw/zinc/31/10/70/166311070.db2.gz ZDVNSDLZDADRKD-OKILXGFUSA-N 0 3 349.435 2.218 20 5 EEBDHN Cc1ccc([C@@]2(C)CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028245 166380395 /nfs/dbraw/zinc/38/03/95/166380395.db2.gz CJUPNDZJLRLKRE-MSOLQXFVSA-N 0 3 344.415 2.124 20 5 EEBDHN O=C1[C@H](N2CC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412644 167038094 /nfs/dbraw/zinc/03/80/94/167038094.db2.gz VFHUZHVSAMDVQM-JJRVBVJISA-N 0 3 345.399 2.059 20 5 EEBDHN CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000342707288 274183940 /nfs/dbraw/zinc/18/39/40/274183940.db2.gz YMOWRJQUNDEOIL-NXEZZACHSA-N 0 3 339.446 2.081 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000275429764 274247926 /nfs/dbraw/zinc/24/79/26/274247926.db2.gz VFCBFJMRNXLBRR-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000107601127 275011259 /nfs/dbraw/zinc/01/12/59/275011259.db2.gz PJIYVMDGVSTHAB-CYBMUJFWSA-N 0 3 348.359 2.203 20 5 EEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCOC)CCN(C)C ZINC000289888359 275158638 /nfs/dbraw/zinc/15/86/38/275158638.db2.gz SUIWWHPXHTVXCD-UHFFFAOYSA-N 0 3 338.408 2.199 20 5 EEBDHN CCN1CCC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291469258 275308410 /nfs/dbraw/zinc/30/84/10/275308410.db2.gz BXIJBLVGDDLFSX-AWEZNQCLSA-N 0 3 332.404 2.383 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCC(F)(F)F ZINC000292899795 293072444 /nfs/dbraw/zinc/07/24/44/293072444.db2.gz JZGPRXOGQBIDQX-CYBMUJFWSA-N 0 3 336.310 2.009 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293584183 293244791 /nfs/dbraw/zinc/24/47/91/293244791.db2.gz ANCKSMUKWRGCEI-INIZCTEOSA-N 0 3 337.807 2.345 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000294252358 293407268 /nfs/dbraw/zinc/40/72/68/293407268.db2.gz YBOHEIAQTPHXGX-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000296078955 293886888 /nfs/dbraw/zinc/88/68/88/293886888.db2.gz SHWLMNJRQJZAML-CYBMUJFWSA-N 0 3 348.403 2.472 20 5 EEBDHN COc1cccc(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000192456162 295288084 /nfs/dbraw/zinc/28/80/84/295288084.db2.gz DWKAJRZOCQOMPV-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000332488978 312014954 /nfs/dbraw/zinc/01/49/54/312014954.db2.gz ODHCXERDXVXJES-HOCLYGCPSA-N 0 3 346.431 2.400 20 5 EEBDHN Cc1ccc(NCC2(N3CCOCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000413477807 312869282 /nfs/dbraw/zinc/86/92/82/312869282.db2.gz HKMFYDLIDNJRQV-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420993664 314017386 /nfs/dbraw/zinc/01/73/86/314017386.db2.gz MAYZZZNWERNPLQ-UONOGXRCSA-N 0 3 340.330 2.138 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000422027677 314171659 /nfs/dbraw/zinc/17/16/59/314171659.db2.gz VSLLHQHIEYHGJD-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440073476 315110733 /nfs/dbraw/zinc/11/07/33/315110733.db2.gz DXCASQYRKLIWKJ-GFCCVEGCSA-N 0 3 343.449 2.220 20 5 EEBDHN Cc1nn(CCC(=O)Nc2cccc3c2CCNC3)c(C)c1[N+](=O)[O-] ZINC000519597352 316796264 /nfs/dbraw/zinc/79/62/64/316796264.db2.gz UHPRGRJLBWQSTC-UHFFFAOYSA-N 0 3 343.387 2.083 20 5 EEBDHN CN1CCC2(CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535810211 317983374 /nfs/dbraw/zinc/98/33/74/317983374.db2.gz RLNVCWTYQWCUMI-UHFFFAOYSA-N 0 3 332.404 2.365 20 5 EEBDHN COc1cc(C)ccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575862166 320119997 /nfs/dbraw/zinc/11/99/97/320119997.db2.gz VVPRAVNSHKIOHQ-MRXNPFEDSA-N 0 3 346.383 2.441 20 5 EEBDHN CCSc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581544338 324275884 /nfs/dbraw/zinc/27/58/84/324275884.db2.gz ZCIMMFQTSXOIGQ-AWEZNQCLSA-N 0 3 336.417 2.054 20 5 EEBDHN CC[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(CC)CC ZINC000347461598 465035696 /nfs/dbraw/zinc/03/56/96/465035696.db2.gz GIUCYLNOIAZLEP-MRXNPFEDSA-N 0 3 335.404 2.305 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285804 465143102 /nfs/dbraw/zinc/14/31/02/465143102.db2.gz ZECZOMGRUAWERA-KNXALSJPSA-N 0 3 335.404 2.207 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358484123 465152414 /nfs/dbraw/zinc/15/24/14/465152414.db2.gz YBNCJERHYKFUEM-UHFFFAOYSA-N 0 3 325.384 2.323 20 5 EEBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000590689598 468306907 /nfs/dbraw/zinc/30/69/07/468306907.db2.gz CBHDFUBPUQJRAJ-CQSZACIVSA-N 0 3 333.388 2.207 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000114244447 462634648 /nfs/dbraw/zinc/63/46/48/462634648.db2.gz OHJWGKFSQFJHEO-ZDUSSCGKSA-N 0 3 335.404 2.484 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726804 462666614 /nfs/dbraw/zinc/66/66/14/462666614.db2.gz DXVFIQGOCFAREU-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN NC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129202 462688115 /nfs/dbraw/zinc/68/81/15/462688115.db2.gz QITSRYBGJHFCEW-UHFFFAOYSA-N 0 3 346.431 2.396 20 5 EEBDHN CCCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015427 462766993 /nfs/dbraw/zinc/76/69/93/462766993.db2.gz YMJWYGAOGOHKPV-GFCCVEGCSA-N 0 3 329.422 2.041 20 5 EEBDHN CCOC(=O)c1ccnc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000133259754 462912562 /nfs/dbraw/zinc/91/25/62/462912562.db2.gz JYTPGTIESIBDRW-UHFFFAOYSA-N 0 3 334.376 2.205 20 5 EEBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCN(C)C)CC1 ZINC000120335413 462989300 /nfs/dbraw/zinc/98/93/00/462989300.db2.gz JAZRWDOKNLEXKK-UHFFFAOYSA-N 0 3 334.420 2.123 20 5 EEBDHN CN(CCC1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120611631 463019082 /nfs/dbraw/zinc/01/90/82/463019082.db2.gz XHGZIJGLNRHMGO-QGZVFWFLSA-N 0 3 347.415 2.449 20 5 EEBDHN COc1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712117 463169028 /nfs/dbraw/zinc/16/90/28/463169028.db2.gz FUHUAAOCLMQNHI-MRXNPFEDSA-N 0 3 346.383 2.475 20 5 EEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053749838 463187455 /nfs/dbraw/zinc/18/74/55/463187455.db2.gz NWJDTAADTTYYAA-OCCSQVGLSA-N 0 3 328.372 2.488 20 5 EEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150287444 463412402 /nfs/dbraw/zinc/41/24/02/463412402.db2.gz SJXWWQIPYYBRFC-JTQLQIEISA-N 0 3 335.813 2.044 20 5 EEBDHN CC[C@H](C)[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380101 463700588 /nfs/dbraw/zinc/70/05/88/463700588.db2.gz QUTFMAJMVYOSRK-MEDUHNTESA-N 0 3 326.393 2.499 20 5 EEBDHN Cc1nc([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268466696 463754597 /nfs/dbraw/zinc/75/45/97/463754597.db2.gz LUWMTEZYLPWERK-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268466696 463754600 /nfs/dbraw/zinc/75/46/00/463754600.db2.gz LUWMTEZYLPWERK-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN Cc1nnc([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268466696 463754603 /nfs/dbraw/zinc/75/46/03/463754603.db2.gz LUWMTEZYLPWERK-CYBMUJFWSA-N 0 3 331.376 2.280 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000171265023 463830707 /nfs/dbraw/zinc/83/07/07/463830707.db2.gz AGKKRPXZQDQJEM-AVGNSLFASA-N 0 3 335.404 2.481 20 5 EEBDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186717579 464055860 /nfs/dbraw/zinc/05/58/60/464055860.db2.gz IUZXVABBJSGHQK-KHIZAZIESA-N 0 3 335.404 2.305 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262593 464082638 /nfs/dbraw/zinc/08/26/38/464082638.db2.gz MKBMXIYQONJGBT-BMFZPTHFSA-N 0 3 345.399 2.131 20 5 EEBDHN Cc1ccc(N2CCC(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000269978862 464146541 /nfs/dbraw/zinc/14/65/41/464146541.db2.gz ZUVHNPRZUMLUAS-UHFFFAOYSA-N 0 3 332.448 2.367 20 5 EEBDHN CNC(=O)c1ccc(N2CCN(C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292429708 464230424 /nfs/dbraw/zinc/23/04/24/464230424.db2.gz XDBINBNIKWFCKX-ZDUSSCGKSA-N 0 3 346.431 2.265 20 5 EEBDHN Cc1nn(CCC(=O)Nc2ccc(CN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000263989349 464263455 /nfs/dbraw/zinc/26/34/55/464263455.db2.gz NIQAERMOQSZBMU-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN CCC[C@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224293 464268171 /nfs/dbraw/zinc/26/81/71/464268171.db2.gz VTWNFXUIWKCSSR-AWEZNQCLSA-N 0 3 331.376 2.179 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281029102 464306732 /nfs/dbraw/zinc/30/67/32/464306732.db2.gz NAGSFKOXDBZSHZ-CYBMUJFWSA-N 0 3 333.388 2.049 20 5 EEBDHN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237661385 464359174 /nfs/dbraw/zinc/35/91/74/464359174.db2.gz JEEFNIFGFNRJHD-OLZOCXBDSA-N 0 3 332.404 2.017 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264586832 464383945 /nfs/dbraw/zinc/38/39/45/464383945.db2.gz KWQWVLBMHDJMNX-OAHLLOKOSA-N 0 3 346.431 2.361 20 5 EEBDHN CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000294581236 464543179 /nfs/dbraw/zinc/54/31/79/464543179.db2.gz WKRBLOLWTMABBC-ZDUSSCGKSA-N 0 3 349.416 2.073 20 5 EEBDHN CCN1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272397214 464592074 /nfs/dbraw/zinc/59/20/74/464592074.db2.gz AGDOGFBEKNCSST-UHFFFAOYSA-N 0 3 327.331 2.287 20 5 EEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621870 464695771 /nfs/dbraw/zinc/69/57/71/464695771.db2.gz DJMSVMFYYVQMMT-BXUZGUMPSA-N 0 3 330.344 2.249 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936147 464739992 /nfs/dbraw/zinc/73/99/92/464739992.db2.gz FAQUPTMWRLQFMO-BSLXNSKLSA-N 0 3 333.388 2.325 20 5 EEBDHN C[C@@H]1CN(CCN(C)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192449913 464926852 /nfs/dbraw/zinc/92/68/52/464926852.db2.gz FGIQNDSXQOJFTP-GASCZTMLSA-N 0 3 337.420 2.015 20 5 EEBDHN CC[C@H](NCC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282828746 464965281 /nfs/dbraw/zinc/96/52/81/464965281.db2.gz SDUDRGBHPJZLSZ-INIZCTEOSA-N 0 3 338.404 2.194 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261470 464996801 /nfs/dbraw/zinc/99/68/01/464996801.db2.gz ZIGPOUILBKPTBQ-MEDUHNTESA-N 0 3 344.415 2.382 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273686 465002491 /nfs/dbraw/zinc/00/24/91/465002491.db2.gz VTZLOWZWIKBUAL-MLGOLLRUSA-N 0 3 331.416 2.471 20 5 EEBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358847227 465355704 /nfs/dbraw/zinc/35/57/04/465355704.db2.gz FQUPUBBHJYPZRH-CQSZACIVSA-N 0 3 328.372 2.317 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000337501108 465401211 /nfs/dbraw/zinc/40/12/11/465401211.db2.gz BIAFZOSRCYNALT-UHFFFAOYSA-N 0 3 332.360 2.126 20 5 EEBDHN COc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759055 465494013 /nfs/dbraw/zinc/49/40/13/465494013.db2.gz PLVUDGZBJGIECW-IRXDYDNUSA-N 0 3 336.388 2.013 20 5 EEBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000343807027 465557109 /nfs/dbraw/zinc/55/71/09/465557109.db2.gz NXLGFYZKQYDGIQ-CYBMUJFWSA-N 0 3 330.388 2.931 20 5 EEBDHN CN1CCC2(CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371360925 465742454 /nfs/dbraw/zinc/74/24/54/465742454.db2.gz LORWNUOULQPASA-UHFFFAOYSA-N 0 3 333.388 2.060 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1CN1CCCC1 ZINC000299536877 465790585 /nfs/dbraw/zinc/79/05/85/465790585.db2.gz ODSPSMMXHUOWBK-CYBMUJFWSA-N 0 3 343.387 2.172 20 5 EEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699427 465951099 /nfs/dbraw/zinc/95/10/99/465951099.db2.gz OWVNLZAQFLQLRE-JLJPHGGASA-N 0 3 338.404 2.374 20 5 EEBDHN COCc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569266827 468466514 /nfs/dbraw/zinc/46/65/14/468466514.db2.gz MGWORERTAKOKGZ-MRXNPFEDSA-N 0 3 346.383 2.271 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N(C)C ZINC000331614036 466163011 /nfs/dbraw/zinc/16/30/11/466163011.db2.gz PMFLZYQQGSLDPH-LSDHHAIUSA-N 0 3 348.428 2.194 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccccc3)CC2)c1 ZINC000304267353 466271842 /nfs/dbraw/zinc/27/18/42/466271842.db2.gz BAKFWJALVTYLQZ-KRWDZBQOSA-N 0 3 330.388 2.032 20 5 EEBDHN Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340919561 466434669 /nfs/dbraw/zinc/43/46/69/466434669.db2.gz SFYULJNVWLKGOY-LBPRGKRZSA-N 0 3 349.412 2.110 20 5 EEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000341002632 466504744 /nfs/dbraw/zinc/50/47/44/466504744.db2.gz ODBBZSUEZQWXBU-AWEZNQCLSA-N 0 3 332.404 2.140 20 5 EEBDHN CCC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318536 466558988 /nfs/dbraw/zinc/55/89/88/466558988.db2.gz UBVKJBOEYQBUSO-IUODEOHRSA-N 0 3 326.418 2.460 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354432891 466563873 /nfs/dbraw/zinc/56/38/73/466563873.db2.gz CGFYQFXNVTZURQ-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CCOc1cccc(N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000364943301 466724296 /nfs/dbraw/zinc/72/42/96/466724296.db2.gz KYHPVRPDJYPDEE-HNNXBMFYSA-N 0 3 348.447 2.210 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000365601879 466878074 /nfs/dbraw/zinc/87/80/74/466878074.db2.gz QZOSVXNRDFGWNJ-DOTOQJQBSA-N 0 3 337.395 2.467 20 5 EEBDHN CN(C)[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448749927 467600010 /nfs/dbraw/zinc/60/00/10/467600010.db2.gz OZAOETMSIPHIPS-OAHLLOKOSA-N 0 3 333.388 2.014 20 5 EEBDHN COC(=O)Cc1ccc(NCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000450257202 467810774 /nfs/dbraw/zinc/81/07/74/467810774.db2.gz KGJQMANDGZPMQB-UHFFFAOYSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CN1C ZINC000450542493 467867208 /nfs/dbraw/zinc/86/72/08/467867208.db2.gz UMJXZZJAHJTTOA-NEPJUHHUSA-N 0 3 343.387 2.150 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@]1(C)CCO[C@H]1C ZINC000494230436 468038961 /nfs/dbraw/zinc/03/89/61/468038961.db2.gz KFSFMXGLIHTSGP-MMPTUQATSA-N 0 3 337.376 2.088 20 5 EEBDHN COc1cc(C)cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578740622 468247436 /nfs/dbraw/zinc/24/74/36/468247436.db2.gz PLDYYLXRBCXULX-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN CN(C)c1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728915 468511629 /nfs/dbraw/zinc/51/16/29/468511629.db2.gz YRMSXZBWSVRFDR-INIZCTEOSA-N 0 3 345.399 2.190 20 5 EEBDHN CNc1nccc(C(=O)Nc2cc(CN(C)C)ccc2C)c1[N+](=O)[O-] ZINC000569939182 468567584 /nfs/dbraw/zinc/56/75/84/468567584.db2.gz LDTVTSYYGQBLLN-UHFFFAOYSA-N 0 3 343.387 2.654 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597606529 468614760 /nfs/dbraw/zinc/61/47/60/468614760.db2.gz WQRQXGAPAFCBML-AWEZNQCLSA-N 0 3 335.404 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000592446729 468700014 /nfs/dbraw/zinc/70/00/14/468700014.db2.gz RSDIHMVHNWSSTI-HNNXBMFYSA-N 0 3 346.383 2.475 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595588173 468913529 /nfs/dbraw/zinc/91/35/29/468913529.db2.gz MIYFCAOIHRBHGD-MRXNPFEDSA-N 0 3 338.379 2.391 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN(CCO)C3CCSCC3)nc2c1 ZINC000602680195 469007421 /nfs/dbraw/zinc/00/74/21/469007421.db2.gz JXIFRDJUSFAMJT-UHFFFAOYSA-N 0 3 337.401 2.426 20 5 EEBDHN COc1cccnc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602680757 469008159 /nfs/dbraw/zinc/00/81/59/469008159.db2.gz GSFOHKDPPGKUSE-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784848 469009226 /nfs/dbraw/zinc/00/92/26/469009226.db2.gz BXXRTSBYHSTRGP-HOCLYGCPSA-N 0 3 335.404 2.038 20 5 EEBDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000601851622 469058106 /nfs/dbraw/zinc/05/81/06/469058106.db2.gz ULZVHGCMGFEHSX-CQSZACIVSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)c1 ZINC000601851622 469058115 /nfs/dbraw/zinc/05/81/15/469058115.db2.gz ULZVHGCMGFEHSX-CQSZACIVSA-N 0 3 328.372 2.236 20 5 EEBDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)c1 ZINC000601851622 469058121 /nfs/dbraw/zinc/05/81/21/469058121.db2.gz ULZVHGCMGFEHSX-CQSZACIVSA-N 0 3 328.372 2.236 20 5 EEBDHN CC[C@@H](CO)N(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602805273 469087743 /nfs/dbraw/zinc/08/77/43/469087743.db2.gz NUMCKXDNUHPRDB-INIZCTEOSA-N 0 3 332.404 2.373 20 5 EEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc2c1CCNC2 ZINC000595935521 469090489 /nfs/dbraw/zinc/09/04/89/469090489.db2.gz FCORTGCKJGMNRB-UHFFFAOYSA-N 0 3 341.367 2.049 20 5 EEBDHN Cc1ncc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969436 469118323 /nfs/dbraw/zinc/11/83/23/469118323.db2.gz RBSHZDXGMRQFBT-GXFFZTMASA-N 0 3 337.401 2.450 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1Cc2ccccc2N(C)C[C@@H]1C ZINC000602911518 469159471 /nfs/dbraw/zinc/15/94/71/469159471.db2.gz DRPRLCJTCNVKCP-ZDUSSCGKSA-N 0 3 329.404 2.440 20 5 EEBDHN O=c1[n-]ccc(NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000596133897 469170861 /nfs/dbraw/zinc/17/08/61/469170861.db2.gz GQGRKTBKEOUKAX-UHFFFAOYSA-N 0 3 336.392 2.142 20 5 EEBDHN O=C(CNC1(CO)CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611462851 469254672 /nfs/dbraw/zinc/25/46/72/469254672.db2.gz FVAOQKFEKRAMRQ-UHFFFAOYSA-N 0 3 341.795 2.472 20 5 EEBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596471479 469277811 /nfs/dbraw/zinc/27/78/11/469277811.db2.gz UJOUZLTXLIOQHN-HNNXBMFYSA-N 0 3 342.399 2.312 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596638006 469317922 /nfs/dbraw/zinc/31/79/22/469317922.db2.gz RCPPUIKWTZHFFR-OAHLLOKOSA-N 0 3 348.403 2.278 20 5 EEBDHN COCCN1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444462 469468306 /nfs/dbraw/zinc/46/83/06/469468306.db2.gz YLNGJLDYPQMWJJ-GFCCVEGCSA-N 0 3 331.376 2.061 20 5 EEBDHN COC(=O)C[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619717209 469669099 /nfs/dbraw/zinc/66/90/99/469669099.db2.gz JYFUCEZVNHMLON-CYBMUJFWSA-N 0 3 349.387 2.341 20 5 EEBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766683 469960199 /nfs/dbraw/zinc/96/01/99/469960199.db2.gz CZPOKOVMVSXQNN-UHFFFAOYSA-N 0 3 349.387 2.394 20 5 EEBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000749691607 577980078 /nfs/dbraw/zinc/98/00/78/577980078.db2.gz QDWZIRSZWRHEMI-HNNXBMFYSA-N 0 3 347.327 2.335 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581851 606474612 /nfs/dbraw/zinc/47/46/12/606474612.db2.gz WFHDHMJNLGTKBL-GHMZBOCLSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581851 606474613 /nfs/dbraw/zinc/47/46/13/606474613.db2.gz WFHDHMJNLGTKBL-GHMZBOCLSA-N 0 3 331.380 2.060 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000894395293 682801949 /nfs/dbraw/zinc/80/19/49/682801949.db2.gz CNVRHWBNYQHTJI-HZPDHXFCSA-N 0 3 332.404 2.281 20 5 EEBDHN O=C(Cc1ccncc1Cl)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133853876 1199110507 /nfs/dbraw/zinc/11/05/07/1199110507.db2.gz RTPVRNQYKZMSJU-UHFFFAOYSA-N 0 3 348.790 2.092 20 5 EEBDHN Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877347358 1199910337 /nfs/dbraw/zinc/91/03/37/1199910337.db2.gz VBFBYZZYMJUUEH-MRXNPFEDSA-N 0 3 325.368 2.348 20 5 EEBDHN CCn1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001132728299 1199959356 /nfs/dbraw/zinc/95/93/56/1199959356.db2.gz PXKWJENQVILWNK-UHFFFAOYSA-N 0 3 330.388 2.244 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CCC1 ZINC001132801986 1200038349 /nfs/dbraw/zinc/03/83/49/1200038349.db2.gz PJRBMJXLJASNRI-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN CCCCCn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813099719 1201096110 /nfs/dbraw/zinc/09/61/10/1201096110.db2.gz BDPIEUVBEDNQJK-LBPRGKRZSA-N 0 3 347.371 2.409 20 5 EEBDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102282 1201097667 /nfs/dbraw/zinc/09/76/67/1201097667.db2.gz DEGAVYBJEQCBPP-NXEZZACHSA-N 0 3 326.374 2.334 20 5 EEBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000813109902 1201121956 /nfs/dbraw/zinc/12/19/56/1201121956.db2.gz QFJOUWNUBZKVPC-NOZJJQNGSA-N 0 3 328.752 2.116 20 5 EEBDHN Cc1cc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)ccc1F ZINC000813114370 1201124751 /nfs/dbraw/zinc/12/47/51/1201124751.db2.gz AIUYMOMDKCREFO-JTQLQIEISA-N 0 3 337.307 2.325 20 5 EEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[N+](=O)[O-] ZINC000813115639 1201126055 /nfs/dbraw/zinc/12/60/55/1201126055.db2.gz WULHPQOBTOHAQM-IUCAKERBSA-N 0 3 344.726 2.040 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)Cc1cccnc1 ZINC000934231951 1207927907 /nfs/dbraw/zinc/92/79/07/1207927907.db2.gz BBBQXTABKZMFKU-ZDUSSCGKSA-N 0 3 328.372 2.458 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000078231734 1210118118 /nfs/dbraw/zinc/11/81/18/1210118118.db2.gz CFFCAGFLMFPEAR-NSHDSACASA-N 0 3 336.348 2.026 20 5 EEBDHN CCN(CCCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095891315 1215161029 /nfs/dbraw/zinc/16/10/29/1215161029.db2.gz XNTWAZMEQINJOQ-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN COC(=O)C1=C(C)O[C@@H](CN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000796112279 1215307128 /nfs/dbraw/zinc/30/71/28/1215307128.db2.gz IXWRQQRTXHZVFV-CQSZACIVSA-N 0 3 334.372 2.305 20 5 EEBDHN Cc1ccc(N[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001097037295 1243603840 /nfs/dbraw/zinc/60/38/40/1243603840.db2.gz LJAACCJNLOIWPG-HDJSIYSDSA-N 0 3 334.420 2.303 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097054455 1243632936 /nfs/dbraw/zinc/63/29/36/1243632936.db2.gz XFONENQDPAQYCV-HDJSIYSDSA-N 0 3 334.420 2.304 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097078072 1243673620 /nfs/dbraw/zinc/67/36/20/1243673620.db2.gz IAQJFFKHFQGUTP-JOCQHMNTSA-N 0 3 349.435 2.088 20 5 EEBDHN CCN(CC)CC(=O)NCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC001101350266 1245698868 /nfs/dbraw/zinc/69/88/68/1245698868.db2.gz FBPULCRBWBKFEC-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN COC(=O)c1cc(O[C@@H]2CCN(C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226439978 1301413958 /nfs/dbraw/zinc/41/39/58/1301413958.db2.gz RLHYRVXJARXQKH-LLVKDONJSA-N 0 3 338.360 2.252 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000843090748 1315839416 /nfs/dbraw/zinc/83/94/16/1315839416.db2.gz WHQHRTHMQUDAQM-HUUCEWRRSA-N 0 3 338.310 2.230 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000843090743 1315839579 /nfs/dbraw/zinc/83/95/79/1315839579.db2.gz WHQHRTHMQUDAQM-CABCVRRESA-N 0 3 338.310 2.230 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)cnc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154848018 1317349572 /nfs/dbraw/zinc/34/95/72/1317349572.db2.gz QMCSHFYOTMIRHH-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN CC(C)[NH+](CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)C ZINC001609098488 1351842641 /nfs/dbraw/zinc/84/26/41/1351842641.db2.gz POBSZAHULVIZLR-UHFFFAOYSA-N 0 3 333.396 2.306 20 5 EEBDHN CC(C)[NH+](CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)C ZINC001609098488 1351842643 /nfs/dbraw/zinc/84/26/43/1351842643.db2.gz POBSZAHULVIZLR-UHFFFAOYSA-N 0 3 333.396 2.306 20 5 EEBDHN CN1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC001337168710 1336656287 /nfs/dbraw/zinc/65/62/87/1336656287.db2.gz CGZCIENELCQYKD-UHFFFAOYSA-N 0 3 329.404 2.442 20 5 EEBDHN CC(C)(C)C[N@H+](CCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589128484 1348963405 /nfs/dbraw/zinc/96/34/05/1348963405.db2.gz CKRIZHISSJTEFV-UHFFFAOYSA-N 0 3 348.407 2.005 20 5 EEBDHN CC(C)(C)C[N@@H+](CCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589128484 1348963406 /nfs/dbraw/zinc/96/34/06/1348963406.db2.gz CKRIZHISSJTEFV-UHFFFAOYSA-N 0 3 348.407 2.005 20 5 EEBDHN CC(C)(C)C[N@H+](CCCO)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589128484 1348963412 /nfs/dbraw/zinc/96/34/12/1348963412.db2.gz CKRIZHISSJTEFV-UHFFFAOYSA-N 0 3 348.407 2.005 20 5 EEBDHN CC(C)(C)C[N@@H+](CCCO)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589128484 1348963419 /nfs/dbraw/zinc/96/34/19/1348963419.db2.gz CKRIZHISSJTEFV-UHFFFAOYSA-N 0 3 348.407 2.005 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC001593481754 1349813041 /nfs/dbraw/zinc/81/30/41/1349813041.db2.gz KDMQIJUMBHQZKZ-MGULZYLOSA-N 0 3 328.376 2.443 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC001593481754 1349813044 /nfs/dbraw/zinc/81/30/44/1349813044.db2.gz KDMQIJUMBHQZKZ-MGULZYLOSA-N 0 3 328.376 2.443 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063340 1350843991 /nfs/dbraw/zinc/84/39/91/1350843991.db2.gz YDYQGLQHBFCQPN-UKRRQHHQSA-N 0 3 346.391 2.212 20 5 EEBDHN CC[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063340 1350843997 /nfs/dbraw/zinc/84/39/97/1350843997.db2.gz YDYQGLQHBFCQPN-UKRRQHHQSA-N 0 3 346.391 2.212 20 5 EEBDHN CC[NH+](CC)CC[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604284665 1350909078 /nfs/dbraw/zinc/90/90/78/1350909078.db2.gz FMHPUSLDFKDFSL-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CC[NH+](CC)CC[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604284665 1350909079 /nfs/dbraw/zinc/90/90/79/1350909079.db2.gz FMHPUSLDFKDFSL-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN C[NH+](C)C1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001604681497 1350983654 /nfs/dbraw/zinc/98/36/54/1350983654.db2.gz ZZNLOWFWPOVZTL-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)C1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001604681497 1350983657 /nfs/dbraw/zinc/98/36/57/1350983657.db2.gz ZZNLOWFWPOVZTL-UHFFFAOYSA-N 0 3 331.380 2.060 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564281 1368036832 /nfs/dbraw/zinc/03/68/32/1368036832.db2.gz DUTMFPJRVHDJGQ-RISCZKNCSA-N 0 3 349.362 2.407 20 5 EEBDHN CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001121720008 1371919076 /nfs/dbraw/zinc/91/90/76/1371919076.db2.gz LECVGLQLQHLCLC-VXGBXAGGSA-N 0 3 347.423 2.120 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N[C@H](CO)CN3CCCCC3)sc2c1 ZINC000828167011 1372239144 /nfs/dbraw/zinc/23/91/44/1372239144.db2.gz PACULEKHZYLQAO-NSHDSACASA-N 0 3 336.417 2.463 20 5 EEBDHN CN(C)C1(C(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CCC1 ZINC001107379902 787071227 /nfs/dbraw/zinc/07/12/27/787071227.db2.gz OSCVKDOVDLTMAJ-AATRIKPKSA-N 0 3 332.404 2.163 20 5 EEBDHN CCn1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845881593 789973932 /nfs/dbraw/zinc/97/39/32/789973932.db2.gz LRUKSYKYHYZJQA-IINYFYTJSA-N 0 3 336.323 2.309 20 5 EEBDHN CC(C)(C)c1n[nH]cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147328449 791786833 /nfs/dbraw/zinc/78/68/33/791786833.db2.gz UMVTYBOSLCOVLF-UHFFFAOYSA-N 0 3 345.403 2.135 20 5 EEBDHN Cn1cccc1C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086311330 802715131 /nfs/dbraw/zinc/71/51/31/802715131.db2.gz CRDJWBFYBSIRKS-CTYIDZIISA-N 0 3 342.399 2.232 20 5 EEBDHN COC(=O)c1ccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036412 803579915 /nfs/dbraw/zinc/57/99/15/803579915.db2.gz FTUDDXFVSDUFDZ-YOEHRIQHSA-N 0 3 347.415 2.041 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC001169169156 803647969 /nfs/dbraw/zinc/64/79/69/803647969.db2.gz NPEJTUXJZPFYIY-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN CCOC(=O)C1=C(Nc2ccc3cnccc3c2[N+](=O)[O-])CCNC1 ZINC001170517985 812093560 /nfs/dbraw/zinc/09/35/60/812093560.db2.gz WWOKWZCFQXLWPW-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccnc(C2CC2)c1 ZINC001130877398 812141937 /nfs/dbraw/zinc/14/19/37/812141937.db2.gz PWCWHZHVSDTWEA-UHFFFAOYSA-N 0 3 340.383 2.387 20 5 EEBDHN CC(C)(C)c1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000808218925 812522639 /nfs/dbraw/zinc/52/26/39/812522639.db2.gz KTGKMSNPVMYLIK-CQSZACIVSA-N 0 3 349.431 2.079 20 5 EEBDHN CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000183754336 529394467 /nfs/dbraw/zinc/39/44/67/529394467.db2.gz LRIJTTRNBDBDEM-QGZVFWFLSA-N 0 3 343.431 2.388 20 5 EEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000072603294 216281316 /nfs/dbraw/zinc/28/13/16/216281316.db2.gz AMQQDHWNBQDAAE-CQSZACIVSA-N 0 3 338.795 2.331 20 5 EEBDHN CCOC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072977436 216336804 /nfs/dbraw/zinc/33/68/04/216336804.db2.gz KTRSJOJTOXETPT-HOCLYGCPSA-N 0 3 338.404 2.083 20 5 EEBDHN CN1CC=C(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447817099 242322343 /nfs/dbraw/zinc/32/23/43/242322343.db2.gz OMZWHSUCWAAVSH-UHFFFAOYSA-N 0 3 346.431 2.101 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500164 243135736 /nfs/dbraw/zinc/13/57/36/243135736.db2.gz MVZORSDXGGMEEX-IUIKQTSFSA-N 0 3 335.404 2.491 20 5 EEBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592026 243169929 /nfs/dbraw/zinc/16/99/29/243169929.db2.gz PTCJKZCSVBZLHD-OLZOCXBDSA-N 0 3 349.387 2.245 20 5 EEBDHN CCOC[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712267 245217900 /nfs/dbraw/zinc/21/79/00/245217900.db2.gz WEVNPJBQIQCEJD-JKSUJKDBSA-N 0 3 338.404 2.226 20 5 EEBDHN CNC(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264598105 246677476 /nfs/dbraw/zinc/67/74/76/246677476.db2.gz MXHSTUXKKYCQMV-CQSZACIVSA-N 0 3 332.404 2.019 20 5 EEBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265139217 247239222 /nfs/dbraw/zinc/23/92/22/247239222.db2.gz BDGJEIUTHWGAIS-CQSZACIVSA-N 0 3 328.372 2.317 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087302 248087012 /nfs/dbraw/zinc/08/70/12/248087012.db2.gz OBSZYPXJAHYNST-SMDDNHRTSA-N 0 3 330.388 2.488 20 5 EEBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCNCC1 ZINC000422705450 284707278 /nfs/dbraw/zinc/70/72/78/284707278.db2.gz CCJPKYJTHAIFHK-UHFFFAOYSA-N 0 3 339.370 2.256 20 5 EEBDHN CCc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267134795 256030708 /nfs/dbraw/zinc/03/07/08/256030708.db2.gz SHMYGEFCHJUBQM-INIZCTEOSA-N 0 3 337.445 2.324 20 5 EEBDHN Cc1cc(NCC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272814666 256241069 /nfs/dbraw/zinc/24/10/69/256241069.db2.gz HQGAFUFHAYJSBL-UHFFFAOYSA-N 0 3 344.371 2.145 20 5 EEBDHN COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000272891310 256247270 /nfs/dbraw/zinc/24/72/70/256247270.db2.gz YQNAUXHRJBMFQM-OLZOCXBDSA-N 0 3 334.376 2.304 20 5 EEBDHN CN(CCN1CCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089899345 292213778 /nfs/dbraw/zinc/21/37/78/292213778.db2.gz TZQWSADLGGILDL-UHFFFAOYSA-N 0 3 331.376 2.172 20 5 EEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377162877 154068618 /nfs/dbraw/zinc/06/86/18/154068618.db2.gz ODSJTIBMOFPDRP-INIZCTEOSA-N 0 3 346.431 2.014 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342275190 161052716 /nfs/dbraw/zinc/05/27/16/161052716.db2.gz ALSASYZBFXLIQB-VXGBXAGGSA-N 0 3 326.324 2.127 20 5 EEBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000343068161 161100124 /nfs/dbraw/zinc/10/01/24/161100124.db2.gz QGZPIXDSIWGBSZ-ZIAGYGMSSA-N 0 3 335.404 2.353 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000352593463 162203405 /nfs/dbraw/zinc/20/34/05/162203405.db2.gz REVJMUAKXWCMBX-LBPRGKRZSA-N 0 3 343.449 2.302 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000352593462 162204002 /nfs/dbraw/zinc/20/40/02/162204002.db2.gz REVJMUAKXWCMBX-GFCCVEGCSA-N 0 3 343.449 2.302 20 5 EEBDHN CC[C@@](C)(O)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352714568 162257393 /nfs/dbraw/zinc/25/73/93/162257393.db2.gz FHQYUOVILREWLN-OAHLLOKOSA-N 0 3 348.346 2.498 20 5 EEBDHN Cc1cc(NCCN2CC=CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000360123393 164238565 /nfs/dbraw/zinc/23/85/65/164238565.db2.gz OXPDHLRQBKOWNW-UHFFFAOYSA-N 0 3 339.399 2.456 20 5 EEBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898002 166148364 /nfs/dbraw/zinc/14/83/64/166148364.db2.gz VSNWCUNFUDWKDI-HIFRSBDPSA-N 0 3 339.779 2.344 20 5 EEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000374905115 167065085 /nfs/dbraw/zinc/06/50/85/167065085.db2.gz VPHUODNXDOXBBL-LBPRGKRZSA-N 0 3 347.371 2.070 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000274413423 269031338 /nfs/dbraw/zinc/03/13/38/269031338.db2.gz WGYRROFFGKKJNC-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN C[C@H](CO)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000280335281 269352757 /nfs/dbraw/zinc/35/27/57/269352757.db2.gz HYJKKCCAEYILIZ-GFCCVEGCSA-N 0 3 336.388 2.444 20 5 EEBDHN CCc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000237139051 274088722 /nfs/dbraw/zinc/08/87/22/274088722.db2.gz QKWYVMKIOKYBIN-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000278397605 274351344 /nfs/dbraw/zinc/35/13/44/274351344.db2.gz FRGGJVWKKIYCDQ-ZDUSSCGKSA-N 0 3 337.395 2.419 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287256581 274948877 /nfs/dbraw/zinc/94/88/77/274948877.db2.gz RICQYZCZQPNJIQ-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000288395922 275053981 /nfs/dbraw/zinc/05/39/81/275053981.db2.gz MQLUUEPCGFPNBQ-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN CC(C)N(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000290636835 275224847 /nfs/dbraw/zinc/22/48/47/275224847.db2.gz HOGRZLVZAFBHQD-LLVKDONJSA-N 0 3 329.422 2.139 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000161266617 277182550 /nfs/dbraw/zinc/18/25/50/277182550.db2.gz PJKGBVJZPNNHEA-YGRLFVJLSA-N 0 3 339.342 2.429 20 5 EEBDHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000071847793 280320784 /nfs/dbraw/zinc/32/07/84/280320784.db2.gz FRSZVGZWOCPIMP-OAHLLOKOSA-N 0 3 335.404 2.086 20 5 EEBDHN Cc1ccc([C@H](C)NCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282665235 292848919 /nfs/dbraw/zinc/84/89/19/292848919.db2.gz IVIARBPMDCRPRM-AWEZNQCLSA-N 0 3 338.404 2.112 20 5 EEBDHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)N1C ZINC000293411503 293202112 /nfs/dbraw/zinc/20/21/12/293202112.db2.gz MNALUVLQFKQUKS-TXEJJXNPSA-N 0 3 338.383 2.087 20 5 EEBDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000296067018 293884351 /nfs/dbraw/zinc/88/43/51/293884351.db2.gz WJEOAWZVLFWVPF-CYBMUJFWSA-N 0 3 344.419 2.311 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3O)c1 ZINC000296726134 294050815 /nfs/dbraw/zinc/05/08/15/294050815.db2.gz NSYWZULWNGFFJJ-DYVFJYSZSA-N 0 3 344.367 2.317 20 5 EEBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421746124 314154133 /nfs/dbraw/zinc/15/41/33/314154133.db2.gz ANJVXASSMIISEJ-UHFFFAOYSA-N 0 3 335.404 2.052 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000437226504 315031752 /nfs/dbraw/zinc/03/17/52/315031752.db2.gz HONJHFZHKLLOKU-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000439089175 315066940 /nfs/dbraw/zinc/06/69/40/315066940.db2.gz WELRVGBNBJAXBI-GFCCVEGCSA-N 0 3 343.387 2.273 20 5 EEBDHN COC(=O)c1cnc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443948206 315265757 /nfs/dbraw/zinc/26/57/57/315265757.db2.gz QELKZBYIAUMIEV-UHFFFAOYSA-N 0 3 336.392 2.310 20 5 EEBDHN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccc(F)cc2)n1 ZINC000449197755 315430434 /nfs/dbraw/zinc/43/04/34/315430434.db2.gz XLYWFRLSTJUOKM-UHFFFAOYSA-N 0 3 344.350 2.121 20 5 EEBDHN CNc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000516866460 316602771 /nfs/dbraw/zinc/60/27/71/316602771.db2.gz ZDSLBGUJUIZRDI-INIZCTEOSA-N 0 3 340.383 2.253 20 5 EEBDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574349 318132743 /nfs/dbraw/zinc/13/27/43/318132743.db2.gz NGAQUCPNOOVJRB-CZUORRHYSA-N 0 3 348.403 2.463 20 5 EEBDHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000182319134 323372273 /nfs/dbraw/zinc/37/22/73/323372273.db2.gz QYPUFYFHURDNFF-ZBFHGGJFSA-N 0 3 333.388 2.031 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000133662091 462956842 /nfs/dbraw/zinc/95/68/42/462956842.db2.gz MMKJYVWHGMMWOS-BXKDBHETSA-N 0 3 348.359 2.166 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@H]3CO2)ccc2ncccc21 ZINC000325861808 465032302 /nfs/dbraw/zinc/03/23/02/465032302.db2.gz YKCLQSXKOYSHQD-STQMWFEESA-N 0 3 328.372 2.418 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000341211748 465058959 /nfs/dbraw/zinc/05/89/59/465058959.db2.gz PMFJDJOJEREHAB-AEFFLSMTSA-N 0 3 346.383 2.048 20 5 EEBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN(C2CC2)C1 ZINC000296166960 465101274 /nfs/dbraw/zinc/10/12/74/465101274.db2.gz WYJHIYVCCZVZFI-CYBMUJFWSA-N 0 3 347.415 2.377 20 5 EEBDHN NC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503796 465189700 /nfs/dbraw/zinc/18/97/00/465189700.db2.gz UAFVZEGVUAPJJF-GJZGRUSLSA-N 0 3 343.387 2.164 20 5 EEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000061379543 462582389 /nfs/dbraw/zinc/58/23/89/462582389.db2.gz ZLWUMRSFVMNMBD-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN Cc1cc(NC[C@H](O)CN2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739824 462629237 /nfs/dbraw/zinc/62/92/37/462629237.db2.gz MQCQLXIRYHLKJC-INIZCTEOSA-N 0 3 342.399 2.129 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000153515752 462659486 /nfs/dbraw/zinc/65/94/86/462659486.db2.gz SNKJBEWEIKMTQP-INIZCTEOSA-N 0 3 346.383 2.475 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000063727681 462666090 /nfs/dbraw/zinc/66/60/90/462666090.db2.gz JVSOUHVBSZMOAS-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CN1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116714819 462769821 /nfs/dbraw/zinc/76/98/21/462769821.db2.gz PIHLWLTUFWIBGY-UHFFFAOYSA-N 0 3 341.795 2.181 20 5 EEBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552513 462797555 /nfs/dbraw/zinc/79/75/55/462797555.db2.gz VLGSFNYTEHRONN-CABCVRRESA-N 0 3 335.404 2.036 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009917075 462809161 /nfs/dbraw/zinc/80/91/61/462809161.db2.gz PYUFEIHBHINZQG-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN CS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000066870241 462938783 /nfs/dbraw/zinc/93/87/83/462938783.db2.gz KAWHWBKXGIPYTP-UHFFFAOYSA-N 0 3 334.397 2.331 20 5 EEBDHN CN(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128910 462941826 /nfs/dbraw/zinc/94/18/26/462941826.db2.gz SHAGGCFYGNEPIL-OAHLLOKOSA-N 0 3 342.399 2.279 20 5 EEBDHN Cc1c(CC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000133653235 462956218 /nfs/dbraw/zinc/95/62/18/462956218.db2.gz FIJMYIUHYLETNY-NVXWUHKLSA-N 0 3 331.416 2.388 20 5 EEBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000068202991 463104928 /nfs/dbraw/zinc/10/49/28/463104928.db2.gz VSXJHMFLUFDSSC-KBPBESRZSA-N 0 3 334.420 2.243 20 5 EEBDHN O=C1NCCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135436071 463155201 /nfs/dbraw/zinc/15/52/01/463155201.db2.gz MOVSCUSWLILKOZ-UHFFFAOYSA-N 0 3 332.404 2.017 20 5 EEBDHN Cc1ccccc1CN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000136496555 463242832 /nfs/dbraw/zinc/24/28/32/463242832.db2.gz HSWGZRBACQFKHC-UHFFFAOYSA-N 0 3 343.387 2.021 20 5 EEBDHN CN(C)CCN(C)c1ccc(I)cc1[N+](=O)[O-] ZINC000080685028 463348001 /nfs/dbraw/zinc/34/80/01/463348001.db2.gz LKFGHHZYQYALCY-UHFFFAOYSA-N 0 3 349.172 2.197 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(CCO)CCCC1)OCCO2 ZINC000072925886 463564180 /nfs/dbraw/zinc/56/41/80/463564180.db2.gz ICSBSIPIWIOSIS-UHFFFAOYSA-N 0 3 336.388 2.398 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000126310749 463624431 /nfs/dbraw/zinc/62/44/31/463624431.db2.gz XLGANZUTTFTVCP-AWEZNQCLSA-N 0 3 343.387 2.193 20 5 EEBDHN Cc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000126310749 463624434 /nfs/dbraw/zinc/62/44/34/463624434.db2.gz XLGANZUTTFTVCP-AWEZNQCLSA-N 0 3 343.387 2.193 20 5 EEBDHN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000269240334 463924139 /nfs/dbraw/zinc/92/41/39/463924139.db2.gz XYZHFWXZMKPXRP-UHFFFAOYSA-N 0 3 329.360 2.168 20 5 EEBDHN Cc1c(CC(=O)NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000278805042 463988337 /nfs/dbraw/zinc/98/83/37/463988337.db2.gz ZKLXCSIPMWRAAR-AWEZNQCLSA-N 0 3 349.431 2.063 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(CO)COC3)s2)cc1 ZINC000269515269 464005182 /nfs/dbraw/zinc/00/51/82/464005182.db2.gz VVGHSWDBKYJITD-UHFFFAOYSA-N 0 3 334.397 2.422 20 5 EEBDHN CN(C)C1(CN(C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000186970352 464085233 /nfs/dbraw/zinc/08/52/33/464085233.db2.gz MMGRNOIEHIXMJO-INIZCTEOSA-N 0 3 346.431 2.116 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292374490 464211618 /nfs/dbraw/zinc/21/16/18/464211618.db2.gz RFDJEERGVVSEOE-MRXNPFEDSA-N 0 3 335.429 2.485 20 5 EEBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292408209 464222345 /nfs/dbraw/zinc/22/23/45/464222345.db2.gz VOHTYNJIXQDPJT-ZDUSSCGKSA-N 0 3 341.209 2.284 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCCCCC2)c([N+](=O)[O-])c1 ZINC000237738787 464371793 /nfs/dbraw/zinc/37/17/93/464371793.db2.gz DASVZOZZWMIFED-UHFFFAOYSA-N 0 3 341.433 2.233 20 5 EEBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N(C)C ZINC000271977573 464434317 /nfs/dbraw/zinc/43/43/17/464434317.db2.gz DFEMKTBCAWDMGD-GXTWGEPZSA-N 0 3 336.417 2.213 20 5 EEBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181978194 464543336 /nfs/dbraw/zinc/54/33/36/464543336.db2.gz WWHMSNWKFYPKDO-LBPRGKRZSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246248129 464563499 /nfs/dbraw/zinc/56/34/99/464563499.db2.gz VZCVHPMKPHMTJS-GJZGRUSLSA-N 0 3 348.447 2.268 20 5 EEBDHN C[C@H](c1ccncc1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287122 464620201 /nfs/dbraw/zinc/62/02/01/464620201.db2.gz IJIYPPHVUVEKAD-HIFRSBDPSA-N 0 3 331.372 2.423 20 5 EEBDHN COC(=O)Cc1ccc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000294934589 464652944 /nfs/dbraw/zinc/65/29/44/464652944.db2.gz KYYGFOQASWMWGT-SFHVURJKSA-N 0 3 347.415 2.232 20 5 EEBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCO[C@@H]21 ZINC000265971538 464754830 /nfs/dbraw/zinc/75/48/30/464754830.db2.gz KXMQZLHUOXRRSU-IMJJTQAJSA-N 0 3 334.372 2.364 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183468466 464867968 /nfs/dbraw/zinc/86/79/68/464867968.db2.gz RXPWVNLQSXJNFR-DUVNUKRYSA-N 0 3 335.404 2.190 20 5 EEBDHN CCN(CCO)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000184001065 464936876 /nfs/dbraw/zinc/93/68/76/464936876.db2.gz TVYNPCDMTJNXSP-UHFFFAOYSA-N 0 3 337.423 2.432 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261465 464996214 /nfs/dbraw/zinc/99/62/14/464996214.db2.gz ZIGPOUILBKPTBQ-BDJLRTHQSA-N 0 3 344.415 2.382 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000554641044 468435353 /nfs/dbraw/zinc/43/53/53/468435353.db2.gz FNCRWOULHWLTJR-CZUORRHYSA-N 0 3 342.399 2.326 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078797 465590353 /nfs/dbraw/zinc/59/03/53/465590353.db2.gz IREDOTNTEBHKCG-UONOGXRCSA-N 0 3 335.404 2.210 20 5 EEBDHN O=C(CN[C@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519821 465648559 /nfs/dbraw/zinc/64/85/59/465648559.db2.gz GCTFGLMHVGUDJW-CMPLNLGQSA-N 0 3 329.303 2.283 20 5 EEBDHN CN(C(=O)CN[C@@](C)(CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348697248 465746696 /nfs/dbraw/zinc/74/66/96/465746696.db2.gz HXULPMPDHNJYKJ-SFHVURJKSA-N 0 3 349.431 2.479 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000371517243 465852165 /nfs/dbraw/zinc/85/21/65/465852165.db2.gz NMSXETMXBHEUBR-ZIAGYGMSSA-N 0 3 332.404 2.092 20 5 EEBDHN CCCCN1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357228909 465874670 /nfs/dbraw/zinc/87/46/70/465874670.db2.gz ZCBYIVSJOYXIBA-LBPRGKRZSA-N 0 3 335.408 2.155 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1CO ZINC000594016743 468461589 /nfs/dbraw/zinc/46/15/89/468461589.db2.gz HATVGQCYCRYXIZ-AWEZNQCLSA-N 0 3 349.387 2.130 20 5 EEBDHN COc1cc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301618185 465997360 /nfs/dbraw/zinc/99/73/60/465997360.db2.gz KWNWZTLKDVQBCV-GFCCVEGCSA-N 0 3 341.383 2.247 20 5 EEBDHN O=C1CCCN1C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000361526680 466074668 /nfs/dbraw/zinc/07/46/68/466074668.db2.gz SQIIDTVFUWPTQE-MRXNPFEDSA-N 0 3 347.415 2.451 20 5 EEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1CCO ZINC000302564629 466155050 /nfs/dbraw/zinc/15/50/50/466155050.db2.gz VSYMCGVSWFOBRQ-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC000349721538 466205401 /nfs/dbraw/zinc/20/54/01/466205401.db2.gz LDHRBSBMSGLLHM-QWHCGFSZSA-N 0 3 344.419 2.309 20 5 EEBDHN Cc1cccc(NC[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363354117 466363643 /nfs/dbraw/zinc/36/36/43/466363643.db2.gz XQQYARFBKCPXRB-CQSZACIVSA-N 0 3 330.392 2.071 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354432897 466564143 /nfs/dbraw/zinc/56/41/43/466564143.db2.gz CGFYQFXNVTZURQ-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCC1(F)F ZINC000591668930 468499956 /nfs/dbraw/zinc/49/99/56/468499956.db2.gz KFFPAKOBCJHRCQ-CQSZACIVSA-N 0 3 341.358 2.279 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])cc1C ZINC000320561353 466611948 /nfs/dbraw/zinc/61/19/48/466611948.db2.gz VOHRKRSLARSYFX-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN C[C@H]1CCN[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223110 466699130 /nfs/dbraw/zinc/69/91/30/466699130.db2.gz DVTPLBUKLBAVKA-SUMWQHHRSA-N 0 3 347.415 2.353 20 5 EEBDHN CC(=O)c1ccc(N[C@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267209 466723169 /nfs/dbraw/zinc/72/31/69/466723169.db2.gz OJDSTUOHXILVDO-HNNXBMFYSA-N 0 3 346.431 2.378 20 5 EEBDHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411231682 466789173 /nfs/dbraw/zinc/78/91/73/466789173.db2.gz YMZJDSFCIJRCON-UHFFFAOYSA-N 0 3 343.383 2.418 20 5 EEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411990737 466959874 /nfs/dbraw/zinc/95/98/74/466959874.db2.gz RTZVYRZPTOGRGL-QMTHXVAHSA-N 0 3 348.321 2.491 20 5 EEBDHN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000365928629 466992044 /nfs/dbraw/zinc/99/20/44/466992044.db2.gz ORRHDWXCMRBCMG-MJBXVCDLSA-N 0 3 349.435 2.216 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413255008 467198117 /nfs/dbraw/zinc/19/81/17/467198117.db2.gz FKEOISNJDUMSCZ-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000451645455 467263678 /nfs/dbraw/zinc/26/36/78/467263678.db2.gz AVJLLODIVUVSFD-DZGCQCFKSA-N 0 3 338.429 2.162 20 5 EEBDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305127 467322860 /nfs/dbraw/zinc/32/28/60/467322860.db2.gz ZOISHQSQNSISOB-SMDDNHRTSA-N 0 3 341.367 2.384 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000379496235 467368587 /nfs/dbraw/zinc/36/85/87/467368587.db2.gz QXUDDDMNHIPKPQ-DTWKUNHWSA-N 0 3 342.193 2.180 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000449320008 467630479 /nfs/dbraw/zinc/63/04/79/467630479.db2.gz HUIFZXQKAFDMOG-NEPJUHHUSA-N 0 3 326.418 2.081 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000449320010 467630635 /nfs/dbraw/zinc/63/06/35/467630635.db2.gz HUIFZXQKAFDMOG-RYUDHWBXSA-N 0 3 326.418 2.081 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352101 467892696 /nfs/dbraw/zinc/89/26/96/467892696.db2.gz MIHMKKAZVVSWMZ-ZPIQOJFGSA-N 0 3 347.415 2.225 20 5 EEBDHN NC(=O)C1(NCc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000459794993 467965806 /nfs/dbraw/zinc/96/58/06/467965806.db2.gz XBEZUXXBQUCMMC-UHFFFAOYSA-N 0 3 329.400 2.365 20 5 EEBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589687920 468177057 /nfs/dbraw/zinc/17/70/57/468177057.db2.gz QBSOBVFVFZNUGV-AWEZNQCLSA-N 0 3 336.411 2.259 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201013 468510765 /nfs/dbraw/zinc/51/07/65/468510765.db2.gz MOTKSTSFMQSKMI-GDBMZVCRSA-N 0 3 333.388 2.350 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2Cc3ccccc32)cc1 ZINC000591729075 468511785 /nfs/dbraw/zinc/51/17/85/468511785.db2.gz HHGOISQCSULCQH-AWEZNQCLSA-N 0 3 346.408 2.298 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594596530 468630675 /nfs/dbraw/zinc/63/06/75/468630675.db2.gz ANQLUUJNPQVLLZ-AAEUAGOBSA-N 0 3 334.376 2.205 20 5 EEBDHN O=C([C@@H]1CNCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000592217932 468658378 /nfs/dbraw/zinc/65/83/78/468658378.db2.gz ZQISHCZESCLLAO-GOSISDBHSA-N 0 3 337.379 2.367 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)c2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000601281365 468809301 /nfs/dbraw/zinc/80/93/01/468809301.db2.gz NPDJNCKILKTTHS-CYBMUJFWSA-N 0 3 345.403 2.152 20 5 EEBDHN O=C1COc2ccc(CNCCOc3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000560475163 468814943 /nfs/dbraw/zinc/81/49/43/468814943.db2.gz NTEMNAGQTMNBDE-UHFFFAOYSA-N 0 3 343.339 2.094 20 5 EEBDHN COC(=O)c1ccnc(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598627959 468937657 /nfs/dbraw/zinc/93/76/57/468937657.db2.gz XKOCFFCFNVHPEN-LBPRGKRZSA-N 0 3 348.403 2.087 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000562477086 468965012 /nfs/dbraw/zinc/96/50/12/468965012.db2.gz BPPYCZOYXQIDDN-IVMMDQJWSA-N 0 3 332.404 2.090 20 5 EEBDHN COC(=O)[C@@H](C)[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794319 469079540 /nfs/dbraw/zinc/07/95/40/469079540.db2.gz VIQHTVBGUBCCJP-LRDDRELGSA-N 0 3 346.387 2.240 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c(OC(F)F)c1 ZINC000596088094 469149111 /nfs/dbraw/zinc/14/91/11/469149111.db2.gz WDWKZMHHOAMBSZ-UHFFFAOYSA-N 0 3 345.346 2.455 20 5 EEBDHN CSC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602920004 469165209 /nfs/dbraw/zinc/16/52/09/469165209.db2.gz PMVRQQNVYCKISL-CYBMUJFWSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596172381 469185601 /nfs/dbraw/zinc/18/56/01/469185601.db2.gz VZDXFQAGCKKQAB-GFCCVEGCSA-N 0 3 342.403 2.605 20 5 EEBDHN CCN1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596268608 469226814 /nfs/dbraw/zinc/22/68/14/469226814.db2.gz KKBARKAUQFKTRA-GFCCVEGCSA-N 0 3 336.392 2.005 20 5 EEBDHN CNC(=O)c1ccc(N[C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488141 469282346 /nfs/dbraw/zinc/28/23/46/469282346.db2.gz MNYVJBNXTSSDOW-ZDUSSCGKSA-N 0 3 334.420 2.487 20 5 EEBDHN CO[C@@H](CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004431 577470913 /nfs/dbraw/zinc/47/09/13/577470913.db2.gz ACDBGWGSDBMTDC-CABZTGNLSA-N 0 3 349.309 2.479 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000768843901 577563856 /nfs/dbraw/zinc/56/38/56/577563856.db2.gz XWYGQUDGXOLIDA-QWRGUYRKSA-N 0 3 347.462 2.150 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000742834232 577877144 /nfs/dbraw/zinc/87/71/44/577877144.db2.gz OJTRAYRLBHOSNX-INIZCTEOSA-N 0 3 347.415 2.276 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000746287717 577925378 /nfs/dbraw/zinc/92/53/78/577925378.db2.gz WIEMYZRMENLCCA-OAHLLOKOSA-N 0 3 342.399 2.080 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000891345646 676413932 /nfs/dbraw/zinc/41/39/32/676413932.db2.gz XOWTUFQUMNHRKC-SFYZADRCSA-N 0 3 336.270 2.014 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000934398454 678334744 /nfs/dbraw/zinc/33/47/44/678334744.db2.gz ZKRZYDMVEXFTMW-DTJGQCLQSA-N 0 3 329.400 2.440 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000894445544 682897848 /nfs/dbraw/zinc/89/78/48/682897848.db2.gz OUKPHWGKWUSXSN-TZMCWYRMSA-N 0 3 335.404 2.368 20 5 EEBDHN CN(c1c([N+](=O)[O-])cnn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000892768111 683020799 /nfs/dbraw/zinc/02/07/99/683020799.db2.gz OWKCVXGMPSPFIJ-HNNXBMFYSA-N 0 3 329.404 2.429 20 5 EEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1 ZINC001029303527 683934872 /nfs/dbraw/zinc/93/48/72/683934872.db2.gz QOCJLAMFKQXUMZ-UURLNISCSA-N 0 3 341.411 2.040 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOC[C@@H]1CC ZINC000873187876 1198524426 /nfs/dbraw/zinc/52/44/26/1198524426.db2.gz BXFYBCUIAHJQCY-HNNXBMFYSA-N 0 3 337.420 2.194 20 5 EEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(OC)cc1 ZINC000813109923 1201121891 /nfs/dbraw/zinc/12/18/91/1201121891.db2.gz QJTVTGRVIDRXEJ-LLVKDONJSA-N 0 3 333.344 2.265 20 5 EEBDHN COc1ccc(CN(CCO)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000880570632 1201525986 /nfs/dbraw/zinc/52/59/86/1201525986.db2.gz XEQBAESMQUWZPH-UHFFFAOYSA-N 0 3 346.383 2.477 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001114798167 1215317890 /nfs/dbraw/zinc/31/78/90/1215317890.db2.gz VHYHTCBKPMOQTH-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048677636 1238268402 /nfs/dbraw/zinc/26/84/02/1238268402.db2.gz RKJLZKDJOXTPFA-GASCZTMLSA-N 0 3 340.383 2.127 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097029952 1243638119 /nfs/dbraw/zinc/63/81/19/1243638119.db2.gz MZPSZXGHDYCHNN-SHTZXODSSA-N 0 3 334.420 2.304 20 5 EEBDHN CCCN(C)CC(=O)NCCN(c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC001101370053 1245727886 /nfs/dbraw/zinc/72/78/86/1245727886.db2.gz CCGGSTGMFCWTEG-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CCCOCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199650520 1285754219 /nfs/dbraw/zinc/75/42/19/1285754219.db2.gz QPNNGCQRHSAATB-UHFFFAOYSA-N 0 3 341.433 2.164 20 5 EEBDHN CN(CCCNC(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001231230261 1303692947 /nfs/dbraw/zinc/69/29/47/1303692947.db2.gz ADHHFPGLVKVGNB-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN CN(CCCNC(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231231848 1303693999 /nfs/dbraw/zinc/69/39/99/1303693999.db2.gz XORJWLVVXMCOJC-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC001111827795 1303956201 /nfs/dbraw/zinc/95/62/01/1303956201.db2.gz CQQNCGPERYIVNM-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111828961 1303959106 /nfs/dbraw/zinc/95/91/06/1303959106.db2.gz LLRWPWZQHYAAPS-UHFFFAOYSA-N 0 3 343.387 2.320 20 5 EEBDHN O=[N+]([O-])c1cccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001248331134 1310889245 /nfs/dbraw/zinc/88/92/45/1310889245.db2.gz UZFGMYKEASUQMW-UHFFFAOYSA-N 0 3 337.339 2.276 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000843090746 1315839275 /nfs/dbraw/zinc/83/92/75/1315839275.db2.gz WHQHRTHMQUDAQM-GJZGRUSLSA-N 0 3 338.310 2.230 20 5 EEBDHN Cc1c(Cc2noc(C[C@H]3CSCCN3)n2)cccc1[N+](=O)[O-] ZINC000843191363 1315863491 /nfs/dbraw/zinc/86/34/91/1315863491.db2.gz FRJDPXVJDRLWGV-LBPRGKRZSA-N 0 3 334.401 2.125 20 5 EEBDHN Cc1cccc(OCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001150879671 1316399264 /nfs/dbraw/zinc/39/92/64/1316399264.db2.gz FXMZJQQSHNLQKO-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN CC(C)c1ncncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151266436 1316492310 /nfs/dbraw/zinc/49/23/10/1316492310.db2.gz VLCMTHXPKSEHGT-UHFFFAOYSA-N 0 3 343.387 2.028 20 5 EEBDHN O=C(CCc1ccco1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154546194 1317197631 /nfs/dbraw/zinc/19/76/31/1317197631.db2.gz ZCYHJLIBZHAGBB-UHFFFAOYSA-N 0 3 337.401 2.478 20 5 EEBDHN CCOC(=O)c1c(CN)ncn1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532060 1318111461 /nfs/dbraw/zinc/11/14/61/1318111461.db2.gz JJBBKTHTORMNRA-LLVKDONJSA-N 0 3 332.360 2.230 20 5 EEBDHN COC(=O)C[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577560 1318127580 /nfs/dbraw/zinc/12/75/80/1318127580.db2.gz FMQMVSSVSUGYHW-WBVHZDCISA-N 0 3 341.367 2.351 20 5 EEBDHN COc1cccc(CN2CC[C@H](Nc3cc(N)c([N+](=O)[O-])cn3)C2)c1 ZINC001161193371 1320416005 /nfs/dbraw/zinc/41/60/05/1320416005.db2.gz WWVBSPDYBAYFNA-ZDUSSCGKSA-N 0 3 343.387 2.267 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2cnc3c2CNCC3)c1 ZINC001164314050 1321347784 /nfs/dbraw/zinc/34/77/84/1321347784.db2.gz ZLORJLUARGEVJT-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)n1 ZINC001165090002 1321452712 /nfs/dbraw/zinc/45/27/12/1321452712.db2.gz WXRXRSULMGBFHT-RDJZCZTQSA-N 0 3 339.399 2.404 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001262653066 1322338140 /nfs/dbraw/zinc/33/81/40/1322338140.db2.gz YKZFHTYGLIYAKV-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN CCC[NH+]1CCC(N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001604219856 1350895878 /nfs/dbraw/zinc/89/58/78/1350895878.db2.gz HCHDIAZMJSAONH-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN C[C@H]1CCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768601 1369485056 /nfs/dbraw/zinc/48/50/56/1369485056.db2.gz ROWHRPPOULCOLH-YOEHRIQHSA-N 0 3 343.431 2.492 20 5 EEBDHN CCCC[N@H+](C)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577507762 1403659934 /nfs/dbraw/zinc/65/99/34/1403659934.db2.gz AKAKFOVCYMAIES-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCCC[N@@H+](C)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577507762 1403659941 /nfs/dbraw/zinc/65/99/41/1403659941.db2.gz AKAKFOVCYMAIES-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCCC[N@H+](C)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577507762 1403659944 /nfs/dbraw/zinc/65/99/44/1403659944.db2.gz AKAKFOVCYMAIES-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCCC[N@@H+](C)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577507762 1403659947 /nfs/dbraw/zinc/65/99/47/1403659947.db2.gz AKAKFOVCYMAIES-UHFFFAOYSA-N 0 3 337.359 2.058 20 5 EEBDHN CCCN(C)CC(=O)NCCN(CC)c1cccc(F)c1[N+](=O)[O-] ZINC001100576452 760306044 /nfs/dbraw/zinc/30/60/44/760306044.db2.gz CTAALDULUHDSFC-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN Cc1cc(N(C)CCN(C)C(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001105415263 783184257 /nfs/dbraw/zinc/18/42/57/783184257.db2.gz KPSGJFBDESCFEK-UHFFFAOYSA-N 0 3 336.436 2.138 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@@H]1CCCN1C ZINC000817131827 784527416 /nfs/dbraw/zinc/52/74/16/784527416.db2.gz RDDHVLGIGKLQSE-NSHDSACASA-N 0 3 339.367 2.441 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107205181 786397560 /nfs/dbraw/zinc/39/75/60/786397560.db2.gz XAWFAOAQYAAGPQ-VOTSOKGWSA-N 0 3 334.420 2.329 20 5 EEBDHN COc1cc(C(=O)NC[C@H](C)N2CCCCC2)c([N+](=O)[O-])cc1F ZINC000822662979 787319981 /nfs/dbraw/zinc/31/99/81/787319981.db2.gz JLNGUGQANOOEPI-NSHDSACASA-N 0 3 339.367 2.347 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CN(C)C2CCC2)n1 ZINC001109653501 805831025 /nfs/dbraw/zinc/83/10/25/805831025.db2.gz YZYNCYXYBVEHRC-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cc1nn(CCC(=O)OC[C@H]2CCN2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000845735128 789928748 /nfs/dbraw/zinc/92/87/48/789928748.db2.gz KXDOSYJOVIBADX-CYBMUJFWSA-N 0 3 338.408 2.214 20 5 EEBDHN CC([C@@H](OC(=O)CN1CCSC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872501 789971386 /nfs/dbraw/zinc/97/13/86/789971386.db2.gz IOOWMSDBNBNSOL-NOZJJQNGSA-N 0 3 342.348 2.244 20 5 EEBDHN CC1(C)CCN(CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001094784375 796578279 /nfs/dbraw/zinc/57/82/79/796578279.db2.gz RIHZRPBEZFRLEW-UHFFFAOYSA-N 0 3 334.420 2.245 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H]3C[C@H](CO)C[C@@H]31)CC2 ZINC001172903917 797130993 /nfs/dbraw/zinc/13/09/93/797130993.db2.gz JPBWNKYBVUSKMW-VLDUQVBPSA-N 0 3 346.427 2.314 20 5 EEBDHN CCOC(=O)c1c(CN)ncn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212276 797314970 /nfs/dbraw/zinc/31/49/70/797314970.db2.gz YUYDPGPZTORQJN-NSHDSACASA-N 0 3 332.360 2.230 20 5 EEBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2OCC)CCNC1 ZINC001170517928 812090548 /nfs/dbraw/zinc/09/05/48/812090548.db2.gz VTAKIIZTZHMLPV-UHFFFAOYSA-N 0 3 335.360 2.216 20 5 EEBDHN C[C@](CO)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000174792498 231313208 /nfs/dbraw/zinc/31/32/08/231313208.db2.gz FBWYWPNESSWITM-QGZVFWFLSA-N 0 3 335.404 2.115 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000186796624 236024135 /nfs/dbraw/zinc/02/41/35/236024135.db2.gz QFCUQFIYMZKJAV-ZDUSSCGKSA-N 0 3 334.420 2.256 20 5 EEBDHN Cn1cc(CN[C@@H]2C[C@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351385 236840307 /nfs/dbraw/zinc/84/03/07/236840307.db2.gz KFKXMGYCMANPFN-CABCVRRESA-N 0 3 330.388 2.244 20 5 EEBDHN CSc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425046095 241108915 /nfs/dbraw/zinc/10/89/15/241108915.db2.gz KODJBKPAEZKFEQ-GXTWGEPZSA-N 0 3 335.429 2.483 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446112298 242158600 /nfs/dbraw/zinc/15/86/00/242158600.db2.gz OOTQVOUUEAAJNS-UHFFFAOYSA-N 0 3 349.431 2.097 20 5 EEBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236723962 242335606 /nfs/dbraw/zinc/33/56/06/242335606.db2.gz UUBALJKPPXDOBE-ZDUSSCGKSA-N 0 3 349.840 2.290 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748299 243150901 /nfs/dbraw/zinc/15/09/01/243150901.db2.gz AJLHQHPZYINYST-DANNLKNASA-N 0 3 333.388 2.469 20 5 EEBDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552213 243156823 /nfs/dbraw/zinc/15/68/23/243156823.db2.gz YKPULHQATLZVTB-OFQRWUPVSA-N 0 3 338.404 2.081 20 5 EEBDHN CN(C)CC(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459551180 245164470 /nfs/dbraw/zinc/16/44/70/245164470.db2.gz RJYWPBLYLULPRF-UHFFFAOYSA-N 0 3 328.800 2.117 20 5 EEBDHN Cc1c(NC(=O)NC2CCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000079085380 217189220 /nfs/dbraw/zinc/18/92/20/217189220.db2.gz QMEGQLCRQNFSPJ-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000491687203 246110692 /nfs/dbraw/zinc/11/06/92/246110692.db2.gz UWLIZJBCNIPFHJ-YFUKIHRRSA-N 0 3 333.363 2.442 20 5 EEBDHN CN(c1c([N+](=O)[O-])ncn1C)C1CCN(Cc2ccccc2)CC1 ZINC000264989885 247114870 /nfs/dbraw/zinc/11/48/70/247114870.db2.gz SRIHZOKTFQBYDW-UHFFFAOYSA-N 0 3 329.404 2.429 20 5 EEBDHN CC[C@@H]1[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000497253019 247877254 /nfs/dbraw/zinc/87/72/54/247877254.db2.gz MGXQGZSFMMTBPV-SDDRHHMPSA-N 0 3 330.381 2.230 20 5 EEBDHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(C)C1 ZINC000266131425 248118151 /nfs/dbraw/zinc/11/81/51/248118151.db2.gz MQLUTZBEBFIDFA-HNNXBMFYSA-N 0 3 330.388 2.102 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000267085633 256025414 /nfs/dbraw/zinc/02/54/14/256025414.db2.gz HLAFPAROMPFHHS-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000267085636 256025659 /nfs/dbraw/zinc/02/56/59/256025659.db2.gz HLAFPAROMPFHHS-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000267448509 256060309 /nfs/dbraw/zinc/06/03/09/256060309.db2.gz LMTBGRKWCJMDAB-OCCSQVGLSA-N 0 3 336.417 2.441 20 5 EEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000267512059 256065459 /nfs/dbraw/zinc/06/54/59/256065459.db2.gz MCAIDWBWYKFAGY-GXTWGEPZSA-N 0 3 342.403 2.432 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268157624 256119972 /nfs/dbraw/zinc/11/99/72/256119972.db2.gz HIJWLIHKYCEQRO-RNCFNFMXSA-N 0 3 348.359 2.024 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000273499908 256301755 /nfs/dbraw/zinc/30/17/55/256301755.db2.gz LYTUUOFZFYJWOW-CABCVRRESA-N 0 3 335.429 2.247 20 5 EEBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000273673529 256316886 /nfs/dbraw/zinc/31/68/86/256316886.db2.gz XXOREDKYGYNHKR-UHFFFAOYSA-N 0 3 327.388 2.486 20 5 EEBDHN COc1cc(C)c([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000179618259 533612481 /nfs/dbraw/zinc/61/24/81/533612481.db2.gz GCQQFMAJUHZENH-LBPRGKRZSA-N 0 3 334.376 2.468 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000173258916 152154403 /nfs/dbraw/zinc/15/44/03/152154403.db2.gz ZGPIOKQYFARKLH-ZDUSSCGKSA-N 0 3 349.435 2.265 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083026351 159160727 /nfs/dbraw/zinc/16/07/27/159160727.db2.gz JRFUUCLSNMVAKD-HUUCEWRRSA-N 0 3 349.431 2.143 20 5 EEBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1C ZINC000343066167 161099787 /nfs/dbraw/zinc/09/97/87/161099787.db2.gz CYDYHXBYAJUJMQ-NWDGAFQWSA-N 0 3 345.403 2.464 20 5 EEBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344869761 161252343 /nfs/dbraw/zinc/25/23/43/161252343.db2.gz ZHYYMJNILOZHFI-UHFFFAOYSA-N 0 3 348.378 2.276 20 5 EEBDHN CCOC(=O)C(C)(C)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352448570 162139622 /nfs/dbraw/zinc/13/96/22/162139622.db2.gz HZCSBCGOKGPSSL-UHFFFAOYSA-N 0 3 338.408 2.093 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000352868763 162321667 /nfs/dbraw/zinc/32/16/67/162321667.db2.gz DLZCKCSKFZQPAU-OLZOCXBDSA-N 0 3 341.433 2.088 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364091256 165020316 /nfs/dbraw/zinc/02/03/16/165020316.db2.gz RIGIMQHSWUSMTR-KBPBESRZSA-N 0 3 348.403 2.196 20 5 EEBDHN Cc1ccc([C@]2(C)CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028262 166380617 /nfs/dbraw/zinc/38/06/17/166380617.db2.gz CJUPNDZJLRLKRE-QZTJIDSGSA-N 0 3 344.415 2.124 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000272504206 268984235 /nfs/dbraw/zinc/98/42/35/268984235.db2.gz ODXFQBZELXOFTM-DYVFJYSZSA-N 0 3 342.399 2.102 20 5 EEBDHN COc1cc(N[C@H](C)CCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000274441086 269033560 /nfs/dbraw/zinc/03/35/60/269033560.db2.gz GTLNMPAMQSDULR-GFCCVEGCSA-N 0 3 340.399 2.180 20 5 EEBDHN Cn1ccnc1[C@H]1OCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000275359141 269110422 /nfs/dbraw/zinc/11/04/22/269110422.db2.gz ASLFWHFAIKLBJJ-CXFYGJIZSA-N 0 3 328.372 2.461 20 5 EEBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(N)c2F)CCCO1 ZINC000277581012 269161951 /nfs/dbraw/zinc/16/19/51/269161951.db2.gz BVLBULSXDWJDAK-LLVKDONJSA-N 0 3 326.372 2.229 20 5 EEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277635860 269166131 /nfs/dbraw/zinc/16/61/31/269166131.db2.gz XOZHCZITZWQEKU-OAHLLOKOSA-N 0 3 346.431 2.408 20 5 EEBDHN CC[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(CC)CC ZINC000277871877 269193316 /nfs/dbraw/zinc/19/33/16/269193316.db2.gz DQNHFBOWHXVIJV-CQSZACIVSA-N 0 3 333.392 2.208 20 5 EEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000236715089 273563476 /nfs/dbraw/zinc/56/34/76/273563476.db2.gz KBDQNWLFEHRLLH-INIZCTEOSA-N 0 3 345.403 2.121 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000278274753 274342692 /nfs/dbraw/zinc/34/26/92/274342692.db2.gz FSBTUTGQRQMBEK-AWEZNQCLSA-N 0 3 335.404 2.134 20 5 EEBDHN CCC[C@@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000285388044 274722755 /nfs/dbraw/zinc/72/27/55/274722755.db2.gz BTEAVHZUBYPWIR-QGZVFWFLSA-N 0 3 333.388 2.033 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029321 274928429 /nfs/dbraw/zinc/92/84/29/274928429.db2.gz LRHYIIUDPATNDE-MLGOLLRUSA-N 0 3 338.429 2.387 20 5 EEBDHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000291640910 275325614 /nfs/dbraw/zinc/32/56/14/275325614.db2.gz BFDVQWZBSMXACT-ZDUSSCGKSA-N 0 3 349.366 2.052 20 5 EEBDHN C[C@H](c1ccccc1)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214370 275395014 /nfs/dbraw/zinc/39/50/14/275395014.db2.gz ONYYLDOTLRPGRD-CXAGYDPISA-N 0 3 343.383 2.221 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CCO)COC ZINC000271020800 287910165 /nfs/dbraw/zinc/91/01/65/287910165.db2.gz AJSKMNHMDGTVEL-CHWSQXEVSA-N 0 3 328.434 2.453 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000354358292 276825205 /nfs/dbraw/zinc/82/52/05/276825205.db2.gz RFNCHSMNUORGRC-CQSZACIVSA-N 0 3 342.399 2.080 20 5 EEBDHN Cc1cc(NCCN2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000360923411 280299483 /nfs/dbraw/zinc/29/94/83/280299483.db2.gz AVYQIQBLAONWDS-ZDUSSCGKSA-N 0 3 330.388 2.006 20 5 EEBDHN CN(C)C1(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000353671166 289059772 /nfs/dbraw/zinc/05/97/72/289059772.db2.gz NDKPNKHHOITECQ-MRXNPFEDSA-N 0 3 343.431 2.492 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009822 292882694 /nfs/dbraw/zinc/88/26/94/292882694.db2.gz GFVKVIREFIXMGK-VXGBXAGGSA-N 0 3 337.376 2.019 20 5 EEBDHN CN(C)CCOc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294508524 293472528 /nfs/dbraw/zinc/47/25/28/293472528.db2.gz HLJYYGONAMXOPS-UHFFFAOYSA-N 0 3 337.420 2.079 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296609365 294020428 /nfs/dbraw/zinc/02/04/28/294020428.db2.gz APPYJRQZMMVKOE-UHFFFAOYSA-N 0 3 342.371 2.132 20 5 EEBDHN Cc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000332500199 312016188 /nfs/dbraw/zinc/01/61/88/312016188.db2.gz VUBIHEFDPOSEPK-UHFFFAOYSA-N 0 3 341.433 2.008 20 5 EEBDHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCN1C ZINC000420996833 314018713 /nfs/dbraw/zinc/01/87/13/314018713.db2.gz GAZXQEGCLCTJEP-CQSZACIVSA-N 0 3 331.376 2.171 20 5 EEBDHN CN1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448862199 315394084 /nfs/dbraw/zinc/39/40/84/315394084.db2.gz XAKQTHDNJBKQRI-UHFFFAOYSA-N 0 3 333.388 2.016 20 5 EEBDHN O=c1[nH]cnc2cc(N3CC[C@@H](N4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000521672049 316927416 /nfs/dbraw/zinc/92/74/16/316927416.db2.gz OKVSZAUSNOTOLY-GFCCVEGCSA-N 0 3 343.387 2.308 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536628050 318005230 /nfs/dbraw/zinc/00/52/30/318005230.db2.gz WZEHZSPZDSIFLM-KGLIPLIRSA-N 0 3 337.420 2.365 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194379 318206650 /nfs/dbraw/zinc/20/66/50/318206650.db2.gz USEGHKHIGNGBAY-XJKSGUPXSA-N 0 3 342.399 2.184 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccncc2)C1 ZINC000574355500 320017623 /nfs/dbraw/zinc/01/76/23/320017623.db2.gz WMSYLXAKELGNJG-HOTGVXAUSA-N 0 3 343.383 2.219 20 5 EEBDHN C[C@@H]1COCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574478 320184067 /nfs/dbraw/zinc/18/40/67/320184067.db2.gz OZQDQISWIICNSR-OAHLLOKOSA-N 0 3 333.432 2.322 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CC(F)(F)C2)cc1 ZINC000581186614 324202609 /nfs/dbraw/zinc/20/26/09/324202609.db2.gz RYHGTMUSPTXHAU-UHFFFAOYSA-N 0 3 348.371 2.394 20 5 EEBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581429693 324252714 /nfs/dbraw/zinc/25/27/14/324252714.db2.gz XLQJWNBOGVCURV-OAHLLOKOSA-N 0 3 330.388 2.487 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@H]3CO2)ccc2ncccc21 ZINC000325861807 465032408 /nfs/dbraw/zinc/03/24/08/465032408.db2.gz YKCLQSXKOYSHQD-QWHCGFSZSA-N 0 3 328.372 2.418 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000347457004 465033258 /nfs/dbraw/zinc/03/32/58/465033258.db2.gz YEGMYAFYIYJWFS-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339122245 465095497 /nfs/dbraw/zinc/09/54/97/465095497.db2.gz BUPQHJMGVJRTSZ-OAHLLOKOSA-N 0 3 336.392 2.169 20 5 EEBDHN NC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503797 465190103 /nfs/dbraw/zinc/19/01/03/465190103.db2.gz UAFVZEGVUAPJJF-HUUCEWRRSA-N 0 3 343.387 2.164 20 5 EEBDHN COc1cccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000356311029 465306347 /nfs/dbraw/zinc/30/63/47/465306347.db2.gz ITZUBQPBNHMCFF-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000153606579 462669253 /nfs/dbraw/zinc/66/92/53/462669253.db2.gz FFZHAXHNSSCZBU-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000046380602 462675630 /nfs/dbraw/zinc/67/56/30/462675630.db2.gz NDICTTXKXNNJQK-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000064312094 462693883 /nfs/dbraw/zinc/69/38/83/462693883.db2.gz PZRABIXBERAIIF-WDEREUQCSA-N 0 3 338.383 2.166 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1COc1ccccc1 ZINC000090549147 462796453 /nfs/dbraw/zinc/79/64/53/462796453.db2.gz MGJHAARYGKTBQA-INIZCTEOSA-N 0 3 343.383 2.300 20 5 EEBDHN C[C@@H]1CCN(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248827 468320470 /nfs/dbraw/zinc/32/04/70/468320470.db2.gz UYUAUUPNMRIALC-RHSMWYFYSA-N 0 3 343.431 2.349 20 5 EEBDHN CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000077539509 463002222 /nfs/dbraw/zinc/00/22/22/463002222.db2.gz ONRUHTNAQSIROQ-UHFFFAOYSA-N 0 3 345.403 2.465 20 5 EEBDHN O=[N+]([O-])c1ccccc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000071887010 463456694 /nfs/dbraw/zinc/45/66/94/463456694.db2.gz RGDJGXKPUBEDQP-INIZCTEOSA-N 0 3 327.384 2.426 20 5 EEBDHN CCc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000081935571 463504908 /nfs/dbraw/zinc/50/49/08/463504908.db2.gz BXEPJWUACXPZGM-UHFFFAOYSA-N 0 3 331.376 2.168 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000043884543 463660909 /nfs/dbraw/zinc/66/09/09/463660909.db2.gz ILCQMJROOCZVSW-AWEZNQCLSA-N 0 3 349.435 2.038 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000170713101 463698623 /nfs/dbraw/zinc/69/86/23/463698623.db2.gz DAHQWHLJYLVXQQ-BBRMVZONSA-N 0 3 332.404 2.092 20 5 EEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178177221 463856812 /nfs/dbraw/zinc/85/68/12/463856812.db2.gz MTKZTRZQXWOIPZ-LBPRGKRZSA-N 0 3 334.420 2.417 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000287297099 463862110 /nfs/dbraw/zinc/86/21/10/463862110.db2.gz MNJWSQUTFJDIPI-ZDUSSCGKSA-N 0 3 331.372 2.140 20 5 EEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185901383 463901556 /nfs/dbraw/zinc/90/15/56/463901556.db2.gz IQTIMMYSOYVFAE-INIZCTEOSA-N 0 3 347.802 2.477 20 5 EEBDHN CCOC(=O)CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178558906 463920718 /nfs/dbraw/zinc/92/07/18/463920718.db2.gz QMGVEGFAXVXXPI-UHFFFAOYSA-N 0 3 337.376 2.117 20 5 EEBDHN O=C1NCCC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590971883 468388072 /nfs/dbraw/zinc/38/80/72/468388072.db2.gz SFMWMHQOZVRATN-ZDUSSCGKSA-N 0 3 329.356 2.471 20 5 EEBDHN COC(=O)CCCN1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000271708098 464367186 /nfs/dbraw/zinc/36/71/86/464367186.db2.gz AGJLSEBFQPKIPB-UHFFFAOYSA-N 0 3 335.404 2.102 20 5 EEBDHN O=C([N-][C@@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133541 464491120 /nfs/dbraw/zinc/49/11/20/464491120.db2.gz XKTYFPPSRVWKAA-ZIAGYGMSSA-N 0 3 339.342 2.430 20 5 EEBDHN O=C([N-][C@@H]1CC[N@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133541 464491124 /nfs/dbraw/zinc/49/11/24/464491124.db2.gz XKTYFPPSRVWKAA-ZIAGYGMSSA-N 0 3 339.342 2.430 20 5 EEBDHN CCOC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815600 464552996 /nfs/dbraw/zinc/55/29/96/464552996.db2.gz HDBSRJYIZRAIMG-JKSUJKDBSA-N 0 3 335.404 2.351 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272375441 464583613 /nfs/dbraw/zinc/58/36/13/464583613.db2.gz ROQXYPFZJZOFJP-JTQLQIEISA-N 0 3 349.416 2.013 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000286253477 464854416 /nfs/dbraw/zinc/85/44/16/464854416.db2.gz FBMUABBFPCSYAQ-GOOCMWNKSA-N 0 3 346.431 2.399 20 5 EEBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286479522 464933025 /nfs/dbraw/zinc/93/30/25/464933025.db2.gz UVYMHFFMVYNJSM-MQVJKMGUSA-N 0 3 346.431 2.399 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H](O)CN1CCCCC1 ZINC000276560067 464979416 /nfs/dbraw/zinc/97/94/16/464979416.db2.gz GGXXLUBOCJHONW-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000361073761 465746557 /nfs/dbraw/zinc/74/65/57/465746557.db2.gz MNUKKCNNWCVAGJ-CHWSQXEVSA-N 0 3 339.440 2.421 20 5 EEBDHN CNc1c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125160 465782688 /nfs/dbraw/zinc/78/26/88/465782688.db2.gz VRJSZRYDBODQPS-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000338056215 465786051 /nfs/dbraw/zinc/78/60/51/465786051.db2.gz GKDSBOLMLDBLDY-HIFRSBDPSA-N 0 3 346.431 2.404 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000593993243 468454137 /nfs/dbraw/zinc/45/41/37/468454137.db2.gz FKEFZQYOZMWCCK-SOUVJXGZSA-N 0 3 346.431 2.399 20 5 EEBDHN CN(C(=O)CN1CCC[C@@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348921097 465875197 /nfs/dbraw/zinc/87/51/97/465875197.db2.gz QMXWCZDQOVTEIB-QGZVFWFLSA-N 0 3 347.415 2.449 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181859 465968114 /nfs/dbraw/zinc/96/81/14/465968114.db2.gz BWZGCKUQZFFGSZ-MBNYWOFBSA-N 0 3 349.435 2.073 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181859 465968123 /nfs/dbraw/zinc/96/81/23/465968123.db2.gz BWZGCKUQZFFGSZ-MBNYWOFBSA-N 0 3 349.435 2.073 20 5 EEBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252827 466032760 /nfs/dbraw/zinc/03/27/60/466032760.db2.gz ZGPLTZLGOAEJLU-WOSRLPQWSA-N 0 3 347.415 2.406 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1C ZINC000349805321 466249472 /nfs/dbraw/zinc/24/94/72/466249472.db2.gz XCVQGJAASNTQCR-ZDUSSCGKSA-N 0 3 343.449 2.219 20 5 EEBDHN CCN1CCC(N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000340681005 466260672 /nfs/dbraw/zinc/26/06/72/466260672.db2.gz ZDLVFNUDVVQWOZ-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000354007559 466322857 /nfs/dbraw/zinc/32/28/57/466322857.db2.gz QNJOOFWYIYIYMI-ZDUSSCGKSA-N 0 3 330.388 2.102 20 5 EEBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C3CCN(C4CC4)CC3)n2)n1C ZINC000347142903 466426609 /nfs/dbraw/zinc/42/66/09/466426609.db2.gz QMJSAJXFNJGQMG-UHFFFAOYSA-N 0 3 332.364 2.029 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000424039031 466960694 /nfs/dbraw/zinc/96/06/94/466960694.db2.gz MSIYQGDKXKMWFR-DOTOQJQBSA-N 0 3 343.358 2.230 20 5 EEBDHN N[C@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000424072434 466971677 /nfs/dbraw/zinc/97/16/77/466971677.db2.gz GHYSBYBBXZEJDO-AWEZNQCLSA-N 0 3 340.383 2.313 20 5 EEBDHN N[C@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000424081466 466975382 /nfs/dbraw/zinc/97/53/82/466975382.db2.gz VOLMMQUXLKSYGK-HNNXBMFYSA-N 0 3 325.368 2.444 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3cccnn3)CC2)c(F)c1 ZINC000428562662 467247264 /nfs/dbraw/zinc/24/72/64/467247264.db2.gz GOZOSJMRMHUKML-UHFFFAOYSA-N 0 3 331.351 2.283 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452016034 467305243 /nfs/dbraw/zinc/30/52/43/467305243.db2.gz NBQAOMXNABODPR-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@@H]1OC ZINC000414177310 467386094 /nfs/dbraw/zinc/38/60/94/467386094.db2.gz FZXOLFWCEAAEQD-BZPMIXESSA-N 0 3 326.418 2.469 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414504183 467416314 /nfs/dbraw/zinc/41/63/14/467416314.db2.gz XOPTUORHCHXKQX-JQWIXIFHSA-N 0 3 340.401 2.130 20 5 EEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2n[nH]c(C3CC3)n2)n1 ZINC000453271034 467475144 /nfs/dbraw/zinc/47/51/44/467475144.db2.gz FYCWNPCUPQHXKG-NEPJUHHUSA-N 0 3 331.380 2.060 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CNCCO2)s1 ZINC000415095320 467488339 /nfs/dbraw/zinc/48/83/39/467488339.db2.gz LXRCOQPIDBAVQL-LBPRGKRZSA-N 0 3 333.413 2.401 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCc1ccco1 ZINC000449225837 467624417 /nfs/dbraw/zinc/62/44/17/467624417.db2.gz PIERYZUPTKLEJG-STQMWFEESA-N 0 3 331.372 2.413 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)cc1OC(F)F ZINC000450610736 467878759 /nfs/dbraw/zinc/87/87/59/467878759.db2.gz HECFKRPRWPPENR-GFCCVEGCSA-N 0 3 345.346 2.455 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494204375 468036850 /nfs/dbraw/zinc/03/68/50/468036850.db2.gz JDKCRBGFWMHULT-MEDUHNTESA-N 0 3 337.376 2.089 20 5 EEBDHN COc1ccc(OCCN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488020809 468067902 /nfs/dbraw/zinc/06/79/02/468067902.db2.gz CKMAPMYDYKELAV-MRXNPFEDSA-N 0 3 337.420 2.254 20 5 EEBDHN COCCSCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488235698 468078531 /nfs/dbraw/zinc/07/85/31/468078531.db2.gz VRUSRCRLNSPCRB-ZDUSSCGKSA-N 0 3 340.449 2.246 20 5 EEBDHN C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000517622842 468091118 /nfs/dbraw/zinc/09/11/18/468091118.db2.gz NCJRABLXIUOLPT-MGPQQGTHSA-N 0 3 335.404 2.351 20 5 EEBDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549773216 468196490 /nfs/dbraw/zinc/19/64/90/468196490.db2.gz LTXYDAYRVMFFNI-UHFFFAOYSA-N 0 3 335.408 2.094 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594200396 468510592 /nfs/dbraw/zinc/51/05/92/468510592.db2.gz LSDWZZMCLQUUMR-HUUCEWRRSA-N 0 3 347.415 2.497 20 5 EEBDHN CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000591968838 468586157 /nfs/dbraw/zinc/58/61/57/468586157.db2.gz GXTOWSUNUAKQSW-HNNXBMFYSA-N 0 3 334.420 2.263 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594598712 468631523 /nfs/dbraw/zinc/63/15/23/468631523.db2.gz HQEZMEYAVPPOIY-HOTGVXAUSA-N 0 3 332.404 2.383 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN([C@H]2CCOC2)CC1 ZINC000594993309 468740002 /nfs/dbraw/zinc/74/00/02/468740002.db2.gz NTBBZSJXBHAZTA-KRWDZBQOSA-N 0 3 349.431 2.336 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598265377 468811520 /nfs/dbraw/zinc/81/15/20/468811520.db2.gz SNRMDDSWZJMPHU-GFCCVEGCSA-N 0 3 337.424 2.121 20 5 EEBDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053203 468852594 /nfs/dbraw/zinc/85/25/94/468852594.db2.gz QENYCUQXQWEFGN-NVXWUHKLSA-N 0 3 338.404 2.224 20 5 EEBDHN CC(C)Oc1cc(C(=O)N2CCN[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598571222 468918202 /nfs/dbraw/zinc/91/82/02/468918202.db2.gz HZDSSVJEGIIFKI-AWEZNQCLSA-N 0 3 335.404 2.452 20 5 EEBDHN COC1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000610573513 469007081 /nfs/dbraw/zinc/00/70/81/469007081.db2.gz UBQKQXOFUZLBNQ-UHFFFAOYSA-N 0 3 348.403 2.002 20 5 EEBDHN Cc1ncc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969438 469117948 /nfs/dbraw/zinc/11/79/48/469117948.db2.gz RBSHZDXGMRQFBT-ZWNOBZJWSA-N 0 3 337.401 2.450 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCCN2CCC(O)CC2)c1 ZINC000596084511 469147085 /nfs/dbraw/zinc/14/70/85/469147085.db2.gz AJSNRKNSEXRQRN-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960754 469192114 /nfs/dbraw/zinc/19/21/14/469192114.db2.gz PDFSUEVFGTWPRC-UHFFFAOYSA-N 0 3 335.408 2.060 20 5 EEBDHN CCCN(CCN1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232613 469214999 /nfs/dbraw/zinc/21/49/99/469214999.db2.gz QSYLKPVYJWVKDY-UHFFFAOYSA-N 0 3 334.420 2.396 20 5 EEBDHN CC(C)CC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602475951 469331779 /nfs/dbraw/zinc/33/17/79/469331779.db2.gz UKZXELZRPDXZHQ-MRXNPFEDSA-N 0 3 334.420 2.007 20 5 EEBDHN Cc1nn(CCCN2CCN(C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603327756 469349280 /nfs/dbraw/zinc/34/92/80/469349280.db2.gz RCIVKDZRQDKAGM-UHFFFAOYSA-N 0 3 346.435 2.064 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@@H]4CCCOC4)CC3)nc2c1 ZINC000614185849 469873454 /nfs/dbraw/zinc/87/34/54/469873454.db2.gz PADXNJIAWRMVCS-CQSZACIVSA-N 0 3 345.403 2.162 20 5 EEBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000610336854 470004837 /nfs/dbraw/zinc/00/48/37/470004837.db2.gz PFFJTTFCNPBZDG-MBNYWOFBSA-N 0 3 326.418 2.160 20 5 EEBDHN CSC1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000601587914 485632945 /nfs/dbraw/zinc/63/29/45/485632945.db2.gz HUQMRQRJWATDQD-UHFFFAOYSA-N 0 3 341.408 2.291 20 5 EEBDHN CNC(=O)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264943733 536490102 /nfs/dbraw/zinc/49/01/02/536490102.db2.gz HPCLBUVTNZBULO-UHFFFAOYSA-N 0 3 334.401 2.334 20 5 EEBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000183330709 529151578 /nfs/dbraw/zinc/15/15/78/529151578.db2.gz YOAKQRWELATFQE-GOSISDBHSA-N 0 3 332.448 2.115 20 5 EEBDHN CC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181228636 529157098 /nfs/dbraw/zinc/15/70/98/529157098.db2.gz OGPHYXGMYVUJOY-CQSZACIVSA-N 0 3 326.418 2.460 20 5 EEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2c1cnn2C ZINC000776591683 577463587 /nfs/dbraw/zinc/46/35/87/577463587.db2.gz UGLJOGORCSHARQ-DOTOQJQBSA-N 0 3 330.388 2.371 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744414606 577897406 /nfs/dbraw/zinc/89/74/06/577897406.db2.gz SLPFWQAYNAGANS-HNNXBMFYSA-N 0 3 332.404 2.252 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000736137192 578182707 /nfs/dbraw/zinc/18/27/07/578182707.db2.gz IREDYSWYZKWSLY-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000736137192 578182708 /nfs/dbraw/zinc/18/27/08/578182708.db2.gz IREDYSWYZKWSLY-JTQLQIEISA-N 0 3 333.396 2.163 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001021774776 676434623 /nfs/dbraw/zinc/43/46/23/676434623.db2.gz VOLRYPULNLEOGQ-GASCZTMLSA-N 0 3 326.356 2.040 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC(F)(F)C1 ZINC001021950109 676560136 /nfs/dbraw/zinc/56/01/36/676560136.db2.gz OIXMVGOGCKCBDO-BETUJISGSA-N 0 3 339.342 2.377 20 5 EEBDHN COCCN(C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000311904076 682863265 /nfs/dbraw/zinc/86/32/65/682863265.db2.gz QYPIRYFIPIPYSR-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1 ZINC001029303526 683934979 /nfs/dbraw/zinc/93/49/79/683934979.db2.gz QOCJLAMFKQXUMZ-HDCSCYFTSA-N 0 3 341.411 2.040 20 5 EEBDHN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930655128 684328207 /nfs/dbraw/zinc/32/82/07/684328207.db2.gz NTBUSZVTTKFNHT-UONOGXRCSA-N 0 3 327.425 2.232 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001059688278 688142469 /nfs/dbraw/zinc/14/24/69/688142469.db2.gz TXAZRCRHZGUFPL-TXEJJXNPSA-N 0 3 347.350 2.067 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc3c2OCC3)c1 ZINC000905617223 1189820013 /nfs/dbraw/zinc/82/00/13/1189820013.db2.gz OOQARHQHELTJBI-MRXNPFEDSA-N 0 3 344.367 2.059 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C2CCCC2)CC1 ZINC001034579664 1196401827 /nfs/dbraw/zinc/40/18/27/1196401827.db2.gz BNVOSFDXCKIUKU-HDJSIYSDSA-N 0 3 349.435 2.036 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000876688348 1199723130 /nfs/dbraw/zinc/72/31/30/1199723130.db2.gz ROYFVCYKBFYDTA-ZWKOTPCHSA-N 0 3 333.432 2.243 20 5 EEBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877343456 1199908373 /nfs/dbraw/zinc/90/83/73/1199908373.db2.gz YELGFKCSEXADIY-HNNXBMFYSA-N 0 3 343.358 2.487 20 5 EEBDHN COc1ccc([C@@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CCN2)cc1 ZINC000879522165 1201118957 /nfs/dbraw/zinc/11/89/57/1201118957.db2.gz GJCCGPODMFCFEW-AWEZNQCLSA-N 0 3 332.360 2.046 20 5 EEBDHN COc1ccc([C@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CCN2)cc1 ZINC000879522167 1201119407 /nfs/dbraw/zinc/11/94/07/1201119407.db2.gz GJCCGPODMFCFEW-CQSZACIVSA-N 0 3 332.360 2.046 20 5 EEBDHN CC(COC(=O)C1CCN(c2nc3ccccc3o2)CC1)[N+](=O)[O-] ZINC000813110864 1201121791 /nfs/dbraw/zinc/12/17/91/1201121791.db2.gz KXNLFGCNTAHPFS-LLVKDONJSA-N 0 3 333.344 2.253 20 5 EEBDHN COc1ccc(CN(CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000880571142 1201526081 /nfs/dbraw/zinc/52/60/81/1201526081.db2.gz MCOIPTFTSZRFGT-SFHVURJKSA-N 0 3 346.383 2.131 20 5 EEBDHN Cc1nn(CN2CCN(CC3CC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121111975 1201541929 /nfs/dbraw/zinc/54/19/29/1201541929.db2.gz ZHWAYTPJCIPNOW-UHFFFAOYSA-N 0 3 329.404 2.238 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882814456 1201949844 /nfs/dbraw/zinc/94/98/44/1201949844.db2.gz LTCXJWSRFVJUEF-UHFFFAOYSA-N 0 3 346.431 2.213 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001095884659 1213699741 /nfs/dbraw/zinc/69/97/41/1213699741.db2.gz MDRZYCPKSBGMQW-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN CC(C)C[C@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000902544003 1237848968 /nfs/dbraw/zinc/84/89/68/1237848968.db2.gz VIMRHDXBFAASCL-AWEZNQCLSA-N 0 3 348.403 2.122 20 5 EEBDHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048733704 1238465701 /nfs/dbraw/zinc/46/57/01/1238465701.db2.gz BHDIDBIVHVSBRR-CALCHBBNSA-N 0 3 341.411 2.451 20 5 EEBDHN CN(CCCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231175607 1303665938 /nfs/dbraw/zinc/66/59/38/1303665938.db2.gz HTHJSFAARXKCJE-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000798141771 1304926563 /nfs/dbraw/zinc/92/65/63/1304926563.db2.gz RBSZWSRIBALDKO-LBPRGKRZSA-N 0 3 336.348 2.059 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001118736625 1308935848 /nfs/dbraw/zinc/93/58/48/1308935848.db2.gz XGDQGDGSXVJBKB-NSHDSACASA-N 0 3 336.348 2.026 20 5 EEBDHN O=C(CCOc1ccccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150923129 1316410867 /nfs/dbraw/zinc/41/08/67/1316410867.db2.gz PGPXWWJSSSALGH-UHFFFAOYSA-N 0 3 343.383 2.270 20 5 EEBDHN COC(=O)c1ccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254586641 1318135068 /nfs/dbraw/zinc/13/50/68/1318135068.db2.gz REZQDICJGSQAEV-OAHLLOKOSA-N 0 3 327.340 2.033 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C2 ZINC001254592673 1318137190 /nfs/dbraw/zinc/13/71/90/1318137190.db2.gz FNMRXVYNIKAPJE-XBFCOCLRSA-N 0 3 330.306 2.165 20 5 EEBDHN O=C1CCCN1C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607720 1318142468 /nfs/dbraw/zinc/14/24/68/1318142468.db2.gz MOHJJJYWWJOXEX-KRWDZBQOSA-N 0 3 329.400 2.149 20 5 EEBDHN COc1cc(N2CCC(N3CCCC34COC4)CC2)ccc1[N+](=O)[O-] ZINC001256098650 1318647223 /nfs/dbraw/zinc/64/72/23/1318647223.db2.gz CJOISELXEKXTLS-UHFFFAOYSA-N 0 3 347.415 2.437 20 5 EEBDHN CN1CCN(CCCNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)CC1 ZINC001161705457 1320594707 /nfs/dbraw/zinc/59/47/07/1320594707.db2.gz IHWZEFXGQULMJN-UHFFFAOYSA-N 0 3 347.394 2.332 20 5 EEBDHN Cc1c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])ccn1C ZINC001166163272 1321667061 /nfs/dbraw/zinc/66/70/61/1321667061.db2.gz AQNYKMJPEDWDPG-UHFFFAOYSA-N 0 3 330.388 2.151 20 5 EEBDHN CCOC(=O)[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC12COC2 ZINC001308927042 1331609828 /nfs/dbraw/zinc/60/98/28/1331609828.db2.gz GGKJLXFVBZTPGP-HNNXBMFYSA-N 0 3 348.399 2.223 20 5 EEBDHN CCN(CCC[NH+]1CCCC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590692668 1349392416 /nfs/dbraw/zinc/39/24/16/1349392416.db2.gz HHMHOBCZWDWBCV-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN CCN(CCC[NH+]1CCCC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590692668 1349392422 /nfs/dbraw/zinc/39/24/22/1349392422.db2.gz HHMHOBCZWDWBCV-UHFFFAOYSA-N 0 3 345.407 2.087 20 5 EEBDHN CO[C@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605015719 1351056139 /nfs/dbraw/zinc/05/61/39/1351056139.db2.gz ORSHQVRCMCJADG-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605015719 1351056142 /nfs/dbraw/zinc/05/61/42/1351056142.db2.gz ORSHQVRCMCJADG-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N(C)C ZINC001116039756 1371718642 /nfs/dbraw/zinc/71/86/42/1371718642.db2.gz UGDOWWVBPLSICX-TZMCWYRMSA-N 0 3 341.433 2.054 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000846615165 790281075 /nfs/dbraw/zinc/28/10/75/790281075.db2.gz XQRIDYLXSBPNIJ-UHFFFAOYSA-N 0 3 349.416 2.157 20 5 EEBDHN COc1cc(C(=O)O[C@@H](C)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000845672780 789917037 /nfs/dbraw/zinc/91/70/37/789917037.db2.gz QTGSBKINAMPLFA-NSHDSACASA-N 0 3 338.360 2.253 20 5 EEBDHN COC(=O)C[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875910 789971877 /nfs/dbraw/zinc/97/18/77/789971877.db2.gz LTPBBABWWVLPDC-PKFCDNJMSA-N 0 3 327.308 2.274 20 5 EEBDHN CCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845873992 789971854 /nfs/dbraw/zinc/97/18/54/789971854.db2.gz FTPDZHSPFUDEAT-HZMBPMFUSA-N 0 3 336.323 2.391 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN([C@@H]3CCOC3)CC1)CC2 ZINC001172907474 797133409 /nfs/dbraw/zinc/13/34/09/797133409.db2.gz FHKMPCJUPCHGRS-IEBWSBKVSA-N 0 3 345.443 2.249 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001095228594 797551683 /nfs/dbraw/zinc/55/16/83/797551683.db2.gz LWKSCCSGLMAPEH-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN COc1ccc(C[C@@H](C)NCc2ccnc(OC)n2)c([N+](=O)[O-])c1 ZINC001170304442 809874187 /nfs/dbraw/zinc/87/41/87/809874187.db2.gz BUXUTPATLDPEAE-LLVKDONJSA-N 0 3 332.360 2.123 20 5 EEBDHN CCOC(=O)[C@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345024 809915987 /nfs/dbraw/zinc/91/59/87/809915987.db2.gz GLNDUYMURQXPLI-OCCSQVGLSA-N 0 3 336.388 2.419 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1F ZINC001129915278 811028159 /nfs/dbraw/zinc/02/81/59/811028159.db2.gz ITJXRADJIIPTQK-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN CCCc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccn1 ZINC001129939092 811035866 /nfs/dbraw/zinc/03/58/66/811035866.db2.gz MRMLYYPOEOFCBR-UHFFFAOYSA-N 0 3 342.399 2.462 20 5 EEBDHN CCc1cncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001131368056 812726362 /nfs/dbraw/zinc/72/63/62/812726362.db2.gz GBRCIDJIBFUYPX-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1cc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001131560280 812970559 /nfs/dbraw/zinc/97/05/59/812970559.db2.gz GQHMFXKKYACAHF-UHFFFAOYSA-N 0 3 342.399 2.435 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055757382 214341178 /nfs/dbraw/zinc/34/11/78/214341178.db2.gz ZQFXNNLMCIWZFI-FRRDWIJNSA-N 0 3 334.420 2.394 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000164071928 529808601 /nfs/dbraw/zinc/80/86/01/529808601.db2.gz JJTXGZNCAIYPSP-YGRLFVJLSA-N 0 3 339.342 2.429 20 5 EEBDHN Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184184534 235326701 /nfs/dbraw/zinc/32/67/01/235326701.db2.gz XNEFMOTXKOUPIA-UHFFFAOYSA-N 0 3 348.447 2.049 20 5 EEBDHN Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184195440 235329156 /nfs/dbraw/zinc/32/91/56/235329156.db2.gz UPCGFKPHGATOBQ-UHFFFAOYSA-N 0 3 348.447 2.049 20 5 EEBDHN CCc1ccccc1[C@H](N)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423986119 240772557 /nfs/dbraw/zinc/77/25/57/240772557.db2.gz VRNSVUHTWVINGL-QGZVFWFLSA-N 0 3 343.383 2.352 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447813712 242319358 /nfs/dbraw/zinc/31/93/58/242319358.db2.gz XELNHXFREZRNCO-ZBFHGGJFSA-N 0 3 348.447 2.322 20 5 EEBDHN C[C@@H]1C[C@@H](O)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065092 243340411 /nfs/dbraw/zinc/34/04/11/243340411.db2.gz BHWWJSZDPJWYMZ-IUODEOHRSA-N 0 3 331.372 2.495 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772187 245243659 /nfs/dbraw/zinc/24/36/59/245243659.db2.gz SBSNARMRFKKJPA-CVEARBPZSA-N 0 3 345.399 2.031 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000111249177 220123905 /nfs/dbraw/zinc/12/39/05/220123905.db2.gz JUIAAUWSUNHEIM-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000266377028 248271995 /nfs/dbraw/zinc/27/19/95/248271995.db2.gz MMLQWDDPHUYGAY-UHFFFAOYSA-N 0 3 334.376 2.449 20 5 EEBDHN Cc1cccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519629 248342337 /nfs/dbraw/zinc/34/23/37/248342337.db2.gz COCJKZXDCSQYFY-DLBZAZTESA-N 0 3 330.388 2.298 20 5 EEBDHN C[C@@H]1SCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000112645273 220362478 /nfs/dbraw/zinc/36/24/78/220362478.db2.gz YFMZUQWCTUSOLK-OBJOEFQTSA-N 0 3 326.418 2.160 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084134385 285189346 /nfs/dbraw/zinc/18/93/46/285189346.db2.gz MXFKPVFKYJHCNJ-MRXNPFEDSA-N 0 3 330.388 2.125 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141070 256118358 /nfs/dbraw/zinc/11/83/58/256118358.db2.gz DFDBIZPQNBUVSO-CXAGYDPISA-N 0 3 346.431 2.386 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274031249 256347645 /nfs/dbraw/zinc/34/76/45/256347645.db2.gz NURWSSQCMNVCLN-NXEZZACHSA-N 0 3 327.768 2.201 20 5 EEBDHN CC(C)OCCOC[C@@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265310 256369031 /nfs/dbraw/zinc/36/90/31/256369031.db2.gz YIYFMBCPMTYPIS-PBHICJAKSA-N 0 3 340.420 2.390 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119573307 292246651 /nfs/dbraw/zinc/24/66/51/292246651.db2.gz UPCNIJNWROWENO-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000128694745 292345923 /nfs/dbraw/zinc/34/59/23/292345923.db2.gz VUEYZBQGJMNBHY-UHFFFAOYSA-N 0 3 343.387 2.334 20 5 EEBDHN CC(C)CC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015394 159191008 /nfs/dbraw/zinc/19/10/08/159191008.db2.gz PVDKQXYOWFCHMA-CYBMUJFWSA-N 0 3 343.449 2.287 20 5 EEBDHN C[C@@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCN1C ZINC000343607598 161150911 /nfs/dbraw/zinc/15/09/11/161150911.db2.gz VAJZXVZRNPZAHW-RISCZKNCSA-N 0 3 332.404 2.382 20 5 EEBDHN COC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000343694802 161159795 /nfs/dbraw/zinc/15/97/95/161159795.db2.gz PSZSJBJUYNCHOB-UHFFFAOYSA-N 0 3 335.360 2.004 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474668 161231468 /nfs/dbraw/zinc/23/14/68/161231468.db2.gz XPMCCNQELKKVOY-IPOQPSJVSA-N 0 3 347.415 2.349 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000344750423 161242857 /nfs/dbraw/zinc/24/28/57/161242857.db2.gz VHQZPHJMDXNUFA-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN CCOC(=O)C(C)(C)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352464230 162144373 /nfs/dbraw/zinc/14/43/73/162144373.db2.gz QPVLCKOOLLRJIP-UHFFFAOYSA-N 0 3 338.408 2.093 20 5 EEBDHN O=C(N1CC[C@@H](N2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368093314 166049970 /nfs/dbraw/zinc/04/99/70/166049970.db2.gz NIDFGBJQPHXUQA-CQSZACIVSA-N 0 3 339.342 2.383 20 5 EEBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000360849446 164390227 /nfs/dbraw/zinc/39/02/27/164390227.db2.gz MBMRIWRKWMTIFC-INIZCTEOSA-N 0 3 343.431 2.425 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042633 268779663 /nfs/dbraw/zinc/77/96/63/268779663.db2.gz SIUOQBSNLTWIEB-RKLWJJNISA-N 0 3 345.399 2.469 20 5 EEBDHN CSCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274827396 269059068 /nfs/dbraw/zinc/05/90/68/269059068.db2.gz LFHGFOVKZOSZBG-UHFFFAOYSA-N 0 3 335.433 2.346 20 5 EEBDHN Cc1cc(OCC(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280426308 269361246 /nfs/dbraw/zinc/36/12/46/269361246.db2.gz BWYDTFXQNWVBRV-UHFFFAOYSA-N 0 3 335.404 2.082 20 5 EEBDHN CO[C@@](C)([C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961536 274072868 /nfs/dbraw/zinc/07/28/68/274072868.db2.gz ANTOBBRAIBBYKS-SGTLLEGYSA-N 0 3 347.415 2.277 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280770953 274598275 /nfs/dbraw/zinc/59/82/75/274598275.db2.gz YYSPNWQEINKYDJ-NSHDSACASA-N 0 3 343.786 2.482 20 5 EEBDHN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CNCCO3)c1[N+](=O)[O-] ZINC000290992067 275258684 /nfs/dbraw/zinc/25/86/84/275258684.db2.gz ALUQYEPVDLGMOO-UHFFFAOYSA-N 0 3 345.359 2.005 20 5 EEBDHN CCCc1[n-]nc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC000290992067 275258685 /nfs/dbraw/zinc/25/86/85/275258685.db2.gz ALUQYEPVDLGMOO-UHFFFAOYSA-N 0 3 345.359 2.005 20 5 EEBDHN COCCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291126082 275273166 /nfs/dbraw/zinc/27/31/66/275273166.db2.gz HQHRFVDHFOWEFY-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000294006236 293348411 /nfs/dbraw/zinc/34/84/11/293348411.db2.gz XSZGQUQFBOKPFK-KRWDZBQOSA-N 0 3 328.372 2.244 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CCC(O)CC2)o1 ZINC000294872275 293567908 /nfs/dbraw/zinc/56/79/08/293567908.db2.gz PJGVOMJIVJUJDJ-UHFFFAOYSA-N 0 3 345.399 2.401 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086983 302049637 /nfs/dbraw/zinc/04/96/37/302049637.db2.gz ZJLQIWBUVKUPQJ-STQMWFEESA-N 0 3 341.433 2.054 20 5 EEBDHN COc1cccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332093966 311948204 /nfs/dbraw/zinc/94/82/04/311948204.db2.gz WNEZUCVZNFCEID-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN CO[C@@](C)([C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973231 312593638 /nfs/dbraw/zinc/59/36/38/312593638.db2.gz RJCYFEVJPVSOBF-PXAZEXFGSA-N 0 3 335.404 2.351 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000447063653 315366472 /nfs/dbraw/zinc/36/64/72/315366472.db2.gz OLOVHOVVMAHRDY-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CCCCN(CCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000182155996 323366321 /nfs/dbraw/zinc/36/63/21/323366321.db2.gz UJSTXGCLFNUNTJ-INIZCTEOSA-N 0 3 335.404 2.185 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160511 465099021 /nfs/dbraw/zinc/09/90/21/465099021.db2.gz KMISOORIISVWRA-HZPDHXFCSA-N 0 3 347.415 2.495 20 5 EEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339130857 465099744 /nfs/dbraw/zinc/09/97/44/465099744.db2.gz FRQLARXXPNMKAE-INIZCTEOSA-N 0 3 348.378 2.171 20 5 EEBDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296302777 465149037 /nfs/dbraw/zinc/14/90/37/465149037.db2.gz PJDSUKHBDMNMKQ-HUUCEWRRSA-N 0 3 335.404 2.375 20 5 EEBDHN Cc1nc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645233 462702357 /nfs/dbraw/zinc/70/23/57/462702357.db2.gz MBSPYIHKLPQORN-HOTGVXAUSA-N 0 3 342.399 2.346 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000064724137 462717147 /nfs/dbraw/zinc/71/71/47/462717147.db2.gz CXTXOJNLKXFTKK-VHSXEESVSA-N 0 3 329.784 2.082 20 5 EEBDHN COC(=O)CC1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000154498657 462775159 /nfs/dbraw/zinc/77/51/59/462775159.db2.gz AXIBFEHZZHJEPC-UHFFFAOYSA-N 0 3 342.779 2.450 20 5 EEBDHN COc1ccccc1C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550916 462797162 /nfs/dbraw/zinc/79/71/62/462797162.db2.gz HFNSNDFGNMLSGG-CQSZACIVSA-N 0 3 345.399 2.328 20 5 EEBDHN CN(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000065857661 462833771 /nfs/dbraw/zinc/83/37/71/462833771.db2.gz VNDDQZLAIHZKJV-KRWDZBQOSA-N 0 3 342.399 2.426 20 5 EEBDHN CN(C)Cc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000065866312 462834671 /nfs/dbraw/zinc/83/46/71/462834671.db2.gz RLGQOVVCKJVVMI-UHFFFAOYSA-N 0 3 342.399 2.385 20 5 EEBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000051538292 463040272 /nfs/dbraw/zinc/04/02/72/463040272.db2.gz XEGWBFYQMHPCDK-LBPRGKRZSA-N 0 3 325.796 2.407 20 5 EEBDHN Cc1cc(OCC(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000026332400 463158229 /nfs/dbraw/zinc/15/82/29/463158229.db2.gz GCTWXCOAXKZZLG-UHFFFAOYSA-N 0 3 333.388 2.025 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000069857740 463341195 /nfs/dbraw/zinc/34/11/95/463341195.db2.gz YYBYSHVEXWUAHI-HNNXBMFYSA-N 0 3 349.431 2.148 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151972820 463624418 /nfs/dbraw/zinc/62/44/18/463624418.db2.gz AQYLEYPJLOXBAM-ZANVPECISA-N 0 3 327.331 2.285 20 5 EEBDHN CCCCN(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000112309658 463697728 /nfs/dbraw/zinc/69/77/28/463697728.db2.gz HYCUMTOTDWYBAQ-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(C2CC2)CC1 ZINC000286847328 463723059 /nfs/dbraw/zinc/72/30/59/463723059.db2.gz YOWRTFGBZWAQGW-UHFFFAOYSA-N 0 3 346.431 2.406 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286904992 463739853 /nfs/dbraw/zinc/73/98/53/463739853.db2.gz COFRYQOXINUJIL-SWLSCSKDSA-N 0 3 333.388 2.302 20 5 EEBDHN CC1(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000268459016 463751728 /nfs/dbraw/zinc/75/17/28/463751728.db2.gz KFHQGMKWRMTAAX-UHFFFAOYSA-N 0 3 336.388 2.449 20 5 EEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185851009 463890561 /nfs/dbraw/zinc/89/05/61/463890561.db2.gz KFKQERVGYBQKNO-ZDUSSCGKSA-N 0 3 341.433 2.090 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000523286059 468386329 /nfs/dbraw/zinc/38/63/29/468386329.db2.gz YAELFJMWGDFUEU-CQSZACIVSA-N 0 3 332.404 2.337 20 5 EEBDHN CC1(C)CCCN[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262301025 463995361 /nfs/dbraw/zinc/99/53/61/463995361.db2.gz XLYRHKJTSXWPQH-MRXNPFEDSA-N 0 3 346.431 2.022 20 5 EEBDHN CCO[C@H]1C[C@@](N)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721576 464058008 /nfs/dbraw/zinc/05/80/08/464058008.db2.gz PADQDORAOJOSRA-WMLDXEAASA-N 0 3 335.404 2.086 20 5 EEBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cnn(C)c1 ZINC000195518851 464067433 /nfs/dbraw/zinc/06/74/33/464067433.db2.gz MVSJFDXOUZJVQN-UHFFFAOYSA-N 0 3 345.403 2.487 20 5 EEBDHN C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000269989207 464150677 /nfs/dbraw/zinc/15/06/77/464150677.db2.gz QUBFMJWQGCFWEI-QMMMGPOBSA-N 0 3 345.197 2.429 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000281071478 464321530 /nfs/dbraw/zinc/32/15/30/464321530.db2.gz ZXCBGAYYQHEOPM-GFCCVEGCSA-N 0 3 333.388 2.208 20 5 EEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000264450461 464330920 /nfs/dbraw/zinc/33/09/20/464330920.db2.gz GMFVKAAYLXVBRE-ZDUSSCGKSA-N 0 3 332.404 2.186 20 5 EEBDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180631635 464354232 /nfs/dbraw/zinc/35/42/32/464354232.db2.gz FPUUOFNLAVKAKJ-GFCCVEGCSA-N 0 3 329.784 2.183 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCNCc1cccnc1 ZINC000238067218 464427446 /nfs/dbraw/zinc/42/74/46/464427446.db2.gz GECPBJDUHPURAN-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN CC(C)(CCC(=O)NCCCN1CCc2ccccc2C1)[N+](=O)[O-] ZINC000294324844 464467625 /nfs/dbraw/zinc/46/76/25/464467625.db2.gz KGOURPALTXELJJ-UHFFFAOYSA-N 0 3 333.432 2.387 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294364102 464479601 /nfs/dbraw/zinc/47/96/01/464479601.db2.gz ZCHZLGWESDWBDB-SFHVURJKSA-N 0 3 346.431 2.341 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000189441240 464504808 /nfs/dbraw/zinc/50/48/08/464504808.db2.gz KNDGGRPWCUPJCG-AWEZNQCLSA-N 0 3 336.436 2.289 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294515561 464523111 /nfs/dbraw/zinc/52/31/11/464523111.db2.gz HUJRDXGNARSSTD-OAHLLOKOSA-N 0 3 333.388 2.110 20 5 EEBDHN Cc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000281645547 464533405 /nfs/dbraw/zinc/53/34/05/464533405.db2.gz VXKUDCRJVFRZOD-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN CC(=O)c1ccc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281754842 464573398 /nfs/dbraw/zinc/57/33/98/464573398.db2.gz YEEJPAJKDSJVOV-UHFFFAOYSA-N 0 3 334.420 2.235 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265567569 464603601 /nfs/dbraw/zinc/60/36/01/464603601.db2.gz UKMFILOBQDKPAG-GFCCVEGCSA-N 0 3 341.843 2.329 20 5 EEBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408575 464647050 /nfs/dbraw/zinc/64/70/50/464647050.db2.gz XVUGTLPWFCMIJE-DOMZBBRYSA-N 0 3 332.356 2.391 20 5 EEBDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248465364 464756856 /nfs/dbraw/zinc/75/68/56/464756856.db2.gz RPPGQIFDFAEPST-RWMBFGLXSA-N 0 3 326.418 2.160 20 5 EEBDHN CO[C@@]1(C)CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000348239935 465506513 /nfs/dbraw/zinc/50/65/13/465506513.db2.gz QBDAZZCVJRODPJ-KRWDZBQOSA-N 0 3 349.387 2.394 20 5 EEBDHN C[C@H](NCCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000337799370 465589982 /nfs/dbraw/zinc/58/99/82/465589982.db2.gz HJPAYHXHHZJAIP-ZDUSSCGKSA-N 0 3 338.371 2.464 20 5 EEBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000299143339 465622973 /nfs/dbraw/zinc/62/29/73/465622973.db2.gz ASHMTOFZPSHGCV-CJNGLKHVSA-N 0 3 349.431 2.266 20 5 EEBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353107157 465643778 /nfs/dbraw/zinc/64/37/78/465643778.db2.gz NMTQUVGWMPVHKB-OAHLLOKOSA-N 0 3 343.449 2.240 20 5 EEBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)c(OCC[NH+](C)C)c1 ZINC000349420099 466104254 /nfs/dbraw/zinc/10/42/54/466104254.db2.gz QFGLOIMCNXVKJN-UHFFFAOYSA-N 0 3 332.360 2.424 20 5 EEBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(OCCN(C)C)c1 ZINC000349420099 466104259 /nfs/dbraw/zinc/10/42/59/466104259.db2.gz QFGLOIMCNXVKJN-UHFFFAOYSA-N 0 3 332.360 2.424 20 5 EEBDHN Cc1c(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330664 466308302 /nfs/dbraw/zinc/30/83/02/466308302.db2.gz HQIAYRIFCXAVKN-MAUKXSAKSA-N 0 3 346.475 2.361 20 5 EEBDHN CN1CCC[C@H](N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472741 466364122 /nfs/dbraw/zinc/36/41/22/466364122.db2.gz UREYHTSPRSQEDE-UKTKYZJWSA-N 0 3 344.459 2.320 20 5 EEBDHN CC(C)(C)OC(=O)[C@@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000362106240 466560324 /nfs/dbraw/zinc/56/03/24/466560324.db2.gz LKOICGQORQEVMT-KMDWOBIYSA-N 0 3 336.388 2.290 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127159 467020732 /nfs/dbraw/zinc/02/07/32/467020732.db2.gz KWAUNEZJUDDUGU-ZFVVBOAOSA-N 0 3 331.416 2.497 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000412222885 467041803 /nfs/dbraw/zinc/04/18/03/467041803.db2.gz SNQOCOKNJVAVAF-ZJIFWQFVSA-N 0 3 349.456 2.202 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)C1 ZINC000413253573 467197260 /nfs/dbraw/zinc/19/72/60/467197260.db2.gz VLMCGCFFNALLLW-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)C1 ZINC000413253574 467197325 /nfs/dbraw/zinc/19/73/25/467197325.db2.gz VLMCGCFFNALLLW-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN CN1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000413438766 467242729 /nfs/dbraw/zinc/24/27/29/467242729.db2.gz MHYSRWIXHNPYTK-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN COC(=O)Cc1ccc(NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450259961 467811266 /nfs/dbraw/zinc/81/12/66/467811266.db2.gz YWJLZKLSRKHBPY-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1ccc(CC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000532873070 468146523 /nfs/dbraw/zinc/14/65/23/468146523.db2.gz IYVRUHSVTCHXKU-LSDHHAIUSA-N 0 3 347.415 2.089 20 5 EEBDHN CC1(C)CCC[C@@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590192594 468221835 /nfs/dbraw/zinc/22/18/35/468221835.db2.gz TVKIUCWERWTNMG-QGZVFWFLSA-N 0 3 336.388 2.397 20 5 EEBDHN C[C@H]1[C@H](N(C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700571 468644134 /nfs/dbraw/zinc/64/41/34/468644134.db2.gz NQJSBYJGLLQKMF-SWLSCSKDSA-N 0 3 333.388 2.109 20 5 EEBDHN CN1CCCC[C@@H]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000583203057 468661681 /nfs/dbraw/zinc/66/16/81/468661681.db2.gz JHXCPWINRWLHHE-CYBMUJFWSA-N 0 3 332.360 2.286 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000592242241 468662529 /nfs/dbraw/zinc/66/25/29/468662529.db2.gz QOWKGVZVJLIILO-CQSZACIVSA-N 0 3 328.372 2.213 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCS(C)(=O)=O ZINC000595045946 468747908 /nfs/dbraw/zinc/74/79/08/468747908.db2.gz WJMDXHUKSIKFOP-LLVKDONJSA-N 0 3 330.406 2.079 20 5 EEBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000559636275 468749313 /nfs/dbraw/zinc/74/93/13/468749313.db2.gz JEAKYQGNNBUNOP-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595899810 469071484 /nfs/dbraw/zinc/07/14/84/469071484.db2.gz ZMIYEGZAUNBDNY-GUYJKWIASA-N 0 3 334.372 2.281 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000602845957 469112866 /nfs/dbraw/zinc/11/28/66/469112866.db2.gz NWAJMRZQFJVWKW-INIZCTEOSA-N 0 3 334.420 2.381 20 5 EEBDHN Cc1cccc(OC[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562993866 469127430 /nfs/dbraw/zinc/12/74/30/469127430.db2.gz QGGBLAYEBYHKPW-INIZCTEOSA-N 0 3 346.383 2.312 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOC[C@H]1C ZINC000610990797 469132259 /nfs/dbraw/zinc/13/22/59/469132259.db2.gz NPWFWJTUXCZZQV-GFCCVEGCSA-N 0 3 337.376 2.043 20 5 EEBDHN O=C1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1 ZINC000602016657 469146781 /nfs/dbraw/zinc/14/67/81/469146781.db2.gz IPGKTBNMFRRMIN-LLVKDONJSA-N 0 3 331.294 2.372 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000602953691 469187599 /nfs/dbraw/zinc/18/75/99/469187599.db2.gz CJUZJJDYTABODK-UHFFFAOYSA-N 0 3 335.408 2.058 20 5 EEBDHN CN(C)CC1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000615505007 469251036 /nfs/dbraw/zinc/25/10/36/469251036.db2.gz MNZPUTPBMGOELU-UHFFFAOYSA-N 0 3 335.407 2.315 20 5 EEBDHN COCCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599504632 469278354 /nfs/dbraw/zinc/27/83/54/469278354.db2.gz OWXRKNLWOCQXCE-MRXNPFEDSA-N 0 3 338.404 2.083 20 5 EEBDHN CO[C@@]1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602478188 469333176 /nfs/dbraw/zinc/33/31/76/469333176.db2.gz WFZNATDOCKJINP-QGZVFWFLSA-N 0 3 336.388 2.244 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)c3ccccc3)CC2)cn1 ZINC000602547916 469356832 /nfs/dbraw/zinc/35/68/32/469356832.db2.gz UYFKHEUORJVSKD-QGZVFWFLSA-N 0 3 342.399 2.282 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603848404 469436185 /nfs/dbraw/zinc/43/61/85/469436185.db2.gz SCGIBRSBCNXDGW-KRWDZBQOSA-N 0 3 349.431 2.290 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000619543500 469634774 /nfs/dbraw/zinc/63/47/74/469634774.db2.gz XAAVPUGYAUQMOQ-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581052 577463181 /nfs/dbraw/zinc/46/31/81/577463181.db2.gz CZRPIZMVRCZLLY-YOEHRIQHSA-N 0 3 349.431 2.112 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3ccc(O)cc3CC2)cc1 ZINC000776587837 577463399 /nfs/dbraw/zinc/46/33/99/577463399.db2.gz PCDYTDUDCOQQNI-SFHVURJKSA-N 0 3 328.368 2.435 20 5 EEBDHN COc1cccc2c1OC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001059 577655744 /nfs/dbraw/zinc/65/57/44/577655744.db2.gz YFHBIYGZZCZLGN-GDBMZVCRSA-N 0 3 344.367 2.230 20 5 EEBDHN Cc1nn(CN2CC[C@H](C3CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000754779532 577812844 /nfs/dbraw/zinc/81/28/44/577812844.db2.gz XDKNDNXMNIVEQW-AWEZNQCLSA-N 0 3 345.403 2.354 20 5 EEBDHN COc1ccc(OC)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670735 577979604 /nfs/dbraw/zinc/97/96/04/577979604.db2.gz LGGUTEVNDCUCGT-INIZCTEOSA-N 0 3 332.356 2.435 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN(C[C@@H]4CCOC4)CC3)sc2c1 ZINC000750029076 577985881 /nfs/dbraw/zinc/98/58/81/577985881.db2.gz FAROAJDDWVDVEM-LBPRGKRZSA-N 0 3 348.428 2.363 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870422 578125441 /nfs/dbraw/zinc/12/54/41/578125441.db2.gz SXDMDMPRIDKDSH-CQSZACIVSA-N 0 3 336.461 2.086 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821581487 606473748 /nfs/dbraw/zinc/47/37/48/606473748.db2.gz MONWXCBXQCHASO-NWDGAFQWSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821581487 606473750 /nfs/dbraw/zinc/47/37/50/606473750.db2.gz MONWXCBXQCHASO-NWDGAFQWSA-N 0 3 331.380 2.060 20 5 EEBDHN CC(COC(=O)Cc1csc(COc2ccccc2)n1)[N+](=O)[O-] ZINC000870377530 1200643140 /nfs/dbraw/zinc/64/31/40/1200643140.db2.gz QQVGZWQVMXRFEI-NSHDSACASA-N 0 3 336.369 2.473 20 5 EEBDHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105483 1201090792 /nfs/dbraw/zinc/09/07/92/1201090792.db2.gz ZTLKMOIYGKXYBH-VIFPVBQESA-N 0 3 325.271 2.281 20 5 EEBDHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107327 1201119285 /nfs/dbraw/zinc/11/92/85/1201119285.db2.gz LZOCTXHBVLPEIZ-DZGCQCFKSA-N 0 3 336.388 2.348 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2Cc3ccccc3N3CCC[C@@H]3C2)n1 ZINC000880551878 1201519571 /nfs/dbraw/zinc/51/95/71/1201519571.db2.gz ULATZSKYEOMNDP-OAHLLOKOSA-N 0 3 327.388 2.276 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CSC ZINC000934673249 1208005641 /nfs/dbraw/zinc/00/56/41/1208005641.db2.gz SSCLHLVMXLYFCP-UHFFFAOYSA-N 0 3 327.406 2.273 20 5 EEBDHN CC1(C(=O)N2C[C@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001048831850 1238808894 /nfs/dbraw/zinc/80/88/94/1238808894.db2.gz IISRBMZPKYCAPG-GASCZTMLSA-N 0 3 329.400 2.285 20 5 EEBDHN CN(C)C1(C(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001097074337 1243660280 /nfs/dbraw/zinc/66/02/80/1243660280.db2.gz YHFZGVGPNXDPJM-HDJSIYSDSA-N 0 3 332.404 2.138 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101406454 1245776192 /nfs/dbraw/zinc/77/61/92/1245776192.db2.gz RHPBHBITHYVEHE-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CC(COC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000851036235 1277447870 /nfs/dbraw/zinc/44/78/70/1277447870.db2.gz GPWWRJQEKVUGIW-NSHDSACASA-N 0 3 339.344 2.229 20 5 EEBDHN COC(=O)CCN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000851792172 1291837229 /nfs/dbraw/zinc/83/72/29/1291837229.db2.gz IQKOZBCDQSUCPO-UHFFFAOYSA-N 0 3 340.351 2.278 20 5 EEBDHN O=C(OCCN1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000858975599 1294280992 /nfs/dbraw/zinc/28/09/92/1294280992.db2.gz MGUGVXIJHSDPDM-UHFFFAOYSA-N 0 3 344.371 2.423 20 5 EEBDHN CCOC(=O)c1ccc(CO[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223966983 1300357316 /nfs/dbraw/zinc/35/73/16/1300357316.db2.gz QSBLKTJLFLPQOL-MRXNPFEDSA-N 0 3 334.372 2.382 20 5 EEBDHN CCN(CC)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103430983 1302950068 /nfs/dbraw/zinc/95/00/68/1302950068.db2.gz HUOWONBCWLXUSK-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001116922822 1305930759 /nfs/dbraw/zinc/93/07/59/1305930759.db2.gz CBHSSJSJKJDXNR-UHFFFAOYSA-N 0 3 344.419 2.311 20 5 EEBDHN COC(=O)c1ccnc(-n2c3ccccc3nc2[C@@H](C)N)c1[N+](=O)[O-] ZINC001155255958 1317526130 /nfs/dbraw/zinc/52/61/30/1317526130.db2.gz YPRKQDRVPZGBBZ-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN O=C1NCCC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254609822 1318144563 /nfs/dbraw/zinc/14/45/63/1318144563.db2.gz YXFMKHCLAWWYIK-HNNXBMFYSA-N 0 3 331.372 2.027 20 5 EEBDHN O=C(/C=C/c1ccc[nH]1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157080092 1318388089 /nfs/dbraw/zinc/38/80/89/1318388089.db2.gz BZPCGZRIQPSFFJ-CMDGGOBGSA-N 0 3 328.372 2.232 20 5 EEBDHN NCc1ccc2c(n1)N(c1cnc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001158649488 1319355043 /nfs/dbraw/zinc/35/50/43/1319355043.db2.gz LRBZHTRGHLONRF-UHFFFAOYSA-N 0 3 336.355 2.476 20 5 EEBDHN CN(C)c1ccc(N[C@H]2CCCC[C@@]23CNCCO3)c([N+](=O)[O-])c1 ZINC001163650289 1321181148 /nfs/dbraw/zinc/18/11/48/1321181148.db2.gz NZTKMNUKRGIWSF-DLBZAZTESA-N 0 3 334.420 2.374 20 5 EEBDHN CCCC[N@H+](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609210024 1351893273 /nfs/dbraw/zinc/89/32/73/1351893273.db2.gz SLGJWKHYOLVUJP-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609210024 1351893277 /nfs/dbraw/zinc/89/32/77/1351893277.db2.gz SLGJWKHYOLVUJP-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCCC[N@H+](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609210024 1351893279 /nfs/dbraw/zinc/89/32/79/1351893279.db2.gz SLGJWKHYOLVUJP-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609210024 1351893283 /nfs/dbraw/zinc/89/32/83/1351893283.db2.gz SLGJWKHYOLVUJP-LLVKDONJSA-N 0 3 333.396 2.307 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC001326881336 1334176010 /nfs/dbraw/zinc/17/60/10/1334176010.db2.gz GGQZFJOGHGWFSW-QGZVFWFLSA-N 0 3 340.383 2.253 20 5 EEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC001330818572 1334908595 /nfs/dbraw/zinc/90/85/95/1334908595.db2.gz FPYNZQPYWTYMBN-UHFFFAOYSA-N 0 3 327.406 2.320 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccnc2N2CCCC2)c1 ZINC001335366488 1336367929 /nfs/dbraw/zinc/36/79/29/1336367929.db2.gz IOYXWPXHMZXDEQ-KRWDZBQOSA-N 0 3 342.399 2.413 20 5 EEBDHN Cc1cccnc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724201 1336585767 /nfs/dbraw/zinc/58/57/67/1336585767.db2.gz ZXIAOMBNPHTDGN-ZIAGYGMSSA-N 0 3 331.372 2.389 20 5 EEBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001338551806 1336875767 /nfs/dbraw/zinc/87/57/67/1336875767.db2.gz OVEVKYBVOIMDCL-GOEBONIOSA-N 0 3 331.372 2.470 20 5 EEBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC001343648826 1337343068 /nfs/dbraw/zinc/34/30/68/1337343068.db2.gz JTQDXLBBQZUFQZ-VIFPVBQESA-N 0 3 332.150 2.345 20 5 EEBDHN C[C@H](COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC1 ZINC000847964090 1338407300 /nfs/dbraw/zinc/40/73/00/1338407300.db2.gz WSYSYJXRUKVWNZ-LLVKDONJSA-N 0 3 336.344 2.355 20 5 EEBDHN O=[N+]([O-])c1cc(NCC2CC[NH+](C3CC3)CC2)ccc1-c1nnn[n-]1 ZINC001593474868 1349809122 /nfs/dbraw/zinc/80/91/22/1349809122.db2.gz UYAVHOMDQQOUTM-UHFFFAOYSA-N 0 3 343.391 2.061 20 5 EEBDHN C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603518829 1350715414 /nfs/dbraw/zinc/71/54/14/1350715414.db2.gz WPQICTZSBKXWDH-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603518829 1350715418 /nfs/dbraw/zinc/71/54/18/1350715418.db2.gz WPQICTZSBKXWDH-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN COC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605073282 1351073020 /nfs/dbraw/zinc/07/30/20/1351073020.db2.gz XKPMDXABNPGQAC-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605073282 1351073025 /nfs/dbraw/zinc/07/30/25/1351073025.db2.gz XKPMDXABNPGQAC-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607081599 1351410023 /nfs/dbraw/zinc/41/00/23/1351410023.db2.gz HZMIPYJBNSLNQF-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001607081599 1351410026 /nfs/dbraw/zinc/41/00/26/1351410026.db2.gz HZMIPYJBNSLNQF-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607081599 1351410030 /nfs/dbraw/zinc/41/00/30/1351410030.db2.gz HZMIPYJBNSLNQF-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001607081599 1351410032 /nfs/dbraw/zinc/41/00/32/1351410032.db2.gz HZMIPYJBNSLNQF-ZDUSSCGKSA-N 0 3 343.391 2.204 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC001134995492 1367983961 /nfs/dbraw/zinc/98/39/61/1367983961.db2.gz APFGSWGEJGJPHB-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN COc1cc(C[NH2+][C@@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000799350822 1371647683 /nfs/dbraw/zinc/64/76/83/1371647683.db2.gz YBJJCEKGLJEMNU-HNNXBMFYSA-N 0 3 346.383 2.392 20 5 EEBDHN CC(COC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000847714001 1373002449 /nfs/dbraw/zinc/00/24/49/1373002449.db2.gz HTNFZHKIDQCEPL-HSMVNMDESA-N 0 3 342.392 2.232 20 5 EEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1csc([N+](=O)[O-])c1 ZINC000918696708 769325172 /nfs/dbraw/zinc/32/51/72/769325172.db2.gz GONUCXPJSKBVCL-CYBMUJFWSA-N 0 3 339.417 2.030 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000817907124 785061602 /nfs/dbraw/zinc/06/16/02/785061602.db2.gz KFLIPCKYFNUCOQ-LSDHHAIUSA-N 0 3 325.796 2.105 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082832 785394474 /nfs/dbraw/zinc/39/44/74/785394474.db2.gz SPDBSNIVJNLKIO-RDJZCZTQSA-N 0 3 328.372 2.394 20 5 EEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107279872 786698358 /nfs/dbraw/zinc/69/83/58/786698358.db2.gz DXUJCXPBRLUJHD-PLNGDYQASA-N 0 3 338.383 2.160 20 5 EEBDHN COc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845874226 789971221 /nfs/dbraw/zinc/97/12/21/789971221.db2.gz GKDJFZLUBIQVEP-LKFCYVNXSA-N 0 3 337.307 2.131 20 5 EEBDHN CCc1cccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000845936985 790001461 /nfs/dbraw/zinc/00/14/61/790001461.db2.gz NRQJXVZMGQCNOR-QZTJIDSGSA-N 0 3 330.384 2.341 20 5 EEBDHN CCc1ccnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001128010248 791578908 /nfs/dbraw/zinc/57/89/08/791578908.db2.gz XEWWKYKYIIGGSV-UHFFFAOYSA-N 0 3 328.372 2.072 20 5 EEBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001147114513 791684447 /nfs/dbraw/zinc/68/44/47/791684447.db2.gz QIAAFIGZJHKVPJ-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN CC1(C)CCN(CC(=O)NCCCNc2ccccc2[N+](=O)[O-])C1 ZINC001094783876 796577561 /nfs/dbraw/zinc/57/75/61/796577561.db2.gz AYWXBJNUXLXMRO-UHFFFAOYSA-N 0 3 334.420 2.245 20 5 EEBDHN CC(C)(CC(=O)N1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171492389 796599866 /nfs/dbraw/zinc/59/98/66/796599866.db2.gz ZGCYTXXRGXTTSH-UHFFFAOYSA-N 0 3 332.404 2.401 20 5 EEBDHN CCc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])no1 ZINC001171555588 796638392 /nfs/dbraw/zinc/63/83/92/796638392.db2.gz RGCSYIBMVKQPHD-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN CC(=O)N1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C ZINC001172922205 797152782 /nfs/dbraw/zinc/15/27/82/797152782.db2.gz XHOGJYFTCNGBDM-CXAGYDPISA-N 0 3 331.416 2.395 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCOC[C@H]2F)c1F ZINC001173185606 797280373 /nfs/dbraw/zinc/28/03/73/797280373.db2.gz AZWQQSIRDGJJBL-WCQGTBRESA-N 0 3 330.331 2.390 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)n1C ZINC001150491640 798041321 /nfs/dbraw/zinc/04/13/21/798041321.db2.gz AIQPSDGTEBJRQS-UHFFFAOYSA-N 0 3 330.388 2.070 20 5 EEBDHN COCCn1cnc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170323385 809890236 /nfs/dbraw/zinc/89/02/36/809890236.db2.gz JHFZIXQEANHQIE-ZDUSSCGKSA-N 0 3 348.403 2.167 20 5 EEBDHN CCOC(=O)C1=C(Nc2nccc3c2cccc3[N+](=O)[O-])CCNC1 ZINC001170513680 812032427 /nfs/dbraw/zinc/03/24/27/812032427.db2.gz VKFKNKYMFUTPEV-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3cnccc23)CCNC1 ZINC001170516752 812077341 /nfs/dbraw/zinc/07/73/41/812077341.db2.gz XXDPTTAJXKCODU-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN COCc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001130944653 812225148 /nfs/dbraw/zinc/22/51/48/812225148.db2.gz WBHLERDXESYPFZ-UHFFFAOYSA-N 0 3 343.383 2.261 20 5 EEBDHN C[C@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170562669 812886888 /nfs/dbraw/zinc/88/68/88/812886888.db2.gz JFEJNOGOUWLPNX-BLLLJJGKSA-N 0 3 328.372 2.446 20 5 EEBDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000175012239 231366730 /nfs/dbraw/zinc/36/67/30/231366730.db2.gz SICAUWKOLVZMFI-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000072603292 216281338 /nfs/dbraw/zinc/28/13/38/216281338.db2.gz AMQQDHWNBQDAAE-AWEZNQCLSA-N 0 3 338.795 2.331 20 5 EEBDHN COc1ccc(OCCN2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425490851 241146841 /nfs/dbraw/zinc/14/68/41/241146841.db2.gz ZGWAVVCZLFWHJM-INIZCTEOSA-N 0 3 337.420 2.254 20 5 EEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000109980333 220007095 /nfs/dbraw/zinc/00/70/95/220007095.db2.gz AHXFEDVXMBJCMW-UHFFFAOYSA-N 0 3 347.415 2.360 20 5 EEBDHN CCOC(=O)c1ccnc(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000077928744 217000429 /nfs/dbraw/zinc/00/04/29/217000429.db2.gz NKPLDNWPGNOBGU-UHFFFAOYSA-N 0 3 336.392 2.310 20 5 EEBDHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(C)C1 ZINC000266131427 248118231 /nfs/dbraw/zinc/11/82/31/248118231.db2.gz MQLUTZBEBFIDFA-OAHLLOKOSA-N 0 3 330.388 2.102 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261565 256042877 /nfs/dbraw/zinc/04/28/77/256042877.db2.gz WVFGZLJHRANNGB-GXTWGEPZSA-N 0 3 342.403 2.290 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268044057 256107727 /nfs/dbraw/zinc/10/77/27/256107727.db2.gz ZDHRVMTUOCAJHI-UKRRQHHQSA-N 0 3 334.420 2.119 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000075777483 159076925 /nfs/dbraw/zinc/07/69/25/159076925.db2.gz MVXHKCALXJYLKC-LJQANCHMSA-N 0 3 341.411 2.104 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000076948449 159093069 /nfs/dbraw/zinc/09/30/69/159093069.db2.gz NUGQVZIXGRNELU-UHFFFAOYSA-N 0 3 346.362 2.308 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119230885 159375120 /nfs/dbraw/zinc/37/51/20/159375120.db2.gz AEHURZGKQYYDJO-INIZCTEOSA-N 0 3 334.420 2.311 20 5 EEBDHN COC[C@@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342705232 161084423 /nfs/dbraw/zinc/08/44/23/161084423.db2.gz TVTWSIKGTULXJN-RHSMWYFYSA-N 0 3 347.415 2.449 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000342721738 161085862 /nfs/dbraw/zinc/08/58/62/161085862.db2.gz IBIPBUDTJANAPB-KCQAQPDRSA-N 0 3 334.420 2.303 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000344120976 161200171 /nfs/dbraw/zinc/20/01/71/161200171.db2.gz SBHGJOGXLDTDGO-KBRIMQKVSA-N 0 3 347.415 2.340 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000345327104 161292358 /nfs/dbraw/zinc/29/23/58/161292358.db2.gz SUKJSKWEYCJFRY-CJNGLKHVSA-N 0 3 334.420 2.386 20 5 EEBDHN CN(C)CCO[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352355131 162101549 /nfs/dbraw/zinc/10/15/49/162101549.db2.gz GINXDAUJKKUZOP-AWEZNQCLSA-N 0 3 330.388 2.300 20 5 EEBDHN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1=CCN(C)CC1 ZINC000272768935 269018122 /nfs/dbraw/zinc/01/81/22/269018122.db2.gz QKHCPFDNGGLPTF-LLVKDONJSA-N 0 3 328.372 2.456 20 5 EEBDHN CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000274952673 269078466 /nfs/dbraw/zinc/07/84/66/269078466.db2.gz CHGPBACLHYIKBX-SNVBAGLBSA-N 0 3 346.391 2.485 20 5 EEBDHN CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000274952673 269078469 /nfs/dbraw/zinc/07/84/69/269078469.db2.gz CHGPBACLHYIKBX-SNVBAGLBSA-N 0 3 346.391 2.485 20 5 EEBDHN Cc1c(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000275098392 269094973 /nfs/dbraw/zinc/09/49/73/269094973.db2.gz KASANWMWPSEREB-GFCCVEGCSA-N 0 3 345.321 2.404 20 5 EEBDHN O=c1c([N+](=O)[O-])cccn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278624600 269236886 /nfs/dbraw/zinc/23/68/86/269236886.db2.gz STJVLZNHABRCRO-INIZCTEOSA-N 0 3 343.383 2.048 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCN(C(C)=O)C1 ZINC000279929754 269317746 /nfs/dbraw/zinc/31/77/46/269317746.db2.gz YAILGIIPOUZYME-CQSZACIVSA-N 0 3 335.404 2.342 20 5 EEBDHN COc1cc(CNCCCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000280560514 269372979 /nfs/dbraw/zinc/37/29/79/269372979.db2.gz UXDJNQKUGHMEOS-UHFFFAOYSA-N 0 3 348.346 2.500 20 5 EEBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555402 274372060 /nfs/dbraw/zinc/37/20/60/274372060.db2.gz BXGXVPZFMVXZMJ-SJKOYZFVSA-N 0 3 332.356 2.484 20 5 EEBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000290057816 275174798 /nfs/dbraw/zinc/17/47/98/275174798.db2.gz XMHSCFAPOMAWFM-AWEZNQCLSA-N 0 3 343.387 2.375 20 5 EEBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000290810062 275242244 /nfs/dbraw/zinc/24/22/44/275242244.db2.gz RBNVIILFMKPKFP-LLVKDONJSA-N 0 3 345.193 2.191 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290887765 275249410 /nfs/dbraw/zinc/24/94/10/275249410.db2.gz CPRPCAZGGGWELU-GFCCVEGCSA-N 0 3 343.387 2.021 20 5 EEBDHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000170916503 276158436 /nfs/dbraw/zinc/15/84/36/276158436.db2.gz MZPPCVCSMZRJAC-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN CCOc1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000184131765 276381180 /nfs/dbraw/zinc/38/11/80/276381180.db2.gz PPZTXGLSOJNQJI-AWEZNQCLSA-N 0 3 335.404 2.152 20 5 EEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000262708436 280050171 /nfs/dbraw/zinc/05/01/71/280050171.db2.gz CACGHDKVSPBCMD-RKDXNWHRSA-N 0 3 342.193 2.180 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000183894042 281018275 /nfs/dbraw/zinc/01/82/75/281018275.db2.gz QHLWFRIJSHFGQW-CQSZACIVSA-N 0 3 349.435 2.051 20 5 EEBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923282 293848967 /nfs/dbraw/zinc/84/89/67/293848967.db2.gz FLXALAMWBYMGNX-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C[C@H](C)C1 ZINC000296859388 294085960 /nfs/dbraw/zinc/08/59/60/294085960.db2.gz YTFVPIQNCWFKEO-ZIAGYGMSSA-N 0 3 346.431 2.338 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138022 294827288 /nfs/dbraw/zinc/82/72/88/294827288.db2.gz ACFXXDPROOLMRB-OAHLLOKOSA-N 0 3 346.431 2.408 20 5 EEBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414480566 313032917 /nfs/dbraw/zinc/03/29/17/313032917.db2.gz BHFWTDKTKMDHAH-STQMWFEESA-N 0 3 332.356 2.436 20 5 EEBDHN COC(=O)[C@H]1CN(C)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414485343 313033549 /nfs/dbraw/zinc/03/35/49/313033549.db2.gz HXYGEDGFDMQFLE-MBSJSRAVSA-N 0 3 347.415 2.035 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)s1 ZINC000414552547 313039773 /nfs/dbraw/zinc/03/97/73/313039773.db2.gz DEGKWRRNWQSBAC-MLGOLLRUSA-N 0 3 348.424 2.498 20 5 EEBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(Cc2ccccc2)C1 ZINC000566404521 319282007 /nfs/dbraw/zinc/28/20/07/319282007.db2.gz ZYBLOUGIXGLQMF-KRWDZBQOSA-N 0 3 328.372 2.317 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000566431650 319285961 /nfs/dbraw/zinc/28/59/61/319285961.db2.gz NWYHXFZCQIBULE-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN Cc1noc(C)c1C[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191410 320004273 /nfs/dbraw/zinc/00/42/73/320004273.db2.gz DKOVZLWZJPHZEJ-XHDPSFHLSA-N 0 3 349.387 2.160 20 5 EEBDHN CCSCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576576371 320184493 /nfs/dbraw/zinc/18/44/93/320184493.db2.gz ACWSSQJWENKSQZ-LBPRGKRZSA-N 0 3 346.474 2.490 20 5 EEBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923266 465006965 /nfs/dbraw/zinc/00/69/65/465006965.db2.gz FLXALAMWBYMGNX-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591034 465041392 /nfs/dbraw/zinc/04/13/92/465041392.db2.gz BMLBQRIRDATVSB-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN COc1c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591030 465041509 /nfs/dbraw/zinc/04/15/09/465041509.db2.gz BMLBQRIRDATVSB-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)CO)cc2[N+](=O)[O-])cc1 ZINC000347510807 465066180 /nfs/dbraw/zinc/06/61/80/465066180.db2.gz XAJWPPAGBDBIPO-AWEZNQCLSA-N 0 3 348.424 2.497 20 5 EEBDHN Nc1c(C(=O)N2CCCN(CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000339202106 465138800 /nfs/dbraw/zinc/13/88/00/465138800.db2.gz GVRFOVPQQPCIKC-UHFFFAOYSA-N 0 3 332.404 2.125 20 5 EEBDHN Cn1cc(CN2C[C@@H](F)C[C@@H]2CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863784 465200125 /nfs/dbraw/zinc/20/01/25/465200125.db2.gz YEBSAFBZZQHHLR-DOTOQJQBSA-N 0 3 347.394 2.031 20 5 EEBDHN C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000590638250 468293650 /nfs/dbraw/zinc/29/36/50/468293650.db2.gz QINJOGVSYOHKPA-ZDUSSCGKSA-N 0 3 347.415 2.404 20 5 EEBDHN CN(C)CCCCN(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590671051 468299969 /nfs/dbraw/zinc/29/99/69/468299969.db2.gz YXSXTGZXCYJGTM-UHFFFAOYSA-N 0 3 335.404 2.358 20 5 EEBDHN COCCCNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060494192 462553718 /nfs/dbraw/zinc/55/37/18/462553718.db2.gz GKQUHHDSQYWYER-UHFFFAOYSA-N 0 3 349.431 2.002 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127927852 462595438 /nfs/dbraw/zinc/59/54/38/462595438.db2.gz JVHYDZQTTGISFL-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN CN(CCOCC1CC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128882872 462678286 /nfs/dbraw/zinc/67/82/86/462678286.db2.gz BAUDHKGKBJPWOD-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN Cc1cnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643968 462702742 /nfs/dbraw/zinc/70/27/42/462702742.db2.gz MRLXZWXGTSTNHQ-HZPDHXFCSA-N 0 3 342.399 2.346 20 5 EEBDHN COc1ccccc1C(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000090554075 462797765 /nfs/dbraw/zinc/79/77/65/462797765.db2.gz KSMULXDIJFGUDB-UHFFFAOYSA-N 0 3 331.372 2.290 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(O)cc1 ZINC000090553268 462797941 /nfs/dbraw/zinc/79/79/41/462797941.db2.gz IFDDGXRMRURLCH-INIZCTEOSA-N 0 3 329.356 2.299 20 5 EEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214321 462798997 /nfs/dbraw/zinc/79/89/97/462798997.db2.gz GBDUSUFFBYCNEE-PBHICJAKSA-N 0 3 344.415 2.316 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000009961807 462809218 /nfs/dbraw/zinc/80/92/18/462809218.db2.gz SLFUGEBPQOXKEW-UHFFFAOYSA-N 0 3 335.429 2.430 20 5 EEBDHN C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000093332891 463028466 /nfs/dbraw/zinc/02/84/66/463028466.db2.gz IPWGEADHUAIMHS-DOMZBBRYSA-N 0 3 331.372 2.495 20 5 EEBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CN2CCCCC2)c1 ZINC000052748780 463104241 /nfs/dbraw/zinc/10/42/41/463104241.db2.gz OWXDPFOPPBVLRA-UHFFFAOYSA-N 0 3 343.387 2.416 20 5 EEBDHN CN1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471945 468340648 /nfs/dbraw/zinc/34/06/48/468340648.db2.gz DZMBJRDMGLWUKG-INIZCTEOSA-N 0 3 348.447 2.181 20 5 EEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000054287019 463224075 /nfs/dbraw/zinc/22/40/75/463224075.db2.gz GWSVBUFTTAZTBF-GFCCVEGCSA-N 0 3 334.420 2.417 20 5 EEBDHN Nc1nc(NC[C@@H](c2ccccc2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000079814463 463252388 /nfs/dbraw/zinc/25/23/88/463252388.db2.gz TXBMANQULDWHNG-ZDUSSCGKSA-N 0 3 328.376 2.216 20 5 EEBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000138549959 463309807 /nfs/dbraw/zinc/30/98/07/463309807.db2.gz OPBHJXGLVJEBEL-UHFFFAOYSA-N 0 3 341.795 2.089 20 5 EEBDHN C[C@@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139667 463483391 /nfs/dbraw/zinc/48/33/91/463483391.db2.gz MHSRILMXVOGGOZ-BQDHKBFISA-N 0 3 333.388 2.469 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CCCC2)C1 ZINC000127055634 463679380 /nfs/dbraw/zinc/67/93/80/463679380.db2.gz HNKTTZFHZYICNY-HNNXBMFYSA-N 0 3 342.399 2.315 20 5 EEBDHN CCOc1cc(CN2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000276851595 463780922 /nfs/dbraw/zinc/78/09/22/463780922.db2.gz DSYIZWFOBQBWGE-GDBMZVCRSA-N 0 3 339.461 2.471 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177771760 463787711 /nfs/dbraw/zinc/78/77/11/463787711.db2.gz ONVNIFGDXHMTNJ-OLZOCXBDSA-N 0 3 348.359 2.202 20 5 EEBDHN [NH3+][C@H]1CCc2nc([N-]C(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000261970214 463913769 /nfs/dbraw/zinc/91/37/69/463913769.db2.gz YXGWWDJLOGPQHC-QMMMGPOBSA-N 0 3 336.348 2.259 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287546447 463923039 /nfs/dbraw/zinc/92/30/39/463923039.db2.gz WDCZIBOIOQNKHE-OAHLLOKOSA-N 0 3 347.415 2.438 20 5 EEBDHN Cc1ccc(NCCCNC(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])[nH+]c1 ZINC000269529249 464010705 /nfs/dbraw/zinc/01/07/05/464010705.db2.gz RTBFSTNSKORBJX-UHFFFAOYSA-N 0 3 346.391 2.377 20 5 EEBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262367068 464011814 /nfs/dbraw/zinc/01/18/14/464011814.db2.gz XEQCWTVQWGTNMS-CYBMUJFWSA-N 0 3 349.840 2.290 20 5 EEBDHN CC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922547 464042616 /nfs/dbraw/zinc/04/26/16/464042616.db2.gz CGQBVRPOYGYRSL-WFASDCNBSA-N 0 3 326.418 2.460 20 5 EEBDHN Cc1c(Br)cc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000269982129 464147684 /nfs/dbraw/zinc/14/76/84/464147684.db2.gz PRCNZBLVKVBLAT-QMMMGPOBSA-N 0 3 344.209 2.346 20 5 EEBDHN COc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263715133 464164410 /nfs/dbraw/zinc/16/44/10/464164410.db2.gz VQMMADXNKJCFMO-XQQFMLRXSA-N 0 3 335.404 2.481 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179736946 464179827 /nfs/dbraw/zinc/17/98/27/464179827.db2.gz INUHWMPXBLLVHV-KRWDZBQOSA-N 0 3 344.371 2.303 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000284424868 464187122 /nfs/dbraw/zinc/18/71/22/464187122.db2.gz OXTRISZEABWKPL-RYUDHWBXSA-N 0 3 333.388 2.349 20 5 EEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000263897437 464232049 /nfs/dbraw/zinc/23/20/49/464232049.db2.gz ATWVGBRGXZCWDC-UHFFFAOYSA-N 0 3 331.376 2.089 20 5 EEBDHN CNC(=O)c1ccc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189083657 464429734 /nfs/dbraw/zinc/42/97/34/464429734.db2.gz JVMMWDPPRFBPQK-CQSZACIVSA-N 0 3 332.404 2.019 20 5 EEBDHN C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386329 464545607 /nfs/dbraw/zinc/54/56/07/464545607.db2.gz WNTJDKDIKICKHK-WBHUJUFNSA-N 0 3 345.399 2.312 20 5 EEBDHN Cc1cc(NC(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281827647 464600520 /nfs/dbraw/zinc/60/05/20/464600520.db2.gz NHWFXGALYWEWAT-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265608725 464616222 /nfs/dbraw/zinc/61/62/22/464616222.db2.gz WOIAVIUWNXBMKK-UHFFFAOYSA-N 0 3 325.796 2.345 20 5 EEBDHN CCN1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499949 464633999 /nfs/dbraw/zinc/63/39/99/464633999.db2.gz GREISIWGNBMNAH-DLBZAZTESA-N 0 3 343.431 2.492 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCCN(CCCO)C1 ZINC000295029988 464683578 /nfs/dbraw/zinc/68/35/78/464683578.db2.gz VNMFHEDWXUDYTH-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)Cc2ccccc2C1 ZINC000265935015 464739844 /nfs/dbraw/zinc/73/98/44/464739844.db2.gz QZAUTVXFPQVCLI-UHFFFAOYSA-N 0 3 329.356 2.017 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176695364 464828528 /nfs/dbraw/zinc/82/85/28/464828528.db2.gz XHTDQCPZSDUCOB-GASCZTMLSA-N 0 3 349.431 2.143 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000286460127 464926120 /nfs/dbraw/zinc/92/61/20/464926120.db2.gz SRDPFEXFWMTMNJ-GOOCMWNKSA-N 0 3 346.431 2.399 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411469 465352457 /nfs/dbraw/zinc/35/24/57/465352457.db2.gz NQUTWKYPFQIFJJ-DGCLKSJQSA-N 0 3 343.330 2.334 20 5 EEBDHN C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000298660470 465464193 /nfs/dbraw/zinc/46/41/93/465464193.db2.gz CCQHDOBWNJFHLY-MRVPVSSYSA-N 0 3 332.307 2.268 20 5 EEBDHN CC(C)[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1C ZINC000343217214 465491082 /nfs/dbraw/zinc/49/10/82/465491082.db2.gz QTZBPDSUFWNZQF-CQSZACIVSA-N 0 3 331.376 2.020 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000356859035 465580931 /nfs/dbraw/zinc/58/09/31/465580931.db2.gz MTEUGMOPMZAYPR-CYBMUJFWSA-N 0 3 330.388 2.300 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2)c1 ZINC000348399909 465583948 /nfs/dbraw/zinc/58/39/48/465583948.db2.gz RUZOQXOQNPJCGI-AWEZNQCLSA-N 0 3 340.387 2.387 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCOC(C)C)CC1 ZINC000361002614 465693996 /nfs/dbraw/zinc/69/39/96/465693996.db2.gz NWTLNDDIZOKVIC-UHFFFAOYSA-N 0 3 339.440 2.421 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344616992 465726096 /nfs/dbraw/zinc/72/60/96/465726096.db2.gz OFPYUDRABSTBJH-LLVKDONJSA-N 0 3 337.424 2.292 20 5 EEBDHN COc1c(C(=O)NCCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000357153682 465816156 /nfs/dbraw/zinc/81/61/56/465816156.db2.gz VHBFPHMRGJKUTH-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230210 466011096 /nfs/dbraw/zinc/01/10/96/466011096.db2.gz MEUSEROJOBDWHB-DCGLDWPTSA-N 0 3 349.406 2.465 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301883928 466052499 /nfs/dbraw/zinc/05/24/99/466052499.db2.gz NPEXWSKWOZPSMU-LBPRGKRZSA-N 0 3 340.399 2.180 20 5 EEBDHN CCN(CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000338716796 466330842 /nfs/dbraw/zinc/33/08/42/466330842.db2.gz DTAUTQPOWJJAPH-UHFFFAOYSA-N 0 3 329.422 2.141 20 5 EEBDHN COc1c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332097558 466386158 /nfs/dbraw/zinc/38/61/58/466386158.db2.gz XSUSTGKLRWHZQK-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN CCOC(=O)CC1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000597235409 468490752 /nfs/dbraw/zinc/49/07/52/468490752.db2.gz FYQBWJFLNYEYPX-UHFFFAOYSA-N 0 3 336.388 2.495 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(CO)cc3)C2)nc1 ZINC000305851057 466481180 /nfs/dbraw/zinc/48/11/80/466481180.db2.gz UWVKFMNIDLBGGN-HNNXBMFYSA-N 0 3 328.372 2.169 20 5 EEBDHN CC(C)(C)OC(=O)[C@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000362106242 466561204 /nfs/dbraw/zinc/56/12/04/466561204.db2.gz LKOICGQORQEVMT-NBEHIINDSA-N 0 3 336.388 2.290 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC(CN2CCOCC2)CC1 ZINC000350829984 466617977 /nfs/dbraw/zinc/61/79/77/466617977.db2.gz KPFUNOLBVMLRSO-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000417348353 466839565 /nfs/dbraw/zinc/83/95/65/466839565.db2.gz YCKJUAHKGAVYOJ-OAHLLOKOSA-N 0 3 343.387 2.105 20 5 EEBDHN CO[C@](C)([C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961524 466947960 /nfs/dbraw/zinc/94/79/60/466947960.db2.gz ANTOBBRAIBBYKS-KPZWWZAWSA-N 0 3 347.415 2.277 20 5 EEBDHN Cc1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709875 466975467 /nfs/dbraw/zinc/97/54/67/466975467.db2.gz RVTGAQBOCIGCGN-AEFFLSMTSA-N 0 3 346.475 2.361 20 5 EEBDHN CC(C)Oc1cc(C(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000412233059 467045299 /nfs/dbraw/zinc/04/52/99/467045299.db2.gz NUQKBLKUWQLTPH-UHFFFAOYSA-N 0 3 333.388 2.374 20 5 EEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1C[NH+](C)C ZINC000412420621 467081790 /nfs/dbraw/zinc/08/17/90/467081790.db2.gz RRVXNYHNSQDGMF-UHFFFAOYSA-N 0 3 330.344 2.318 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN2CCCO)c(C(F)(F)F)c1 ZINC000413323899 467216563 /nfs/dbraw/zinc/21/65/63/467216563.db2.gz ISYVZLSZYUUDOM-SNVBAGLBSA-N 0 3 348.325 2.267 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000378170221 467217952 /nfs/dbraw/zinc/21/79/52/467217952.db2.gz LQVSHKQWNNCFOL-HOCLYGCPSA-N 0 3 339.823 2.279 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000433064103 467288079 /nfs/dbraw/zinc/28/80/79/467288079.db2.gz VUPYVDZRGCSUPW-RDJZCZTQSA-N 0 3 330.388 2.032 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433282519 467314922 /nfs/dbraw/zinc/31/49/22/467314922.db2.gz BHGXBXIBKMKCLJ-MRXNPFEDSA-N 0 3 330.388 2.285 20 5 EEBDHN CN(CCCNC(=O)C1CCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000429543259 467343962 /nfs/dbraw/zinc/34/39/62/467343962.db2.gz VAWDEUHQFSGLHM-UHFFFAOYSA-N 0 3 335.404 2.212 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCC(NC(C)=O)CC1 ZINC000430200187 467407670 /nfs/dbraw/zinc/40/76/70/467407670.db2.gz GJRPAGIIWKTQNY-UHFFFAOYSA-N 0 3 335.404 2.483 20 5 EEBDHN CNc1nc(C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000455373279 467672036 /nfs/dbraw/zinc/67/20/36/467672036.db2.gz AYGKRVLCAHPPGR-ZDUSSCGKSA-N 0 3 347.419 2.122 20 5 EEBDHN COc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])c(C)n2)c1 ZINC000450478497 467856575 /nfs/dbraw/zinc/85/65/75/467856575.db2.gz GVKFCQNRTXTFOF-UHFFFAOYSA-N 0 3 345.403 2.270 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000450779365 467906505 /nfs/dbraw/zinc/90/65/05/467906505.db2.gz NGFYFIWUVPFNPX-MEDUHNTESA-N 0 3 328.372 2.292 20 5 EEBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1CCO ZINC000450786493 467907480 /nfs/dbraw/zinc/90/74/80/467907480.db2.gz AAUNDEWGOVDTJY-BETUJISGSA-N 0 3 330.388 2.034 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494386128 468051824 /nfs/dbraw/zinc/05/18/24/468051824.db2.gz MLRBYENBTRRJQY-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN CO[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598680 468179986 /nfs/dbraw/zinc/17/99/86/468179986.db2.gz RTWKHNWDFZFDNA-YJBOKZPZSA-N 0 3 346.383 2.312 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590344984 468238084 /nfs/dbraw/zinc/23/80/84/468238084.db2.gz CDTYTGKFFWSHKO-AWEZNQCLSA-N 0 3 335.404 2.468 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594420425 468579156 /nfs/dbraw/zinc/57/91/56/468579156.db2.gz TUYFNDSAPFPLDG-GJZGRUSLSA-N 0 3 332.404 2.140 20 5 EEBDHN CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000591994198 468593010 /nfs/dbraw/zinc/59/30/10/468593010.db2.gz FATGIRZBYHISNS-MRXNPFEDSA-N 0 3 334.420 2.263 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(C[C@H]2CCCO2)CC1 ZINC000594494429 468607850 /nfs/dbraw/zinc/60/78/50/468607850.db2.gz FYOBDIADNSGZON-QGZVFWFLSA-N 0 3 349.431 2.336 20 5 EEBDHN CC(C)[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000600947546 468693557 /nfs/dbraw/zinc/69/35/57/468693557.db2.gz MJNNSQSEIDDRAP-LLVKDONJSA-N 0 3 329.198 2.187 20 5 EEBDHN CC[C@@H](C)C[C@@H](CO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375629 468684925 /nfs/dbraw/zinc/68/49/25/468684925.db2.gz XDDFXNCYXSQSPK-YPMHNXCESA-N 0 3 326.393 2.499 20 5 EEBDHN COC(=O)COc1ccc(CNCCc2ccoc2)cc1[N+](=O)[O-] ZINC000594982459 468738457 /nfs/dbraw/zinc/73/84/57/468738457.db2.gz SBDURLMVKOMHDC-UHFFFAOYSA-N 0 3 334.328 2.072 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104717 468742498 /nfs/dbraw/zinc/74/24/98/468742498.db2.gz DRLYFICHWQHNBG-AWEZNQCLSA-N 0 3 343.431 2.003 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000583853403 468764500 /nfs/dbraw/zinc/76/45/00/468764500.db2.gz NZJCJMXYTXBTDQ-MAZHCROVSA-N 0 3 333.388 2.245 20 5 EEBDHN Cc1c(CN(CCN2CCOCC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000595809931 469023747 /nfs/dbraw/zinc/02/37/47/469023747.db2.gz UVGPWHYRWPWSQV-UHFFFAOYSA-N 0 3 333.432 2.447 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610719355 469049091 /nfs/dbraw/zinc/04/90/91/469049091.db2.gz KKBMAAQMIOYWMQ-OAHLLOKOSA-N 0 3 334.420 2.311 20 5 EEBDHN CCn1nccc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596092460 469151766 /nfs/dbraw/zinc/15/17/66/469151766.db2.gz ALPHKSNCNMYHMU-LBPRGKRZSA-N 0 3 331.376 2.318 20 5 EEBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)nc2c1 ZINC000611533507 469274335 /nfs/dbraw/zinc/27/43/35/469274335.db2.gz IOCZOGPNSWZNSQ-UHFFFAOYSA-N 0 3 338.371 2.188 20 5 EEBDHN Cc1c(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596636394 469318003 /nfs/dbraw/zinc/31/80/03/469318003.db2.gz VCMSWLVKUWDGHO-CQSZACIVSA-N 0 3 348.403 2.278 20 5 EEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000603577764 469412819 /nfs/dbraw/zinc/41/28/19/469412819.db2.gz PFDLLDOPRBKAHC-UHFFFAOYSA-N 0 3 346.387 2.263 20 5 EEBDHN CCOc1ccc([C@@H](C)NCCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000179418163 528594531 /nfs/dbraw/zinc/59/45/31/528594531.db2.gz YLOWSORMNXBIST-GFCCVEGCSA-N 0 3 337.376 2.486 20 5 EEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193305635 535036457 /nfs/dbraw/zinc/03/64/57/535036457.db2.gz USYMRTSEGUVTDM-GFCCVEGCSA-N 0 3 329.422 2.007 20 5 EEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000491796739 535935741 /nfs/dbraw/zinc/93/57/41/535935741.db2.gz NITWIOKCQBZELS-LLCTXKFZSA-N 0 3 333.363 2.300 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425063047 536487949 /nfs/dbraw/zinc/48/79/49/536487949.db2.gz DYLRAQSEEDCNJB-GOEBONIOSA-N 0 3 345.399 2.110 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774763 536799641 /nfs/dbraw/zinc/79/96/41/536799641.db2.gz UGMZUNHPOMHPLI-NILFDRSVSA-N 0 3 333.388 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000776592280 577463735 /nfs/dbraw/zinc/46/37/35/577463735.db2.gz WIQDVQURSBJGGR-MSOLQXFVSA-N 0 3 328.368 2.220 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820092242 606644702 /nfs/dbraw/zinc/64/47/02/606644702.db2.gz JNSUITCFTJCIEX-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091836 606808541 /nfs/dbraw/zinc/80/85/41/606808541.db2.gz BFRJJJLCBXAKCC-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091836 606808542 /nfs/dbraw/zinc/80/85/42/606808542.db2.gz BFRJJJLCBXAKCC-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091836 606808543 /nfs/dbraw/zinc/80/85/43/606808543.db2.gz BFRJJJLCBXAKCC-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091836 606808544 /nfs/dbraw/zinc/80/85/44/606808544.db2.gz BFRJJJLCBXAKCC-GFCCVEGCSA-N 0 3 345.407 2.165 20 5 EEBDHN COc1c([O-])ccc(C[NH2+]C2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000892758856 683000605 /nfs/dbraw/zinc/00/06/05/683000605.db2.gz PMQJHHNZESIMCX-UHFFFAOYSA-N 0 3 345.346 2.128 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCS(=O)(=O)C1 ZINC000872019122 1198027295 /nfs/dbraw/zinc/02/72/95/1198027295.db2.gz SXNUPNQSTMYBCN-MNOVXSKESA-N 0 3 344.458 2.402 20 5 EEBDHN CON(C)C(=O)C1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877544121 1199961709 /nfs/dbraw/zinc/96/17/09/1199961709.db2.gz MFYLXXXQNUJROG-UHFFFAOYSA-N 0 3 335.404 2.443 20 5 EEBDHN CONC(=O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000877786092 1200102748 /nfs/dbraw/zinc/10/27/48/1200102748.db2.gz UOPWNJPHDYVRPL-JLHYYAGUSA-N 0 3 333.388 2.388 20 5 EEBDHN CNC(=O)[C@H](CCSC)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358159 1201499928 /nfs/dbraw/zinc/49/99/28/1201499928.db2.gz HAQCBAQJUSBIQT-GWCFXTLKSA-N 0 3 343.424 2.122 20 5 EEBDHN CC(C)N(C)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095418280 1205721913 /nfs/dbraw/zinc/72/19/13/1205721913.db2.gz BXIVHXHDSXUQJK-UHFFFAOYSA-N 0 3 334.420 2.020 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932375114 1207593240 /nfs/dbraw/zinc/59/32/40/1207593240.db2.gz JSNDPTBZOQDKKW-CRAIPNDOSA-N 0 3 343.383 2.470 20 5 EEBDHN Nc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000854497682 1292811643 /nfs/dbraw/zinc/81/16/43/1292811643.db2.gz UWDJXHYLIBHNFR-UHFFFAOYSA-N 0 3 348.403 2.151 20 5 EEBDHN CC(C)(O)CC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001223052093 1299964442 /nfs/dbraw/zinc/96/44/42/1299964442.db2.gz QRYDIMYKJNDVGO-UHFFFAOYSA-N 0 3 349.431 2.084 20 5 EEBDHN CN1CC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515387 1301861772 /nfs/dbraw/zinc/86/17/72/1301861772.db2.gz ITMMJJFXFFISGW-JTQLQIEISA-N 0 3 348.384 2.387 20 5 EEBDHN CC(C)N(C)CC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001230374369 1303182928 /nfs/dbraw/zinc/18/29/28/1303182928.db2.gz UBVKUNHMQJTBTC-UHFFFAOYSA-N 0 3 348.447 2.016 20 5 EEBDHN CC(C)(CO)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108431 1315844520 /nfs/dbraw/zinc/84/45/20/1315844520.db2.gz NWQIHUDYVCJUMN-SJORKVTESA-N 0 3 345.399 2.373 20 5 EEBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001152078517 1316629475 /nfs/dbraw/zinc/62/94/75/1316629475.db2.gz RXDYUUMTCMFLBF-UHFFFAOYSA-N 0 3 328.372 2.126 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cncs1 ZINC001155209289 1317502608 /nfs/dbraw/zinc/50/26/08/1317502608.db2.gz VNFILEHYNLWODA-UHFFFAOYSA-N 0 3 326.403 2.023 20 5 EEBDHN COc1cc2ncnc(N[C@H]3CN4CCC3CC4)c2cc1[N+](=O)[O-] ZINC001155667856 1317695739 /nfs/dbraw/zinc/69/57/39/1317695739.db2.gz PKLTUURVHJNEDP-ZDUSSCGKSA-N 0 3 329.360 2.053 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCC4(C3)OCCO4)CC2)cc1 ZINC001254480013 1318084115 /nfs/dbraw/zinc/08/41/15/1318084115.db2.gz UHPIPYYFNMZIIG-UHFFFAOYSA-N 0 3 347.415 2.403 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCNC(=O)O2)CC1 ZINC001254565387 1318121894 /nfs/dbraw/zinc/12/18/94/1318121894.db2.gz OUJIBJZQHICYRN-ZDUSSCGKSA-N 0 3 333.388 2.490 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ncccn2)C1 ZINC001254571653 1318126859 /nfs/dbraw/zinc/12/68/59/1318126859.db2.gz ZWVJKVYFSJCMMA-UKRRQHHQSA-N 0 3 328.372 2.469 20 5 EEBDHN CCc1cc(NCC2CN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159222450 1319688691 /nfs/dbraw/zinc/68/86/91/1319688691.db2.gz MVPVLYFFGBYKKZ-UHFFFAOYSA-N 0 3 327.388 2.010 20 5 EEBDHN CN(C)C1(C)CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001165121112 1321459058 /nfs/dbraw/zinc/45/90/58/1321459058.db2.gz FVHSAABESMCCIF-UHFFFAOYSA-N 0 3 331.351 2.331 20 5 EEBDHN CN1CCN(c2cc[nH+]cc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210396523 1325263850 /nfs/dbraw/zinc/26/38/50/1325263850.db2.gz TWGDAQIDQBPJNY-UHFFFAOYSA-N 0 3 329.360 2.191 20 5 EEBDHN Cn1cc([C@H](O)CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC001308292489 1331582012 /nfs/dbraw/zinc/58/20/12/1331582012.db2.gz MMJODBNCMXQSML-MRXNPFEDSA-N 0 3 342.355 2.412 20 5 EEBDHN CC[NH+](CC)CCSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604285462 1350909522 /nfs/dbraw/zinc/90/95/22/1350909522.db2.gz COBUTTHTZPQQHC-UHFFFAOYSA-N 0 3 340.384 2.348 20 5 EEBDHN CO[C@@](C)([C@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997307 1351049029 /nfs/dbraw/zinc/04/90/29/1351049029.db2.gz BILMEVXITOPHMD-QFYYESIMSA-N 0 3 346.391 2.068 20 5 EEBDHN CO[C@@](C)([C@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997307 1351049034 /nfs/dbraw/zinc/04/90/34/1351049034.db2.gz BILMEVXITOPHMD-QFYYESIMSA-N 0 3 346.391 2.068 20 5 EEBDHN C[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564279 1368036397 /nfs/dbraw/zinc/03/63/97/1368036397.db2.gz DUTMFPJRVHDJGQ-BXUZGUMPSA-N 0 3 349.362 2.407 20 5 EEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000839439570 1372902413 /nfs/dbraw/zinc/90/24/13/1372902413.db2.gz BEXAZXXZIRPKRO-SNVBAGLBSA-N 0 3 327.331 2.428 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104401152 760281081 /nfs/dbraw/zinc/28/10/81/760281081.db2.gz VTDZQNNNTMIUSQ-UHFFFAOYSA-N 0 3 349.435 2.173 20 5 EEBDHN O=C1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173227 785447597 /nfs/dbraw/zinc/44/75/97/785447597.db2.gz KZCSJGNLOGXXFL-WMLDXEAASA-N 0 3 347.415 2.151 20 5 EEBDHN Cc1cc(C(=O)NCCN(C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000170903930 791134160 /nfs/dbraw/zinc/13/41/60/791134160.db2.gz KVOQBKTVWBGYOG-UHFFFAOYSA-N 0 3 342.399 2.347 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714973 786434388 /nfs/dbraw/zinc/43/43/88/786434388.db2.gz JTEIPGUPKQTRRD-HUUCEWRRSA-N 0 3 343.387 2.095 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107232571 786546707 /nfs/dbraw/zinc/54/67/07/786546707.db2.gz CASXANYLHZUPQI-SNAWJCMRSA-N 0 3 338.383 2.158 20 5 EEBDHN COc1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001148881485 792787856 /nfs/dbraw/zinc/78/78/56/792787856.db2.gz QREBTAXOTBTKES-UHFFFAOYSA-N 0 3 343.383 2.052 20 5 EEBDHN CCCCCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093802619 795698347 /nfs/dbraw/zinc/69/83/47/795698347.db2.gz NUUDGJHAHNUATG-UHFFFAOYSA-N 0 3 337.424 2.030 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001094141335 795992060 /nfs/dbraw/zinc/99/20/60/795992060.db2.gz QHLBOUPOHIMPGE-UHFFFAOYSA-N 0 3 336.436 2.409 20 5 EEBDHN CC(=O)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172918285 797170663 /nfs/dbraw/zinc/17/06/63/797170663.db2.gz ANJPEULWDLCHQY-GUYCJALGSA-N 0 3 331.416 2.395 20 5 EEBDHN CCCC[C@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173179759 797278965 /nfs/dbraw/zinc/27/89/65/797278965.db2.gz NXMCONQJYJERTL-JQWIXIFHSA-N 0 3 341.383 2.307 20 5 EEBDHN O=C(NC1CCN(Cc2sccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002781464 798602659 /nfs/dbraw/zinc/60/26/59/798602659.db2.gz CUFGXWQNQPFZLF-ZYHUDNBSSA-N 0 3 343.836 2.147 20 5 EEBDHN O=[N+]([O-])c1cnc(Cl)nc1N1CCNC[C@@H]1c1cccs1 ZINC001156089284 803193942 /nfs/dbraw/zinc/19/39/42/803193942.db2.gz IVGURPGENIEUTF-MRVPVSSYSA-N 0 3 325.781 2.251 20 5 EEBDHN COc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)o1 ZINC001169060368 803598893 /nfs/dbraw/zinc/59/88/93/803598893.db2.gz RIUAJQBGACGLPH-UHFFFAOYSA-N 0 3 339.373 2.168 20 5 EEBDHN COc1ccc(C[C@@H](C)N2CCc3nccn3CC2)c([N+](=O)[O-])c1 ZINC001170350475 809918969 /nfs/dbraw/zinc/91/89/69/809918969.db2.gz AIDIGOQQNSOZFO-CYBMUJFWSA-N 0 3 330.388 2.289 20 5 EEBDHN Cc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183892865 235254369 /nfs/dbraw/zinc/25/43/69/235254369.db2.gz VVLQRNOJCODXGJ-CQSZACIVSA-N 0 3 349.435 2.051 20 5 EEBDHN C[C@@H]1COCCN1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549165 243153924 /nfs/dbraw/zinc/15/39/24/243153924.db2.gz PBLGVRACBIXSIF-WBVHZDCISA-N 0 3 333.432 2.495 20 5 EEBDHN CNc1c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000452174624 243363152 /nfs/dbraw/zinc/36/31/52/243363152.db2.gz QOTBBFVVQNSCDB-GFCCVEGCSA-N 0 3 332.404 2.193 20 5 EEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491532559 246063469 /nfs/dbraw/zinc/06/34/69/246063469.db2.gz LNDXDIKAWOFPJV-ZBTGYSDGSA-N 0 3 347.415 2.177 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497422 256141474 /nfs/dbraw/zinc/14/14/74/256141474.db2.gz JXWBTEDZZWRKRQ-XJKSGUPXSA-N 0 3 334.420 2.119 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccnc1 ZINC000132282085 533224471 /nfs/dbraw/zinc/22/44/71/533224471.db2.gz YFZLSCNBRMLYAX-UHFFFAOYSA-N 0 3 344.371 2.459 20 5 EEBDHN CCC[C@@](C)(N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262696054 152307712 /nfs/dbraw/zinc/30/77/12/152307712.db2.gz DJSYZFWBHHDDCF-QGZVFWFLSA-N 0 3 335.404 2.482 20 5 EEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128028784 292334449 /nfs/dbraw/zinc/33/44/49/292334449.db2.gz ZOLDCXNQGJKHOJ-UHFFFAOYSA-N 0 3 343.387 2.485 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000194655694 160197807 /nfs/dbraw/zinc/19/78/07/160197807.db2.gz AZLYGVBKVPOPOU-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000245397115 160231717 /nfs/dbraw/zinc/23/17/17/160231717.db2.gz NXWYDAYZAWNHKD-HUUCEWRRSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000246138075 160263683 /nfs/dbraw/zinc/26/36/83/160263683.db2.gz DMMNEQLJZINYNA-HUUCEWRRSA-N 0 3 348.447 2.268 20 5 EEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000246242786 160270128 /nfs/dbraw/zinc/27/01/28/160270128.db2.gz IAQGNXMPNZQOBL-NVXWUHKLSA-N 0 3 330.388 2.371 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000343059008 161099282 /nfs/dbraw/zinc/09/92/82/161099282.db2.gz WCJYLSXYKVRPNL-UHFFFAOYSA-N 0 3 330.344 2.183 20 5 EEBDHN CN(CCN1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343484020 161140499 /nfs/dbraw/zinc/14/04/99/161140499.db2.gz OFOSILDLYUAQHY-UHFFFAOYSA-N 0 3 330.388 2.104 20 5 EEBDHN CSC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000355455462 163195773 /nfs/dbraw/zinc/19/57/73/163195773.db2.gz LKPSYDQVXWTXRE-UHFFFAOYSA-N 0 3 337.445 2.081 20 5 EEBDHN CN(C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000359747861 164164504 /nfs/dbraw/zinc/16/45/04/164164504.db2.gz PFFFCOJIOAHCHT-UHFFFAOYSA-N 0 3 342.812 2.089 20 5 EEBDHN CC(C)N1CCN(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000375595425 167163092 /nfs/dbraw/zinc/16/30/92/167163092.db2.gz DRVXNDBOVWUOOI-UHFFFAOYSA-N 0 3 339.465 2.046 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272674316 269006823 /nfs/dbraw/zinc/00/68/23/269006823.db2.gz UKDWBHQHQZZZDM-NHYWBVRUSA-N 0 3 337.807 2.343 20 5 EEBDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000275630654 269132014 /nfs/dbraw/zinc/13/20/14/269132014.db2.gz JQMNAHPVXSCVRV-OAHLLOKOSA-N 0 3 344.419 2.214 20 5 EEBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000277912496 269197117 /nfs/dbraw/zinc/19/71/17/269197117.db2.gz GNJUEGTYFNHYTP-LBPRGKRZSA-N 0 3 338.364 2.416 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000278365937 269226560 /nfs/dbraw/zinc/22/65/60/269226560.db2.gz BNNYYZIPQPQUFS-OAHLLOKOSA-N 0 3 333.432 2.322 20 5 EEBDHN C[C@H]1CN(CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278444751 269232145 /nfs/dbraw/zinc/23/21/45/269232145.db2.gz HUQVTIUJJKLVSX-HNNXBMFYSA-N 0 3 349.431 2.145 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274532403 274204428 /nfs/dbraw/zinc/20/44/28/274204428.db2.gz BWFUFCIBQLHMPC-UHFFFAOYSA-N 0 3 327.331 2.239 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917582 274273140 /nfs/dbraw/zinc/27/31/40/274273140.db2.gz ONOHTYQSPBUTLG-INIZCTEOSA-N 0 3 349.431 2.148 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC000277404455 274290559 /nfs/dbraw/zinc/29/05/59/274290559.db2.gz BNYBNUGARWYVBA-OAHLLOKOSA-N 0 3 333.388 2.107 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285012027 274664846 /nfs/dbraw/zinc/66/48/46/274664846.db2.gz GMSRMSDDOBYVCT-LLVKDONJSA-N 0 3 337.376 2.101 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000451542747 275037245 /nfs/dbraw/zinc/03/72/45/275037245.db2.gz ADBQANZBENUFCO-NVXWUHKLSA-N 0 3 330.388 2.032 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288267362 275040797 /nfs/dbraw/zinc/04/07/97/275040797.db2.gz AWYOLGFRKCTDRH-ZDUSSCGKSA-N 0 3 343.449 2.135 20 5 EEBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000170916501 276153249 /nfs/dbraw/zinc/15/32/49/276153249.db2.gz MZPPCVCSMZRJAC-QGZVFWFLSA-N 0 3 346.431 2.118 20 5 EEBDHN CNc1nc(C(=O)N[C@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000456016171 277045183 /nfs/dbraw/zinc/04/51/83/277045183.db2.gz HZVGJWLXKWEQEH-GFCCVEGCSA-N 0 3 335.408 2.026 20 5 EEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780330 277243430 /nfs/dbraw/zinc/24/34/30/277243430.db2.gz CDUYXIZUTQCMHF-CABCVRRESA-N 0 3 335.404 2.386 20 5 EEBDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000182831747 278117581 /nfs/dbraw/zinc/11/75/81/278117581.db2.gz QJCZRTDVKNLDIJ-GJZGRUSLSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237661412 288033254 /nfs/dbraw/zinc/03/32/54/288033254.db2.gz JEEFNIFGFNRJHD-CHWSQXEVSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376213719 288261357 /nfs/dbraw/zinc/26/13/57/288261357.db2.gz YVXUXDSUSMDBPM-UKRRQHHQSA-N 0 3 336.411 2.196 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420464673 301859733 /nfs/dbraw/zinc/85/97/33/301859733.db2.gz KJKUGZDYBVASET-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN CC(C)(CN1CCOCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308648280 311582537 /nfs/dbraw/zinc/58/25/37/311582537.db2.gz QDWZYGZJYDJRQY-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN CCCN1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332419738 312004689 /nfs/dbraw/zinc/00/46/89/312004689.db2.gz PUNMJSUXDNVTOM-KRWDZBQOSA-N 0 3 346.431 2.118 20 5 EEBDHN Cn1cc(CN2CCNC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414765318 313080856 /nfs/dbraw/zinc/08/08/56/313080856.db2.gz BSICFBYDNVASHH-QGZVFWFLSA-N 0 3 347.394 2.129 20 5 EEBDHN O=C(NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000417348348 313491630 /nfs/dbraw/zinc/49/16/30/313491630.db2.gz YCKJUAHKGAVYOJ-HNNXBMFYSA-N 0 3 343.387 2.105 20 5 EEBDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000515637770 316509436 /nfs/dbraw/zinc/50/94/36/316509436.db2.gz WHJZOZFCLMVHCJ-KRWDZBQOSA-N 0 3 344.367 2.327 20 5 EEBDHN CC(C)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000527044942 317145587 /nfs/dbraw/zinc/14/55/87/317145587.db2.gz TXWSMXYMIJUWLZ-GFCCVEGCSA-N 0 3 341.433 2.141 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ccccc1 ZINC000560276830 318770062 /nfs/dbraw/zinc/77/00/62/318770062.db2.gz JATKWSRFAGAGFK-AWEZNQCLSA-N 0 3 332.356 2.003 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000570671896 319686428 /nfs/dbraw/zinc/68/64/28/319686428.db2.gz XKOMJBJOOTWZGW-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN Cc1noc(C)c1C[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191406 320004147 /nfs/dbraw/zinc/00/41/47/320004147.db2.gz DKOVZLWZJPHZEJ-IAQYHMDHSA-N 0 3 349.387 2.160 20 5 EEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C ZINC000576254374 320155972 /nfs/dbraw/zinc/15/59/72/320155972.db2.gz JJSMUSCWQHTLQS-BXUZGUMPSA-N 0 3 331.376 2.048 20 5 EEBDHN NC(=O)COc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577506670 320259948 /nfs/dbraw/zinc/25/99/48/320259948.db2.gz CZWMACSKAMRBLA-MRXNPFEDSA-N 0 3 341.367 2.236 20 5 EEBDHN CN1CCC(n2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)CC1 ZINC000490008352 447885139 /nfs/dbraw/zinc/88/51/39/447885139.db2.gz QAAGAHVSNBIONV-UHFFFAOYSA-N 0 3 347.350 2.449 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069292 465070669 /nfs/dbraw/zinc/07/06/69/465070669.db2.gz PKHNYTRHYKCLFF-SSKCKEOISA-N 0 3 347.415 2.133 20 5 EEBDHN [NH3+]CCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000336878754 465073157 /nfs/dbraw/zinc/07/31/57/465073157.db2.gz IKFWIFRIDPZMBI-AWEZNQCLSA-N 0 3 349.412 2.353 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](C)(O)C(F)(F)F ZINC000358362391 465080147 /nfs/dbraw/zinc/08/01/47/465080147.db2.gz CSCDCEBPWMTHMY-ZANVPECISA-N 0 3 349.309 2.215 20 5 EEBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)c1 ZINC000296455752 465201450 /nfs/dbraw/zinc/20/14/50/465201450.db2.gz JAWXDFYFJDWAJE-OAHLLOKOSA-N 0 3 331.376 2.417 20 5 EEBDHN C[C@@H](c1cnn(C)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337329542 465309229 /nfs/dbraw/zinc/30/92/29/465309229.db2.gz ZSJSFAKQRMDRKP-LBPRGKRZSA-N 0 3 331.376 2.350 20 5 EEBDHN CC(C)N1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000347927496 465314149 /nfs/dbraw/zinc/31/41/49/465314149.db2.gz HZFGXNQKBVXWNI-NSHDSACASA-N 0 3 331.376 2.074 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411471 465352982 /nfs/dbraw/zinc/35/29/82/465352982.db2.gz NQUTWKYPFQIFJJ-WCQYABFASA-N 0 3 343.330 2.334 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270649 462748587 /nfs/dbraw/zinc/74/85/87/462748587.db2.gz UDWBSBNVZLOMTD-NWDGAFQWSA-N 0 3 344.433 2.467 20 5 EEBDHN CN1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091482697 462883798 /nfs/dbraw/zinc/88/37/98/462883798.db2.gz UEHOGBOLVOKDOE-GFCCVEGCSA-N 0 3 332.404 2.241 20 5 EEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCN(C)C1 ZINC000156098342 462979770 /nfs/dbraw/zinc/97/97/70/462979770.db2.gz QGFIGHGHLYAKTA-LBPRGKRZSA-N 0 3 328.372 2.309 20 5 EEBDHN CN(CC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080118342 463285068 /nfs/dbraw/zinc/28/50/68/463285068.db2.gz KHTGSFCZOBLRSK-HNNXBMFYSA-N 0 3 346.431 2.118 20 5 EEBDHN Cc1cc(N[C@H](C)CN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083862 463317564 /nfs/dbraw/zinc/31/75/64/463317564.db2.gz JUUDBSKBWAIWIP-CQSZACIVSA-N 0 3 343.431 2.499 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2)CC1 ZINC000080537929 463329703 /nfs/dbraw/zinc/32/97/03/463329703.db2.gz HXKHSJNQNJLAJS-UHFFFAOYSA-N 0 3 328.372 2.463 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1C ZINC000123799946 463370192 /nfs/dbraw/zinc/37/01/92/463370192.db2.gz IQFGYMMVFOXSBS-CQSZACIVSA-N 0 3 349.412 2.190 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104529099 463416544 /nfs/dbraw/zinc/41/65/44/463416544.db2.gz HPPRELLKWBIIGM-UHFFFAOYSA-N 0 3 333.392 2.131 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139486 463483361 /nfs/dbraw/zinc/48/33/61/463483361.db2.gz MHSRILMXVOGGOZ-AEAUEXCSSA-N 0 3 333.388 2.469 20 5 EEBDHN Cc1c(Br)c(N2C[C@@H](C)N[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000165694790 463646518 /nfs/dbraw/zinc/64/65/18/463646518.db2.gz OURTUZZYOQIBLD-OCAPTIKFSA-N 0 3 329.198 2.247 20 5 EEBDHN CC(C)N1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000059893805 463646599 /nfs/dbraw/zinc/64/65/99/463646599.db2.gz BNELZIGJBSDVGX-GFCCVEGCSA-N 0 3 341.433 2.141 20 5 EEBDHN O=C1CCCN1[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111294109 463674933 /nfs/dbraw/zinc/67/49/33/463674933.db2.gz HWYPVYUEOXXUAT-INIZCTEOSA-N 0 3 347.415 2.451 20 5 EEBDHN O=C1CCCN1[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111294110 463676157 /nfs/dbraw/zinc/67/61/57/463676157.db2.gz HWYPVYUEOXXUAT-MRXNPFEDSA-N 0 3 347.415 2.451 20 5 EEBDHN CN(C)CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532955 463729025 /nfs/dbraw/zinc/72/90/25/463729025.db2.gz COGJSGXWMHJWJJ-UHFFFAOYSA-N 0 3 332.307 2.222 20 5 EEBDHN COC(=O)CCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000269111652 463877660 /nfs/dbraw/zinc/87/76/60/463877660.db2.gz XDOOSACVGCCPBZ-UHFFFAOYSA-N 0 3 346.387 2.247 20 5 EEBDHN COC[C@@H](C)OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278809259 463990899 /nfs/dbraw/zinc/99/08/99/463990899.db2.gz ZNXOSXLSKHPERC-PBHICJAKSA-N 0 3 340.420 2.218 20 5 EEBDHN CCCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645938 464046204 /nfs/dbraw/zinc/04/62/04/464046204.db2.gz KZNIISJAZHWMSP-DOTOQJQBSA-N 0 3 349.431 2.257 20 5 EEBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645951 464046428 /nfs/dbraw/zinc/04/64/28/464046428.db2.gz KZNIISJAZHWMSP-WBVHZDCISA-N 0 3 349.431 2.257 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264582429 464383038 /nfs/dbraw/zinc/38/30/38/464383038.db2.gz JVVNHCJYENREDT-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN C[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146920 464496323 /nfs/dbraw/zinc/49/63/23/464496323.db2.gz WLGGWWJQKUTWIQ-CXAGYDPISA-N 0 3 347.415 2.415 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175553728 464572955 /nfs/dbraw/zinc/57/29/55/464572955.db2.gz OVYBCFLFPLVTBY-JSGCOSHPSA-N 0 3 332.404 2.361 20 5 EEBDHN CCO[C@@H]1C[C@@](CO)(NCCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971452 464575052 /nfs/dbraw/zinc/57/50/52/464575052.db2.gz NTMNHHZOYFBRQN-WBVHZDCISA-N 0 3 338.404 2.129 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272540833 464652432 /nfs/dbraw/zinc/65/24/32/464652432.db2.gz BYOMHADDWNGOEY-IUODEOHRSA-N 0 3 335.429 2.240 20 5 EEBDHN CCOC(=O)c1ccnc(N2[C@@H]3CC[C@H]2CN(CC)CC3)c1[N+](=O)[O-] ZINC000176729442 464835540 /nfs/dbraw/zinc/83/55/40/464835540.db2.gz DALRRRHFUOGIGQ-OLZOCXBDSA-N 0 3 348.403 2.230 20 5 EEBDHN COCCN(CCN(C)C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276379374 464910230 /nfs/dbraw/zinc/91/02/30/464910230.db2.gz GBRKYWXPURHGNI-UHFFFAOYSA-N 0 3 338.408 2.254 20 5 EEBDHN O=[N+]([O-])c1cnc(NCC2(N3CCCCC3)CCOCC2)s1 ZINC000192459130 464929310 /nfs/dbraw/zinc/92/93/10/464929310.db2.gz AXCHQYHSXMKSCB-UHFFFAOYSA-N 0 3 326.422 2.498 20 5 EEBDHN C[C@@]1(O)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000348381883 465574942 /nfs/dbraw/zinc/57/49/42/465574942.db2.gz WTJNKUYNOFPBMJ-QGZVFWFLSA-N 0 3 349.387 2.130 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330560904 465706411 /nfs/dbraw/zinc/70/64/11/465706411.db2.gz HZIRLNWXWSAOPO-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000371349666 465734528 /nfs/dbraw/zinc/73/45/28/465734528.db2.gz LCLUPJQNMGKYAP-BBRMVZONSA-N 0 3 336.411 2.196 20 5 EEBDHN COc1ccc(CN2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000330678199 465757794 /nfs/dbraw/zinc/75/77/94/465757794.db2.gz WCZSHQGYWBFTSH-ZFWWWQNUSA-N 0 3 325.434 2.081 20 5 EEBDHN Cc1ccc(NC2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000338287275 465986485 /nfs/dbraw/zinc/98/64/85/465986485.db2.gz ZMJNQJCOJQSRJP-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN COc1cc(NC[C@H](O)CN2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301925728 466061556 /nfs/dbraw/zinc/06/15/56/466061556.db2.gz LHUACUVPHDILKO-LBPRGKRZSA-N 0 3 341.383 2.247 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422194 466078187 /nfs/dbraw/zinc/07/81/87/466078187.db2.gz UNRMNWZYLLCSKS-VFZGTOFNSA-N 0 3 339.342 2.014 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N(C)C ZINC000331614032 466163695 /nfs/dbraw/zinc/16/36/95/466163695.db2.gz PMFLZYQQGSLDPH-HUUCEWRRSA-N 0 3 348.428 2.194 20 5 EEBDHN COC(=O)c1cnc(N[C@@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302753304 466180075 /nfs/dbraw/zinc/18/00/75/466180075.db2.gz HVMXIEZKRDBTKC-LBPRGKRZSA-N 0 3 336.392 2.453 20 5 EEBDHN O=C([C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331696109 466201305 /nfs/dbraw/zinc/20/13/05/466201305.db2.gz VLWYAAMUOGCUHU-INIZCTEOSA-N 0 3 331.416 2.472 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000363150133 466248501 /nfs/dbraw/zinc/24/85/01/466248501.db2.gz MAAORVPONLEBNF-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363798829 466622564 /nfs/dbraw/zinc/62/25/64/466622564.db2.gz DJORWKOXYOYAGA-UONOGXRCSA-N 0 3 348.403 2.196 20 5 EEBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000428896001 467279525 /nfs/dbraw/zinc/27/95/25/467279525.db2.gz RPIDNAHHVIUWGS-CQSZACIVSA-N 0 3 330.388 2.487 20 5 EEBDHN Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976548 467292857 /nfs/dbraw/zinc/29/28/57/467292857.db2.gz YORXCMMQYZHUNR-DOTOQJQBSA-N 0 3 348.378 2.437 20 5 EEBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000434426328 467397889 /nfs/dbraw/zinc/39/78/89/467397889.db2.gz VBDZSYPHDZHVSO-AWEZNQCLSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@H]1CCN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448980857 467610428 /nfs/dbraw/zinc/61/04/28/467610428.db2.gz QUNYNCIQZNTPGG-LBPRGKRZSA-N 0 3 343.387 2.151 20 5 EEBDHN CO[C@@H]1COCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456265 467647829 /nfs/dbraw/zinc/64/78/29/467647829.db2.gz MFWJFMCHFRTNNE-IINYFYTJSA-N 0 3 346.330 2.337 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000450351790 467833768 /nfs/dbraw/zinc/83/37/68/467833768.db2.gz ABSIFOOKRVNYAR-NWDGAFQWSA-N 0 3 330.388 2.468 20 5 EEBDHN O=C(CCNCCOc1ncccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000515166273 467976478 /nfs/dbraw/zinc/97/64/78/467976478.db2.gz HRLSPCUIUVNWAZ-UHFFFAOYSA-N 0 3 348.334 2.126 20 5 EEBDHN CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000493908440 468003947 /nfs/dbraw/zinc/00/39/47/468003947.db2.gz RKBQRRFPNKQBLO-UHFFFAOYSA-N 0 3 327.812 2.137 20 5 EEBDHN C[C@@H](CO)N1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487764629 468052813 /nfs/dbraw/zinc/05/28/13/468052813.db2.gz YRPXRIHJZYIGPC-ZDUSSCGKSA-N 0 3 330.388 2.036 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594227250 468519769 /nfs/dbraw/zinc/51/97/69/468519769.db2.gz VGFLODBGQNWMBB-CVEARBPZSA-N 0 3 332.404 2.411 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2COCCN2)c2ccccc2)c1 ZINC000600712311 468629302 /nfs/dbraw/zinc/62/93/02/468629302.db2.gz WUZLXYNZBDOZOW-FUHWJXTLSA-N 0 3 327.384 2.262 20 5 EEBDHN COCc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000558752014 468713830 /nfs/dbraw/zinc/71/38/30/468713830.db2.gz BCFIEJFOCYUWFU-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(CCCO)C1 ZINC000595043252 468748538 /nfs/dbraw/zinc/74/85/38/468748538.db2.gz VOQZWXVPPLSEDJ-KBPBESRZSA-N 0 3 337.420 2.101 20 5 EEBDHN CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C)C1 ZINC000592832176 468799066 /nfs/dbraw/zinc/79/90/66/468799066.db2.gz SIFGYQNYJXVZGO-INIZCTEOSA-N 0 3 344.415 2.492 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000595295966 468804012 /nfs/dbraw/zinc/80/40/12/468804012.db2.gz IQAPTPWYJYJKOY-MRXNPFEDSA-N 0 3 337.395 2.421 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598260298 468808993 /nfs/dbraw/zinc/80/89/93/468808993.db2.gz ACMUACLJUFELGU-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN CCCN1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343019 468838123 /nfs/dbraw/zinc/83/81/23/468838123.db2.gz PGVMGFFZVXHJAB-HNNXBMFYSA-N 0 3 334.420 2.387 20 5 EEBDHN CC(C)O[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053757 468853512 /nfs/dbraw/zinc/85/35/12/468853512.db2.gz LPPLDVXIYYJFAS-LSDHHAIUSA-N 0 3 338.404 2.224 20 5 EEBDHN COC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593128879 468880760 /nfs/dbraw/zinc/88/07/60/468880760.db2.gz KROROZDAWUJSOD-JKSUJKDBSA-N 0 3 334.372 2.105 20 5 EEBDHN CC(C)[C@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783301 469071694 /nfs/dbraw/zinc/07/16/94/469071694.db2.gz JCIBHBVCWZURQV-WMZOPIPTSA-N 0 3 344.415 2.408 20 5 EEBDHN CC[C@H](O)CN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602795200 469079881 /nfs/dbraw/zinc/07/98/81/469079881.db2.gz GFSBMJQSFLSWJT-INIZCTEOSA-N 0 3 332.404 2.373 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000611268471 469214287 /nfs/dbraw/zinc/21/42/87/469214287.db2.gz UBXHQAKWPRUSCZ-XYDITTIYSA-N 0 3 331.416 2.139 20 5 EEBDHN O=C(CCN[C@H]1c2ccccc2C[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000573966811 469238202 /nfs/dbraw/zinc/23/82/02/469238202.db2.gz LTWJJBIMDDRVBR-AEFFLSMTSA-N 0 3 341.367 2.171 20 5 EEBDHN Cc1c(NC(=O)c2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000602227807 469249267 /nfs/dbraw/zinc/24/92/67/469249267.db2.gz DWFIIVJJBCZGFK-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN CN(C)[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1O ZINC000574487524 469275041 /nfs/dbraw/zinc/27/50/41/469275041.db2.gz NCWAJDJWYCMMOE-ROUUACIJSA-N 0 3 335.407 2.135 20 5 EEBDHN CCC[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596652062 469322064 /nfs/dbraw/zinc/32/20/64/469322064.db2.gz FSFJWWVYKMIVMF-AWEZNQCLSA-N 0 3 331.376 2.180 20 5 EEBDHN COC(=O)COc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000616091067 469366106 /nfs/dbraw/zinc/36/61/06/469366106.db2.gz KRLNFCJXDBFNFP-LLVKDONJSA-N 0 3 344.314 2.424 20 5 EEBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@H]1CSCCN1 ZINC000603418605 469389028 /nfs/dbraw/zinc/38/90/28/469389028.db2.gz HLROQEJKLXNTAL-QMMMGPOBSA-N 0 3 332.223 2.474 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)c(Br)c1 ZINC000603418656 469389307 /nfs/dbraw/zinc/38/93/07/469389307.db2.gz IRFMDQKYBWIMGE-QMMMGPOBSA-N 0 3 332.223 2.474 20 5 EEBDHN Cc1cccc(N[C@H]2CCCN(CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603423948 469391883 /nfs/dbraw/zinc/39/18/83/469391883.db2.gz RURQMTSRCZIYJD-INIZCTEOSA-N 0 3 348.447 2.112 20 5 EEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000610296719 470001464 /nfs/dbraw/zinc/00/14/64/470001464.db2.gz ITSJLVYPQYZHEG-HNNXBMFYSA-N 0 3 342.399 2.280 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000602803572 490687254 /nfs/dbraw/zinc/68/72/54/490687254.db2.gz CTRDRHKFEWVYGF-BGJPBQGDSA-N 0 3 336.417 2.188 20 5 EEBDHN COc1cc(CNC[C@](C)(O)c2cccs2)c([N+](=O)[O-])cc1O ZINC000152997384 533883783 /nfs/dbraw/zinc/88/37/83/533883783.db2.gz BXXYQCVHEASHDT-HNNXBMFYSA-N 0 3 338.385 2.368 20 5 EEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000181109844 534739274 /nfs/dbraw/zinc/73/92/74/534739274.db2.gz NLMZOHWCEXBYLB-UHFFFAOYSA-N 0 3 332.404 2.268 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000733168763 577206441 /nfs/dbraw/zinc/20/64/41/577206441.db2.gz WVJBBFOPXWBKKW-HNNXBMFYSA-N 0 3 334.420 2.485 20 5 EEBDHN C[C@@H](N[C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803152 577231158 /nfs/dbraw/zinc/23/11/58/577231158.db2.gz OJTNVLMGMFHDIU-RNCFNFMXSA-N 0 3 341.795 2.326 20 5 EEBDHN NC(=O)CCN(Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273902 577456248 /nfs/dbraw/zinc/45/62/48/577456248.db2.gz DXLLTAPEHJJIBX-QGZVFWFLSA-N 0 3 343.383 2.006 20 5 EEBDHN Cc1nn(CN2CCN(CC3CC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764901997 577490536 /nfs/dbraw/zinc/49/05/36/577490536.db2.gz RUQNKKFAMJQQPM-UHFFFAOYSA-N 0 3 329.404 2.238 20 5 EEBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1CCOC ZINC000766427235 577519222 /nfs/dbraw/zinc/51/92/22/577519222.db2.gz FAVOBYBTFVLPHJ-LBPRGKRZSA-N 0 3 349.391 2.068 20 5 EEBDHN COc1ccccc1OCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749646851 577979404 /nfs/dbraw/zinc/97/94/04/577979404.db2.gz MJJJTADHNXHDSX-OAHLLOKOSA-N 0 3 332.356 2.305 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736570052 578212039 /nfs/dbraw/zinc/21/20/39/578212039.db2.gz NBHFZJQNLIWCTK-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736570052 578212040 /nfs/dbraw/zinc/21/20/40/578212040.db2.gz NBHFZJQNLIWCTK-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736570052 578212041 /nfs/dbraw/zinc/21/20/41/578212041.db2.gz NBHFZJQNLIWCTK-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736570052 578212042 /nfs/dbraw/zinc/21/20/42/578212042.db2.gz NBHFZJQNLIWCTK-GFCCVEGCSA-N 0 3 331.380 2.061 20 5 EEBDHN COc1c(O)ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000892756229 682999760 /nfs/dbraw/zinc/99/97/60/682999760.db2.gz XCVSEIMZQCOEKU-SNVBAGLBSA-N 0 3 349.309 2.035 20 5 EEBDHN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC000892781013 683037165 /nfs/dbraw/zinc/03/71/65/683037165.db2.gz JXJAGNAWIQYMEQ-MRXNPFEDSA-N 0 3 337.807 2.391 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001059272257 683867456 /nfs/dbraw/zinc/86/74/56/683867456.db2.gz SYHQDKOQMVEAON-JOCQHMNTSA-N 0 3 343.387 2.237 20 5 EEBDHN Cn1nccc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877364390 1199914647 /nfs/dbraw/zinc/91/46/47/1199914647.db2.gz XQMWPDQTEDBPPP-UHFFFAOYSA-N 0 3 345.222 2.485 20 5 EEBDHN Cc1sc2[nH]c(CCC(=O)OCC(C)[N+](=O)[O-])nc(=O)c2c1C ZINC000813107674 1201117895 /nfs/dbraw/zinc/11/78/95/1201117895.db2.gz QFTAKKRBBVVGRJ-SSDOTTSWSA-N 0 3 339.373 2.155 20 5 EEBDHN CC(COC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)[N+](=O)[O-] ZINC000813110184 1201123455 /nfs/dbraw/zinc/12/34/55/1201123455.db2.gz ULSFBCYEJVXMBP-QMMMGPOBSA-N 0 3 336.325 2.361 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097185451 1243798504 /nfs/dbraw/zinc/79/85/04/1243798504.db2.gz YHLDAYOJCHKJKT-BETUJISGSA-N 0 3 338.383 2.135 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097189932 1243827286 /nfs/dbraw/zinc/82/72/86/1243827286.db2.gz JWRUTNSUEHAKPX-TXEJJXNPSA-N 0 3 338.383 2.133 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001101830156 1246218800 /nfs/dbraw/zinc/21/88/00/1246218800.db2.gz LNWAHTHBASQTOS-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN CN(c1ccccc1[N+](=O)[O-])C1CCN(C(=O)CN2CCCC2)CC1 ZINC001068678687 1251511880 /nfs/dbraw/zinc/51/18/80/1251511880.db2.gz BMYWMJKQKQGRHZ-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C ZINC000860447339 1294972851 /nfs/dbraw/zinc/97/28/51/1294972851.db2.gz JIHQMSUMCBKFGK-NWDGAFQWSA-N 0 3 343.836 2.366 20 5 EEBDHN Cc1cc(NCCN(C)C(=O)CN(C)C2CCC2)ccc1[N+](=O)[O-] ZINC001102017067 1300145684 /nfs/dbraw/zinc/14/56/84/1300145684.db2.gz CDVLXEOYAVKKRK-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CN1CCC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227449095 1301832974 /nfs/dbraw/zinc/83/29/74/1301832974.db2.gz LCEXLRJMYBTFRI-UHFFFAOYSA-N 0 3 326.352 2.004 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111827994 1303957354 /nfs/dbraw/zinc/95/73/54/1303957354.db2.gz LPBHLEOVODXUNZ-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000842802393 1315776446 /nfs/dbraw/zinc/77/64/46/1315776446.db2.gz XSQLETYTSSVBEM-NWDGAFQWSA-N 0 3 330.381 2.232 20 5 EEBDHN COC(=O)c1cc(C)nc(NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001307230366 1329955032 /nfs/dbraw/zinc/95/50/32/1329955032.db2.gz UBQWHRNPZMHKCJ-UHFFFAOYSA-N 0 3 336.392 2.229 20 5 EEBDHN CNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214865 1331517357 /nfs/dbraw/zinc/51/73/57/1331517357.db2.gz WPBZDBGJBZQMCE-HNNXBMFYSA-N 0 3 340.383 2.105 20 5 EEBDHN COC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717992 1332940138 /nfs/dbraw/zinc/94/01/38/1332940138.db2.gz XJIIWRDBQSVRLQ-NWDGAFQWSA-N 0 3 338.360 2.043 20 5 EEBDHN C[N@H+](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609276224 1351918440 /nfs/dbraw/zinc/91/84/40/1351918440.db2.gz ULZGONPCOVPQGI-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN C[N@@H+](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609276224 1351918445 /nfs/dbraw/zinc/91/84/45/1351918445.db2.gz ULZGONPCOVPQGI-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001100203739 1338156726 /nfs/dbraw/zinc/15/67/26/1338156726.db2.gz DCLQHQOALZEKND-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CCN1 ZINC001576017475 1343946467 /nfs/dbraw/zinc/94/64/67/1343946467.db2.gz UKOFEUAJRQRAPK-UKRRQHHQSA-N 0 3 334.420 2.338 20 5 EEBDHN CC(C)C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555392 1349003480 /nfs/dbraw/zinc/00/34/80/1349003480.db2.gz AWYKVZNUUPPORB-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555392 1349003485 /nfs/dbraw/zinc/00/34/85/1349003485.db2.gz AWYKVZNUUPPORB-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589715498 1349023557 /nfs/dbraw/zinc/02/35/57/1349023557.db2.gz WCJLCDZBXKTKRF-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589715498 1349023558 /nfs/dbraw/zinc/02/35/58/1349023558.db2.gz WCJLCDZBXKTKRF-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN CO[C@@](C)([C@@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997303 1351048996 /nfs/dbraw/zinc/04/89/96/1351048996.db2.gz BILMEVXITOPHMD-HWPZZCPQSA-N 0 3 346.391 2.068 20 5 EEBDHN CO[C@@](C)([C@@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997303 1351048997 /nfs/dbraw/zinc/04/89/97/1351048997.db2.gz BILMEVXITOPHMD-HWPZZCPQSA-N 0 3 346.391 2.068 20 5 EEBDHN Cc1cccc(-c2nnc3n2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC3)c1 ZINC000835457168 1372626007 /nfs/dbraw/zinc/62/60/07/1372626007.db2.gz XKBLMLUYGJAYOF-OCCSQVGLSA-N 0 3 344.371 2.024 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(s1)CNCC2 ZINC001578480222 1403761777 /nfs/dbraw/zinc/76/17/77/1403761777.db2.gz BMTSSERSFPBPLX-UHFFFAOYSA-N 0 3 332.429 2.372 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000840252607 782457849 /nfs/dbraw/zinc/45/78/49/782457849.db2.gz XSUJRRTZDHHLOJ-MWLCHTKSSA-N 0 3 346.309 2.284 20 5 EEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@H](C)C1 ZINC000910291339 786651548 /nfs/dbraw/zinc/65/15/48/786651548.db2.gz CWFRZJUKUKAGCT-CYBMUJFWSA-N 0 3 334.420 2.217 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000923275316 789275967 /nfs/dbraw/zinc/27/59/67/789275967.db2.gz XOIZZEFHJXEADO-DZGCQCFKSA-N 0 3 342.399 2.314 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845876621 789971697 /nfs/dbraw/zinc/97/16/97/789971697.db2.gz PQCZVAAOTBIREF-MEDUHNTESA-N 0 3 335.335 2.442 20 5 EEBDHN CN(C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@H]1CCOC1 ZINC001172913784 797148103 /nfs/dbraw/zinc/14/81/03/797148103.db2.gz VBOVTWSWTAIVLC-AEFFLSMTSA-N 0 3 345.443 2.247 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001086294161 802683854 /nfs/dbraw/zinc/68/38/54/802683854.db2.gz LLPJRRWPTGXTTN-SAZUREKKSA-N 0 3 340.383 2.288 20 5 EEBDHN COc1ccc(C[C@H](C)N[C@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312177 809885443 /nfs/dbraw/zinc/88/54/43/809885443.db2.gz DLCNROAUKDIFFJ-BLLLJJGKSA-N 0 3 331.372 2.253 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001129484578 810870907 /nfs/dbraw/zinc/87/09/07/810870907.db2.gz UVSXDRWURIOOBD-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CCNC1 ZINC001170517642 812070289 /nfs/dbraw/zinc/07/02/89/812070289.db2.gz SNGNBKNJJNOQCO-UHFFFAOYSA-N 0 3 330.344 2.299 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000807925043 812388265 /nfs/dbraw/zinc/38/82/65/812388265.db2.gz FWBCJXLZSTVTOI-AWEZNQCLSA-N 0 3 337.424 2.175 20 5 EEBDHN CNC(=O)c1ccc(N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189083678 290627706 /nfs/dbraw/zinc/62/77/06/290627706.db2.gz JVMMWDPPRFBPQK-AWEZNQCLSA-N 0 3 332.404 2.019 20 5 EEBDHN CN(c1ccccc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835027 530035678 /nfs/dbraw/zinc/03/56/78/530035678.db2.gz HFKDNKFRJITRJJ-UHFFFAOYSA-N 0 3 329.404 2.392 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)cc1C ZINC000236722132 242334862 /nfs/dbraw/zinc/33/48/62/242334862.db2.gz ZENMOJYUTARUII-HNNXBMFYSA-N 0 3 343.449 2.253 20 5 EEBDHN C[C@](O)(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573910 242291250 /nfs/dbraw/zinc/29/12/50/242291250.db2.gz JOHIQEKWSKLQFR-FOGDFJRCSA-N 0 3 336.314 2.178 20 5 EEBDHN Cn1cc(CN2C[C@@H](O)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448363045 242396862 /nfs/dbraw/zinc/39/68/62/242396862.db2.gz AWUYCVSZUWZDQY-OAHLLOKOSA-N 0 3 330.388 2.198 20 5 EEBDHN CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543142 243150583 /nfs/dbraw/zinc/15/05/83/243150583.db2.gz AZOYLCBASFWIJC-PBHICJAKSA-N 0 3 336.388 2.088 20 5 EEBDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552214 243156084 /nfs/dbraw/zinc/15/60/84/243156084.db2.gz YKPULHQATLZVTB-SQWLQELKSA-N 0 3 338.404 2.081 20 5 EEBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449670370 284245578 /nfs/dbraw/zinc/24/55/78/284245578.db2.gz ZOJVJNOKBQGKQB-LBPRGKRZSA-N 0 3 325.271 2.068 20 5 EEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000153528543 224117618 /nfs/dbraw/zinc/11/76/18/224117618.db2.gz QVMUWIUCHKGALJ-UHFFFAOYSA-N 0 3 333.344 2.097 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1Cc1ccccc1 ZINC000268137708 256117364 /nfs/dbraw/zinc/11/73/64/256117364.db2.gz JVGBSBLQESMCRK-DGCLKSJQSA-N 0 3 328.376 2.042 20 5 EEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000270800617 256173310 /nfs/dbraw/zinc/17/33/10/256173310.db2.gz CKZGUHSXSCQGNI-CYBMUJFWSA-N 0 3 335.404 2.162 20 5 EEBDHN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000271216616 256220736 /nfs/dbraw/zinc/22/07/36/256220736.db2.gz IZSJPDVFOPQCQD-KBRIMQKVSA-N 0 3 330.388 2.408 20 5 EEBDHN COc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000272887411 256246696 /nfs/dbraw/zinc/24/66/96/256246696.db2.gz XYIXTPNXHVCOBW-UHFFFAOYSA-N 0 3 334.376 2.352 20 5 EEBDHN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273054846 256261360 /nfs/dbraw/zinc/26/13/60/256261360.db2.gz XUIGIOWODOCOSE-GFCCVEGCSA-N 0 3 335.429 2.454 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCCN(C)C ZINC000120216820 292251803 /nfs/dbraw/zinc/25/18/03/292251803.db2.gz QYAMAWBSLDRKLX-JTQLQIEISA-N 0 3 327.406 2.225 20 5 EEBDHN CN(C)CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000109069453 159345985 /nfs/dbraw/zinc/34/59/85/159345985.db2.gz OMHVTPUQTJKTOT-UHFFFAOYSA-N 0 3 348.325 2.093 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCNCc1cccnc1 ZINC000237567264 160222711 /nfs/dbraw/zinc/22/27/11/160222711.db2.gz ZNNFFJABAMOVDR-UHFFFAOYSA-N 0 3 328.372 2.208 20 5 EEBDHN COc1ccc(OCCN2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246430555 160279225 /nfs/dbraw/zinc/27/92/25/160279225.db2.gz AYTHYULRWZLPCM-XJKSGUPXSA-N 0 3 336.388 2.483 20 5 EEBDHN CSC[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247297477 160318335 /nfs/dbraw/zinc/31/83/35/160318335.db2.gz UNFSNPKCXPHGKZ-UONOGXRCSA-N 0 3 326.418 2.162 20 5 EEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000352587179 162201029 /nfs/dbraw/zinc/20/10/29/162201029.db2.gz ZXNUYRXYOPYRCT-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN CN(C)CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356280228 163391922 /nfs/dbraw/zinc/39/19/22/163391922.db2.gz MJPYJKAOOGLSDA-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN CN(C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000356302251 163398489 /nfs/dbraw/zinc/39/84/89/163398489.db2.gz RHVGFEPBNOGWTC-UHFFFAOYSA-N 0 3 330.388 2.171 20 5 EEBDHN Cc1cccc(NCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000359751161 164165084 /nfs/dbraw/zinc/16/50/84/164165084.db2.gz JOWKXTATSOJMJA-UHFFFAOYSA-N 0 3 340.343 2.016 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC(F)F ZINC000364293651 165084495 /nfs/dbraw/zinc/08/44/95/165084495.db2.gz ZBLPAYQRVRBRSG-NWDGAFQWSA-N 0 3 343.330 2.471 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364801834 165279422 /nfs/dbraw/zinc/27/94/22/165279422.db2.gz PVBUPLYGXGCTBA-CABCVRRESA-N 0 3 347.415 2.311 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@H]1C ZINC000375757870 167186869 /nfs/dbraw/zinc/18/68/69/167186869.db2.gz MUXNWYIYRVOCII-GDBMZVCRSA-N 0 3 346.431 2.400 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000376407562 167320074 /nfs/dbraw/zinc/32/00/74/167320074.db2.gz MQFLUGTZCIVDBY-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN CC(C)Oc1cccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000120572424 221615416 /nfs/dbraw/zinc/61/54/16/221615416.db2.gz GAVRHUKVVCBOJZ-INIZCTEOSA-N 0 3 348.403 2.071 20 5 EEBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1O ZINC000275533185 269122117 /nfs/dbraw/zinc/12/21/17/269122117.db2.gz XKAAIHCIRLNLRG-CQSZACIVSA-N 0 3 339.367 2.155 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277626773 269164958 /nfs/dbraw/zinc/16/49/58/269164958.db2.gz WWMFROJMQYAOOR-HNNXBMFYSA-N 0 3 333.388 2.107 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277747770 269178192 /nfs/dbraw/zinc/17/81/92/269178192.db2.gz BURCILHIRBPQJC-CQSZACIVSA-N 0 3 333.388 2.350 20 5 EEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280656282 269383090 /nfs/dbraw/zinc/38/30/90/269383090.db2.gz ZODRLKYIBKMQCB-IRXDYDNUSA-N 0 3 343.383 2.177 20 5 EEBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235063 274457657 /nfs/dbraw/zinc/45/76/57/274457657.db2.gz JLSONIWPZOABDL-MFKMUULPSA-N 0 3 341.795 2.327 20 5 EEBDHN CCC[C@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000285672706 274772443 /nfs/dbraw/zinc/77/24/43/274772443.db2.gz UHQMOEAYDSWFPC-KRWDZBQOSA-N 0 3 333.388 2.033 20 5 EEBDHN Cc1nnc(CCN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000289589839 275130462 /nfs/dbraw/zinc/13/04/62/275130462.db2.gz BYWDIMVPVMSTFF-JTQLQIEISA-N 0 3 349.416 2.304 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292121905 275379700 /nfs/dbraw/zinc/37/97/00/275379700.db2.gz GPXKVIRRPWMUPN-SFHVURJKSA-N 0 3 344.415 2.337 20 5 EEBDHN CN(C)[C@@H]1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861654 294904881 /nfs/dbraw/zinc/90/48/81/294904881.db2.gz DUROEIABPCFHOU-VXGBXAGGSA-N 0 3 341.433 2.283 20 5 EEBDHN Cc1ccc(NCCCNC(=O)NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000118941609 301646658 /nfs/dbraw/zinc/64/66/58/301646658.db2.gz UNIADLRNPIHSPY-UHFFFAOYSA-N 0 3 349.435 2.099 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413474694 312869103 /nfs/dbraw/zinc/86/91/03/312869103.db2.gz BYLZEKSWKVIMRU-UHFFFAOYSA-N 0 3 348.447 2.112 20 5 EEBDHN Cc1nn(-c2cccc(F)c2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000414385507 313007768 /nfs/dbraw/zinc/00/77/68/313007768.db2.gz WXIABVBZEGMNHM-UHFFFAOYSA-N 0 3 344.350 2.214 20 5 EEBDHN CCn1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056602 314743342 /nfs/dbraw/zinc/74/33/42/314743342.db2.gz ZMLRUIORNDLVEU-GJZGRUSLSA-N 0 3 345.403 2.246 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000440317942 315123783 /nfs/dbraw/zinc/12/37/83/315123783.db2.gz QUSSNFHCHAYTRA-LBPRGKRZSA-N 0 3 337.424 2.121 20 5 EEBDHN CC(C)(CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000523302643 316984823 /nfs/dbraw/zinc/98/48/23/316984823.db2.gz YXWWRFFRUZDIPQ-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccccc3F)CC2)c1 ZINC000525785000 317076406 /nfs/dbraw/zinc/07/64/06/317076406.db2.gz SXXCFYBMOFVZPI-HNNXBMFYSA-N 0 3 348.378 2.171 20 5 EEBDHN C[C@H](NC(C)(C)CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548741221 318408742 /nfs/dbraw/zinc/40/87/42/318408742.db2.gz IAMNBRZAPWCVTF-NSHDSACASA-N 0 3 331.376 2.177 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOC1CCCCC1 ZINC000563528980 319019687 /nfs/dbraw/zinc/01/96/87/319019687.db2.gz RFRIHFGFNABZGD-AWEZNQCLSA-N 0 3 338.404 2.273 20 5 EEBDHN CC(C)[C@@]1(C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860854 319119463 /nfs/dbraw/zinc/11/94/63/319119463.db2.gz WEIORJNVQAUDDB-HUUCEWRRSA-N 0 3 326.418 2.393 20 5 EEBDHN C[C@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000183438617 323406867 /nfs/dbraw/zinc/40/68/67/323406867.db2.gz YRBJSSBGRVWHBJ-NSHDSACASA-N 0 3 349.366 2.234 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183468505 323407808 /nfs/dbraw/zinc/40/78/08/323407808.db2.gz RXPWVNLQSXJNFR-JGGQBBKZSA-N 0 3 335.404 2.190 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000491353253 448003247 /nfs/dbraw/zinc/00/32/47/448003247.db2.gz UWSUPYMTPWBSGW-SREVYHEPSA-N 0 3 329.360 2.005 20 5 EEBDHN Cn1cc(CN2C[C@H](F)C[C@H]2CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859863 465196864 /nfs/dbraw/zinc/19/68/64/465196864.db2.gz CRWRJZHQZCWBNN-WBVHZDCISA-N 0 3 347.394 2.031 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000152557123 462546631 /nfs/dbraw/zinc/54/66/31/462546631.db2.gz YHFDGWLOKZOOTK-OCCSQVGLSA-N 0 3 348.403 2.087 20 5 EEBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000074137539 462561037 /nfs/dbraw/zinc/56/10/37/462561037.db2.gz KNSKRQGJHPBFTC-UHFFFAOYSA-N 0 3 348.447 2.051 20 5 EEBDHN CCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000045798217 462619161 /nfs/dbraw/zinc/61/91/61/462619161.db2.gz OCVHRUWJYQHBAZ-UHFFFAOYSA-N 0 3 341.433 2.056 20 5 EEBDHN CC(C)C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000114140192 462628261 /nfs/dbraw/zinc/62/82/61/462628261.db2.gz WDQFGZIGUBIMCC-NSHDSACASA-N 0 3 326.372 2.022 20 5 EEBDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075843360 462764380 /nfs/dbraw/zinc/76/43/80/462764380.db2.gz KWXIJOVVCKPDSZ-DQYPLSBCSA-N 0 3 348.378 2.374 20 5 EEBDHN CN(CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000065434355 462770196 /nfs/dbraw/zinc/77/01/96/462770196.db2.gz CWMAZDZDRLCYEO-UHFFFAOYSA-N 0 3 346.431 2.022 20 5 EEBDHN Cc1ccc(NC(=O)NC2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000075954772 462776743 /nfs/dbraw/zinc/77/67/43/462776743.db2.gz RZLUVCPMJJZMEU-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268838 462833152 /nfs/dbraw/zinc/83/31/52/462833152.db2.gz VLRAQTLTJMTWPU-AAEUAGOBSA-N 0 3 328.376 2.214 20 5 EEBDHN Cc1c(NC(=O)CCN2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000118852788 462857717 /nfs/dbraw/zinc/85/77/17/462857717.db2.gz UEUDUQPVQOUHCQ-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000156019179 462969416 /nfs/dbraw/zinc/96/94/16/462969416.db2.gz UEEZLJJHCGMHTN-INIZCTEOSA-N 0 3 330.388 2.064 20 5 EEBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157441363 463132670 /nfs/dbraw/zinc/13/26/70/463132670.db2.gz GQWQANLKKLWKMO-CYBMUJFWSA-N 0 3 341.375 2.065 20 5 EEBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053992123 463201415 /nfs/dbraw/zinc/20/14/15/463201415.db2.gz XREYZQXNJIELTD-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN CNc1cc(N2CCC[C@H]2CNCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000105797641 463465497 /nfs/dbraw/zinc/46/54/97/463465497.db2.gz XMUOTGKDZXBJDH-HNNXBMFYSA-N 0 3 342.403 2.185 20 5 EEBDHN CN(C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000109806990 463651228 /nfs/dbraw/zinc/65/12/28/463651228.db2.gz GVLJZWFXETUBGX-LBPRGKRZSA-N 0 3 340.811 2.213 20 5 EEBDHN CO[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971152 468387608 /nfs/dbraw/zinc/38/76/08/468387608.db2.gz RUIOKFSXEAHGSR-HZPDHXFCSA-N 0 3 334.372 2.413 20 5 EEBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000263722144 464167388 /nfs/dbraw/zinc/16/73/88/464167388.db2.gz KAEVEVKELIWXEM-OKILXGFUSA-N 0 3 334.420 2.315 20 5 EEBDHN Cc1ccc([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978325 464217622 /nfs/dbraw/zinc/21/76/22/464217622.db2.gz DBCUIRNVXPPQGS-HIFRSBDPSA-N 0 3 336.388 2.476 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292417132 464226502 /nfs/dbraw/zinc/22/65/02/464226502.db2.gz WFKBHXPPHBZZPY-SFHVURJKSA-N 0 3 346.431 2.265 20 5 EEBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778590 464381788 /nfs/dbraw/zinc/38/17/88/464381788.db2.gz LDINLXZOLYSUEH-SWLSCSKDSA-N 0 3 340.330 2.171 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CCOCC3)o2)c1 ZINC000237995365 464416620 /nfs/dbraw/zinc/41/66/20/464416620.db2.gz HRKLHMYUXGHWGM-UHFFFAOYSA-N 0 3 331.372 2.277 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000294236285 464441052 /nfs/dbraw/zinc/44/10/52/464441052.db2.gz TTWDJBKOZLDZLK-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285170668 464474934 /nfs/dbraw/zinc/47/49/34/464474934.db2.gz QPHORUCTAFSQTA-NSHDSACASA-N 0 3 337.376 2.101 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593883602 468420176 /nfs/dbraw/zinc/42/01/76/468420176.db2.gz PHMNQHDCXUAYIT-UHFFFAOYSA-N 0 3 334.420 2.341 20 5 EEBDHN C[C@@H]1CSCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248989973 464827830 /nfs/dbraw/zinc/82/78/30/464827830.db2.gz GZQZOTBZNWWYSW-GXTWGEPZSA-N 0 3 326.418 2.019 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238812 464987171 /nfs/dbraw/zinc/98/71/71/464987171.db2.gz OKPOBBSVYUZVHD-YGRLFVJLSA-N 0 3 328.372 2.289 20 5 EEBDHN CC[C@@H](C)N[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000359547302 465446452 /nfs/dbraw/zinc/44/64/52/465446452.db2.gz RTYMJFGUFQRAFH-TZMCWYRMSA-N 0 3 349.391 2.020 20 5 EEBDHN CC1CCN(C[C@H](O)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352360969 465518601 /nfs/dbraw/zinc/51/86/01/465518601.db2.gz PHMUZUYWLMZYJH-OAHLLOKOSA-N 0 3 344.415 2.648 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CC1 ZINC000360647478 465589007 /nfs/dbraw/zinc/58/90/07/465589007.db2.gz OVMCDMOYZJOAKJ-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000361011776 465702573 /nfs/dbraw/zinc/70/25/73/465702573.db2.gz DBEICSIDDSLVTC-QWHCGFSZSA-N 0 3 339.465 2.136 20 5 EEBDHN COc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344609551 465720086 /nfs/dbraw/zinc/72/00/86/465720086.db2.gz GYBAHLVBFBLQAL-HNNXBMFYSA-N 0 3 335.404 2.454 20 5 EEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000353266113 465759021 /nfs/dbraw/zinc/75/90/21/465759021.db2.gz JCBXKMPZKQEHLI-OAHLLOKOSA-N 0 3 346.431 2.453 20 5 EEBDHN C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000338062124 465790764 /nfs/dbraw/zinc/79/07/64/465790764.db2.gz GEEPOXNVWICSNL-CZUORRHYSA-N 0 3 334.420 2.261 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000371626978 465908072 /nfs/dbraw/zinc/90/80/72/465908072.db2.gz HKRAXNYHQLRGGQ-AWEZNQCLSA-N 0 3 340.383 2.062 20 5 EEBDHN Cn1ccnc1[C@@H](NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625070 466019442 /nfs/dbraw/zinc/01/94/42/466019442.db2.gz VKAWZHQRHCONBM-KRWDZBQOSA-N 0 3 341.415 2.269 20 5 EEBDHN CN(C)CCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301762728 466027550 /nfs/dbraw/zinc/02/75/50/466027550.db2.gz CBSNYJUQIIWZKE-UHFFFAOYSA-N 0 3 328.363 2.311 20 5 EEBDHN CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000302241758 466125721 /nfs/dbraw/zinc/12/57/21/466125721.db2.gz INSGWOWZEUDYHL-UHFFFAOYSA-N 0 3 341.843 2.471 20 5 EEBDHN Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000353801653 466161059 /nfs/dbraw/zinc/16/10/59/466161059.db2.gz JWSRIZOTUUVXBB-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000367535507 466399834 /nfs/dbraw/zinc/39/98/34/466399834.db2.gz IQZUGRULKUSYKD-LSDHHAIUSA-N 0 3 347.415 2.113 20 5 EEBDHN CCN1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332188835 466435683 /nfs/dbraw/zinc/43/56/83/466435683.db2.gz BVRTWTZZASBNQV-STQMWFEESA-N 0 3 335.404 2.376 20 5 EEBDHN Cc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709876 466975390 /nfs/dbraw/zinc/97/53/90/466975390.db2.gz RVTGAQBOCIGCGN-FUHWJXTLSA-N 0 3 346.475 2.361 20 5 EEBDHN C[C@H](CN1CCN(C)CC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413134011 467176348 /nfs/dbraw/zinc/17/63/48/467176348.db2.gz KOTQLTLJPVRLSA-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000420003120 467284573 /nfs/dbraw/zinc/28/45/73/467284573.db2.gz UPDSJKDSKOATAN-QGZVFWFLSA-N 0 3 337.420 2.151 20 5 EEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1 ZINC000420212843 467322735 /nfs/dbraw/zinc/32/27/35/467322735.db2.gz UGMRIXFVTNKIGE-CYBMUJFWSA-N 0 3 328.372 2.367 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420464675 467416100 /nfs/dbraw/zinc/41/61/00/467416100.db2.gz KJKUGZDYBVASET-QWHCGFSZSA-N 0 3 341.433 2.007 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414504186 467416645 /nfs/dbraw/zinc/41/66/45/467416645.db2.gz XOPTUORHCHXKQX-ZYHUDNBSSA-N 0 3 340.401 2.130 20 5 EEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420635256 467439081 /nfs/dbraw/zinc/43/90/81/467439081.db2.gz LVJONJKSVATOTR-HNNXBMFYSA-N 0 3 346.431 2.361 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000420827522 467492715 /nfs/dbraw/zinc/49/27/15/467492715.db2.gz CFOREQVLMLXPFO-CYBMUJFWSA-N 0 3 340.811 2.484 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449658589 467680062 /nfs/dbraw/zinc/68/00/62/467680062.db2.gz BEJFGDMBWSCGIU-BXKDBHETSA-N 0 3 345.371 2.189 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CCN(C)[C@H](C)C1 ZINC000450351787 467833732 /nfs/dbraw/zinc/83/37/32/467833732.db2.gz ABSIFOOKRVNYAR-NEPJUHHUSA-N 0 3 330.388 2.468 20 5 EEBDHN C[C@@H]1CN(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352099 467892779 /nfs/dbraw/zinc/89/27/79/467892779.db2.gz MIHMKKAZVVSWMZ-MVGZEHJDSA-N 0 3 347.415 2.225 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690146 467964788 /nfs/dbraw/zinc/96/47/88/467964788.db2.gz YQZAUMCCHXFPGZ-YLQAJVPDSA-N 0 3 335.404 2.371 20 5 EEBDHN COc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197802 468509679 /nfs/dbraw/zinc/50/96/79/468509679.db2.gz PWEYRUIJNZYPHL-HUUCEWRRSA-N 0 3 347.415 2.279 20 5 EEBDHN NC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000594523788 468615136 /nfs/dbraw/zinc/61/51/36/468615136.db2.gz DEZVBZYVRCMGCI-LBPRGKRZSA-N 0 3 346.309 2.158 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594598711 468631454 /nfs/dbraw/zinc/63/14/54/468631454.db2.gz HQEZMEYAVPPOIY-CVEARBPZSA-N 0 3 332.404 2.383 20 5 EEBDHN Cc1c(Br)c(N2CCNC[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000600947559 468693488 /nfs/dbraw/zinc/69/34/88/468693488.db2.gz MKTHEAVCEDXNFO-SNVBAGLBSA-N 0 3 343.225 2.495 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)N1CCOCC1 ZINC000595004079 468741860 /nfs/dbraw/zinc/74/18/60/468741860.db2.gz NELLHIGWYRBVSE-ZDUSSCGKSA-N 0 3 337.420 2.365 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)CN1CCOCC1 ZINC000595007746 468741900 /nfs/dbraw/zinc/74/19/00/468741900.db2.gz JNDOURIGYFLRCQ-UONOGXRCSA-N 0 3 337.420 2.222 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000598342810 468837712 /nfs/dbraw/zinc/83/77/12/468837712.db2.gz NHPQLOPHTZUEEG-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C1CC1 ZINC000593131691 468881737 /nfs/dbraw/zinc/88/17/37/468881737.db2.gz SLNLBUKDPCTKIH-LSDHHAIUSA-N 0 3 334.372 2.234 20 5 EEBDHN O=[N+]([O-])c1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nc1C1CC1 ZINC000601958894 469112026 /nfs/dbraw/zinc/11/20/26/469112026.db2.gz OWMMIUALLUKYAN-GOSISDBHSA-N 0 3 342.399 2.306 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066364 469157874 /nfs/dbraw/zinc/15/78/74/469157874.db2.gz NJCPSYXAKNAEMN-CABCVRRESA-N 0 3 333.388 2.085 20 5 EEBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611092503 469160055 /nfs/dbraw/zinc/16/00/55/469160055.db2.gz WJPQXKDNFIBCAI-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000596152717 469177271 /nfs/dbraw/zinc/17/72/71/469177271.db2.gz NYXLLJABZMFSBJ-CYBMUJFWSA-N 0 3 335.795 2.940 20 5 EEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244105 469207438 /nfs/dbraw/zinc/20/74/38/469207438.db2.gz AXGLRTQEFNGFKB-DYVFJYSZSA-N 0 3 346.431 2.070 20 5 EEBDHN CN1CCC[C@@H](N2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270937 469215490 /nfs/dbraw/zinc/21/54/90/469215490.db2.gz UREYHTSPRSQEDE-NCRRVARUSA-N 0 3 344.459 2.320 20 5 EEBDHN O=[N+]([O-])c1ccc2ncnc(NC3CCN([C@H]4CCOC4)CC3)c2c1 ZINC000611711811 469307693 /nfs/dbraw/zinc/30/76/93/469307693.db2.gz RHUQQVKODZQWMO-AWEZNQCLSA-N 0 3 343.387 2.203 20 5 EEBDHN O=[N+]([O-])c1sc(CNCCCn2cncn2)cc1Br ZINC000602542787 469354733 /nfs/dbraw/zinc/35/47/33/469354733.db2.gz XMDOCNOAXSVLJQ-UHFFFAOYSA-N 0 3 346.210 2.190 20 5 EEBDHN CC[C@H](CN1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609833420 469964310 /nfs/dbraw/zinc/96/43/10/469964310.db2.gz IGIKRGJHOJRKKW-LLVKDONJSA-N 0 3 331.376 2.075 20 5 EEBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(C)CC1 ZINC000191634973 527907547 /nfs/dbraw/zinc/90/75/47/527907547.db2.gz RGTIARLGOJVCEG-UHFFFAOYSA-N 0 3 334.420 2.369 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000160030245 528279328 /nfs/dbraw/zinc/27/93/28/528279328.db2.gz FMMTVCKQTWCRIK-LLVKDONJSA-N 0 3 337.405 2.192 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000160030245 528279332 /nfs/dbraw/zinc/27/93/32/528279332.db2.gz FMMTVCKQTWCRIK-LLVKDONJSA-N 0 3 337.405 2.192 20 5 EEBDHN CCNC(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276471 577456385 /nfs/dbraw/zinc/45/63/85/577456385.db2.gz KBDNBZOMMTXEED-KRWDZBQOSA-N 0 3 343.383 2.168 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758267612 577620531 /nfs/dbraw/zinc/62/05/31/577620531.db2.gz JIEQKBFVTGJFIP-OAHLLOKOSA-N 0 3 336.461 2.086 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759113460 577637349 /nfs/dbraw/zinc/63/73/49/577637349.db2.gz DJFIVNSDCDJBFT-INIZCTEOSA-N 0 3 332.404 2.321 20 5 EEBDHN COCCOc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749688266 577980061 /nfs/dbraw/zinc/98/00/61/577980061.db2.gz KLJAQEGCVOKGIR-KRWDZBQOSA-N 0 3 346.383 2.443 20 5 EEBDHN C[NH+](C)CC1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000825859012 607542553 /nfs/dbraw/zinc/54/25/53/607542553.db2.gz BRGHFHGMABLEIV-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN C[NH+](C)CC1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000825859012 607542554 /nfs/dbraw/zinc/54/25/54/607542554.db2.gz BRGHFHGMABLEIV-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001059688123 688141790 /nfs/dbraw/zinc/14/17/90/688141790.db2.gz KZMPYMOFKFKSEL-PHIMTYICSA-N 0 3 347.350 2.067 20 5 EEBDHN COCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001128846243 1195800325 /nfs/dbraw/zinc/80/03/25/1195800325.db2.gz MUAOELRTNRTJMD-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN CC(C)CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000825891207 1199710540 /nfs/dbraw/zinc/71/05/40/1199710540.db2.gz HGDKZRIOTTZFIW-QGZVFWFLSA-N 0 3 349.431 2.207 20 5 EEBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001133193583 1200578161 /nfs/dbraw/zinc/57/81/61/1200578161.db2.gz WYPDBQUKMWXXHQ-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CC(=O)Nc1ccc(S[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102284 1201097558 /nfs/dbraw/zinc/09/75/58/1201097558.db2.gz DEGAVYBJEQCBPP-VHSXEESVSA-N 0 3 326.374 2.334 20 5 EEBDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111498 1201123723 /nfs/dbraw/zinc/12/37/23/1201123723.db2.gz TZFLRTQLBTUITI-SNVBAGLBSA-N 0 3 335.335 2.379 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097203527 1243818777 /nfs/dbraw/zinc/81/87/77/1243818777.db2.gz NEFKXDQFZCFCGB-TXEJJXNPSA-N 0 3 338.383 2.135 20 5 EEBDHN C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665447 1301116985 /nfs/dbraw/zinc/11/69/85/1301116985.db2.gz ZPEAYWLHKBSRJK-VXGBXAGGSA-N 0 3 330.344 2.305 20 5 EEBDHN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665447 1301116990 /nfs/dbraw/zinc/11/69/90/1301116990.db2.gz ZPEAYWLHKBSRJK-VXGBXAGGSA-N 0 3 330.344 2.305 20 5 EEBDHN CN1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229946630 1302995143 /nfs/dbraw/zinc/99/51/43/1302995143.db2.gz QXZSECLGSKJWJE-VIFPVBQESA-N 0 3 348.140 2.282 20 5 EEBDHN C[C@]1(CO)CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219473 1304042076 /nfs/dbraw/zinc/04/20/76/1304042076.db2.gz URJRNUQAVSOUQY-FXAWDEMLSA-N 0 3 337.423 2.348 20 5 EEBDHN COC1(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)CNC1 ZINC001247765142 1310717902 /nfs/dbraw/zinc/71/79/02/1310717902.db2.gz DQZJMYFLBLOVCH-UHFFFAOYSA-N 0 3 347.378 2.364 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839576430 1315217055 /nfs/dbraw/zinc/21/70/55/1315217055.db2.gz GCHJVSBSHRPBKH-MRXNPFEDSA-N 0 3 346.387 2.142 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3ccncn3)CC2)cc1 ZINC000839621393 1315221405 /nfs/dbraw/zinc/22/14/05/1315221405.db2.gz FKDXAMLJDQLBIE-KRWDZBQOSA-N 0 3 328.372 2.298 20 5 EEBDHN O=C(CCCn1cccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001152026264 1316622892 /nfs/dbraw/zinc/62/28/92/1316622892.db2.gz HQJSMQDLZVZIIT-UHFFFAOYSA-N 0 3 330.388 2.083 20 5 EEBDHN COc1cc(-n2cncc2CNCc2ccccc2)ncc1[N+](=O)[O-] ZINC001156481952 1318032899 /nfs/dbraw/zinc/03/28/99/1318032899.db2.gz AFNABFVDQOTOPD-UHFFFAOYSA-N 0 3 339.355 2.474 20 5 EEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(F)cc1 ZINC001254586976 1318134979 /nfs/dbraw/zinc/13/49/79/1318134979.db2.gz UOVXQZDJFOBVBN-INIZCTEOSA-N 0 3 343.358 2.107 20 5 EEBDHN CC(C)n1nccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001158864146 1319476393 /nfs/dbraw/zinc/47/63/93/1319476393.db2.gz PUAOTLSJOJTULP-UHFFFAOYSA-N 0 3 345.403 2.282 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2nc1[C@H](C)N ZINC001162777635 1320955108 /nfs/dbraw/zinc/95/51/08/1320955108.db2.gz DKTWIQWABJTSCX-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001163082507 1321030720 /nfs/dbraw/zinc/03/07/20/1321030720.db2.gz XVFXBHXXUILZBE-UHFFFAOYSA-N 0 3 333.360 2.298 20 5 EEBDHN CC(=O)Nc1ccc(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163649937 1321181128 /nfs/dbraw/zinc/18/11/28/1321181128.db2.gz HBNGUQBDHGRCBO-DLBZAZTESA-N 0 3 348.403 2.266 20 5 EEBDHN COc1cc2ncnc(N3CCN(C(C)C)[C@H](C)C3)c2cc1[N+](=O)[O-] ZINC001165199288 1321469957 /nfs/dbraw/zinc/46/99/57/1321469957.db2.gz OEEMUNGRWFFWSD-GFCCVEGCSA-N 0 3 345.403 2.466 20 5 EEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001609277233 1351919039 /nfs/dbraw/zinc/91/90/39/1351919039.db2.gz OMNATOHVJUZIBW-UHFFFAOYSA-N 0 3 328.376 2.395 20 5 EEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001609277233 1351919040 /nfs/dbraw/zinc/91/90/40/1351919040.db2.gz OMNATOHVJUZIBW-UHFFFAOYSA-N 0 3 328.376 2.395 20 5 EEBDHN C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001609277233 1351919042 /nfs/dbraw/zinc/91/90/42/1351919042.db2.gz OMNATOHVJUZIBW-UHFFFAOYSA-N 0 3 328.376 2.395 20 5 EEBDHN C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001609277233 1351919044 /nfs/dbraw/zinc/91/90/44/1351919044.db2.gz OMNATOHVJUZIBW-UHFFFAOYSA-N 0 3 328.376 2.395 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001331680146 1335057309 /nfs/dbraw/zinc/05/73/09/1335057309.db2.gz MQRKZLBKRGPFJY-SMDDNHRTSA-N 0 3 330.388 2.245 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccnc([C@@H]2CCCN2)n1 ZINC001580570320 1344538933 /nfs/dbraw/zinc/53/89/33/1344538933.db2.gz YKFLBGGDTLWNMI-LBPRGKRZSA-N 0 3 345.334 2.130 20 5 EEBDHN C[C@@H]1CCC[N@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261978 1349238010 /nfs/dbraw/zinc/23/80/10/1349238010.db2.gz RVFAPPPKPGPTRI-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H]1CCC[N@@H+](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261978 1349238013 /nfs/dbraw/zinc/23/80/13/1349238013.db2.gz RVFAPPPKPGPTRI-SNVBAGLBSA-N 0 3 349.370 2.058 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603905452 1350799614 /nfs/dbraw/zinc/79/96/14/1350799614.db2.gz JVNGJPUVLTUYLU-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603905452 1350799617 /nfs/dbraw/zinc/79/96/17/1350799617.db2.gz JVNGJPUVLTUYLU-LBPRGKRZSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603905451 1350799676 /nfs/dbraw/zinc/79/96/76/1350799676.db2.gz JVNGJPUVLTUYLU-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603905451 1350799678 /nfs/dbraw/zinc/79/96/78/1350799678.db2.gz JVNGJPUVLTUYLU-GFCCVEGCSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000815593785 1368043851 /nfs/dbraw/zinc/04/38/51/1368043851.db2.gz XDSSAIMRYWYCTH-WBMJQRKESA-N 0 3 334.420 2.475 20 5 EEBDHN Cc1nn(CN2CCN(CC(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543026 774053214 /nfs/dbraw/zinc/05/32/14/774053214.db2.gz WVJHDFNZPQJPHZ-UHFFFAOYSA-N 0 3 331.420 2.484 20 5 EEBDHN CN1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993929 783450241 /nfs/dbraw/zinc/45/02/41/783450241.db2.gz IRYWMZGXTGQXNS-SECBINFHSA-N 0 3 348.140 2.282 20 5 EEBDHN O=C1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173228 785447230 /nfs/dbraw/zinc/44/72/30/785447230.db2.gz KZCSJGNLOGXXFL-YOEHRIQHSA-N 0 3 347.415 2.151 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C2(N(C)C)CCC2)n1 ZINC001109547693 805650014 /nfs/dbraw/zinc/65/00/14/805650014.db2.gz ONDHWBYJNFKBCM-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107233223 786549523 /nfs/dbraw/zinc/54/95/23/786549523.db2.gz MRUDGLQMHWTLEP-SNAWJCMRSA-N 0 3 338.383 2.158 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107392108 787106768 /nfs/dbraw/zinc/10/67/68/787106768.db2.gz UOEOQXDESQWFEM-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN CN(CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC001107513891 787470831 /nfs/dbraw/zinc/47/08/31/787470831.db2.gz QCASRNKOBRAAAR-WAYWQWQTSA-N 0 3 349.435 2.052 20 5 EEBDHN CCCN(C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089951076 795387284 /nfs/dbraw/zinc/38/72/84/795387284.db2.gz XKYBQYBNWYUCDF-UHFFFAOYSA-N 0 3 349.435 2.030 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)c2cccnc2)c1F ZINC001173180524 797278504 /nfs/dbraw/zinc/27/85/04/797278504.db2.gz RGQLKUPKVQOYMC-BXUZGUMPSA-N 0 3 349.362 2.392 20 5 EEBDHN CCOC(=O)C1=C(O)CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227119 797311045 /nfs/dbraw/zinc/31/10/45/797311045.db2.gz OFRBZEVGOBRFQD-CJNGLKHVSA-N 0 3 348.399 2.370 20 5 EEBDHN CCN(CCNc1nccc(C)c1[N+](=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC001106874244 797634759 /nfs/dbraw/zinc/63/47/59/797634759.db2.gz YNHFXALYPNVGNA-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C1=CCCC1 ZINC001178184488 799326771 /nfs/dbraw/zinc/32/67/71/799326771.db2.gz JBZQOOFTEXOZFG-UHFFFAOYSA-N 0 3 349.435 2.205 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCCCO)CC1 ZINC000787406489 807118736 /nfs/dbraw/zinc/11/87/36/807118736.db2.gz ODAJASLSVANGHK-SSZFMOIBSA-N 0 3 333.432 2.388 20 5 EEBDHN COc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC001131037138 812314552 /nfs/dbraw/zinc/31/45/52/812314552.db2.gz KLQBLLIOZHXFHJ-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN Cc1cncc(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001131136055 812426503 /nfs/dbraw/zinc/42/65/03/812426503.db2.gz SUHCMBVVIRLELG-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN Cc1cc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])cc1Br ZINC001170573849 813020432 /nfs/dbraw/zinc/02/04/32/813020432.db2.gz LDNRPJHEEICGKS-NOZJJQNGSA-N 0 3 344.209 2.455 20 5 EEBDHN C[C@@]([NH2+]CCCN1CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593268444 994593407 /nfs/dbraw/zinc/59/34/07/994593407.db2.gz UYVFTUBNWCPSST-KRWDZBQOSA-N 0 3 335.404 2.360 20 5 EEBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000068192347 215289285 /nfs/dbraw/zinc/28/92/85/215289285.db2.gz KZBVCMHDUOFPEJ-UHFFFAOYSA-N 0 3 332.404 2.335 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000181576339 234239988 /nfs/dbraw/zinc/23/99/88/234239988.db2.gz YCHSFYGAJCPZEX-GFCCVEGCSA-N 0 3 327.768 2.201 20 5 EEBDHN COc1cc(C(=O)NC(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1F ZINC000411085900 238339563 /nfs/dbraw/zinc/33/95/63/238339563.db2.gz MYCXNZGLYNRACL-UHFFFAOYSA-N 0 3 339.367 2.347 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000446040536 242150800 /nfs/dbraw/zinc/15/08/00/242150800.db2.gz ASZIMBNMQOOYJX-UHFFFAOYSA-N 0 3 335.404 2.086 20 5 EEBDHN C[C@](O)(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573911 242291417 /nfs/dbraw/zinc/29/14/17/242291417.db2.gz JOHIQEKWSKLQFR-NHCYSSNCSA-N 0 3 336.314 2.178 20 5 EEBDHN Cc1c(NC(=O)CCN2CCN(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000265158715 247256780 /nfs/dbraw/zinc/25/67/80/247256780.db2.gz VIXULSJJRDNRBV-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117783652 221088597 /nfs/dbraw/zinc/08/85/97/221088597.db2.gz SEAGSOHXDCIDSH-CYBMUJFWSA-N 0 3 325.796 2.343 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268140437 256117909 /nfs/dbraw/zinc/11/79/09/256117909.db2.gz KEKSSDATBGCSBG-GXFFZTMASA-N 0 3 334.376 2.061 20 5 EEBDHN COc1cc(CN2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306956 256372822 /nfs/dbraw/zinc/37/28/22/256372822.db2.gz LCJIYOXHVFJKML-ZFWWWQNUSA-N 0 3 343.424 2.220 20 5 EEBDHN CCN(CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000128814384 292347519 /nfs/dbraw/zinc/34/75/19/292347519.db2.gz PESBBECAUWPMFK-UHFFFAOYSA-N 0 3 330.388 2.219 20 5 EEBDHN CN1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000132219989 292398631 /nfs/dbraw/zinc/39/86/31/292398631.db2.gz ACOFDBZIWQMDDS-GFCCVEGCSA-N 0 3 330.388 2.077 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000245395341 160231134 /nfs/dbraw/zinc/23/11/34/160231134.db2.gz HNIKWDRUFFWLPO-CZUORRHYSA-N 0 3 332.404 2.092 20 5 EEBDHN CCOC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248373099 160342433 /nfs/dbraw/zinc/34/24/33/160342433.db2.gz GGLVZAUHKZEUGD-HUUCEWRRSA-N 0 3 338.404 2.083 20 5 EEBDHN Cc1cc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000342588245 161076096 /nfs/dbraw/zinc/07/60/96/161076096.db2.gz CMVZBEUZNXKYGP-NSHDSACASA-N 0 3 331.376 2.144 20 5 EEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC[C@@H]1C ZINC000342850818 161095708 /nfs/dbraw/zinc/09/57/08/161095708.db2.gz CBAUJZLYYJOQPV-WDEREUQCSA-N 0 3 338.383 2.309 20 5 EEBDHN CN(CCc1ccccc1O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344163802 161203723 /nfs/dbraw/zinc/20/37/23/161203723.db2.gz NMVWVFWCGFNVMP-HNNXBMFYSA-N 0 3 346.383 2.215 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000344737068 161241459 /nfs/dbraw/zinc/24/14/59/161241459.db2.gz XZKYOTXINJTZGD-OAHLLOKOSA-N 0 3 335.404 2.210 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000344864179 161251876 /nfs/dbraw/zinc/25/18/76/161251876.db2.gz LQGVKORNUZISHI-MQZKNQHPSA-N 0 3 347.415 2.224 20 5 EEBDHN CN(CCCNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000345003927 161263367 /nfs/dbraw/zinc/26/33/67/161263367.db2.gz GNMXGQXMRYQHIG-UHFFFAOYSA-N 0 3 330.388 2.185 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000345318003 161291276 /nfs/dbraw/zinc/29/12/76/161291276.db2.gz LJSTYAPYKCNZCM-YGRLFVJLSA-N 0 3 344.371 2.061 20 5 EEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854289 161337607 /nfs/dbraw/zinc/33/76/07/161337607.db2.gz MXFBCZGFNKVLSQ-NWDGAFQWSA-N 0 3 343.330 2.201 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])s1 ZINC000355352198 163157357 /nfs/dbraw/zinc/15/73/57/163157357.db2.gz ZXYXOUXFRQXNTP-ZDUSSCGKSA-N 0 3 347.396 2.475 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CCOCC1 ZINC000359876919 164189704 /nfs/dbraw/zinc/18/97/04/164189704.db2.gz PTKQCCHFOBNVID-INIZCTEOSA-N 0 3 338.404 2.259 20 5 EEBDHN Cc1cc(NCCC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272782947 269019700 /nfs/dbraw/zinc/01/97/00/269019700.db2.gz ASVXCNXUWQVSNW-UHFFFAOYSA-N 0 3 344.371 2.112 20 5 EEBDHN CNC(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277473079 269158490 /nfs/dbraw/zinc/15/84/90/269158490.db2.gz QDNXKNFSBLTXBZ-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c3nonc32)CCCO1 ZINC000277794923 269183663 /nfs/dbraw/zinc/18/36/63/269183663.db2.gz XKZMCXBTODWOJE-LLVKDONJSA-N 0 3 335.364 2.044 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279361753 269274165 /nfs/dbraw/zinc/27/41/65/269274165.db2.gz GECWEKVSGOFBLA-NSHDSACASA-N 0 3 338.383 2.310 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188731074 274032742 /nfs/dbraw/zinc/03/27/42/274032742.db2.gz BDOKVVGFGWFVJV-LBPRGKRZSA-N 0 3 335.404 2.374 20 5 EEBDHN CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275101926 274222788 /nfs/dbraw/zinc/22/27/88/274222788.db2.gz KDCHDDFJYKLNAP-RYUDHWBXSA-N 0 3 341.458 2.308 20 5 EEBDHN CCCN(CCN1CCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285794278 274793737 /nfs/dbraw/zinc/79/37/37/274793737.db2.gz FODBJJWXCVWWAB-UHFFFAOYSA-N 0 3 348.447 2.365 20 5 EEBDHN CCOC(=O)c1ccnc(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286509090 274879107 /nfs/dbraw/zinc/87/91/07/274879107.db2.gz YVWCFVYTPZODTQ-CHWSQXEVSA-N 0 3 348.403 2.230 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000288527075 275067088 /nfs/dbraw/zinc/06/70/88/275067088.db2.gz UIRHESCOUUSXHP-GXTWGEPZSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1nnc(CCN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000289589843 275130394 /nfs/dbraw/zinc/13/03/94/275130394.db2.gz BYWDIMVPVMSTFF-SNVBAGLBSA-N 0 3 349.416 2.304 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1COC[C@@H]1OC ZINC000290069864 275176619 /nfs/dbraw/zinc/17/66/19/275176619.db2.gz FZXOLFWCEAAEQD-DYEKYZERSA-N 0 3 326.418 2.469 20 5 EEBDHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346258672 295285087 /nfs/dbraw/zinc/28/50/87/295285087.db2.gz IQOHHUKRDYWKMP-UMVBOHGHSA-N 0 3 347.415 2.406 20 5 EEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237996891 303420938 /nfs/dbraw/zinc/42/09/38/303420938.db2.gz KJXBOCUWYJQNKL-KOLCDFICSA-N 0 3 347.824 2.044 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200961 312819484 /nfs/dbraw/zinc/81/94/84/312819484.db2.gz VQXYHSYJYSVPFW-OAHLLOKOSA-N 0 3 330.388 2.300 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421004628 314020894 /nfs/dbraw/zinc/02/08/94/314020894.db2.gz OKKHSYOOOWSONX-KGLIPLIRSA-N 0 3 334.420 2.256 20 5 EEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440077437 315110609 /nfs/dbraw/zinc/11/06/09/315110609.db2.gz MCYRLXMRWBEILK-ZDUSSCGKSA-N 0 3 343.449 2.220 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792212 319110388 /nfs/dbraw/zinc/11/03/88/319110388.db2.gz CXWZZDMRXHCJFA-WRSAYESZSA-N 0 3 344.367 2.446 20 5 EEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1N(C)C ZINC000565230564 319164841 /nfs/dbraw/zinc/16/48/41/319164841.db2.gz SVMRSHYTXUESDM-STQMWFEESA-N 0 3 340.449 2.259 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000567161622 319353522 /nfs/dbraw/zinc/35/35/22/319353522.db2.gz GGFPZKPSSZMEOO-ONGXEEELSA-N 0 3 342.808 2.144 20 5 EEBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000575427631 320105555 /nfs/dbraw/zinc/10/55/55/320105555.db2.gz WZQDMLCNUOGIEP-UHFFFAOYSA-N 0 3 346.431 2.144 20 5 EEBDHN N[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000575734135 320108960 /nfs/dbraw/zinc/10/89/60/320108960.db2.gz CCDDDGUZUOXPIZ-MRXNPFEDSA-N 0 3 340.383 2.363 20 5 EEBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000182319152 323372352 /nfs/dbraw/zinc/37/23/52/323372352.db2.gz QYPUFYFHURDNFF-GOEBONIOSA-N 0 3 333.388 2.031 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000339059702 465058624 /nfs/dbraw/zinc/05/86/24/465058624.db2.gz NYOLJJKPEVEPOT-UHFFFAOYSA-N 0 3 334.420 2.389 20 5 EEBDHN CO[C@@]1(C)C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165389 465101083 /nfs/dbraw/zinc/10/10/83/465101083.db2.gz KSDVQQWQLCYBCJ-YJBOKZPZSA-N 0 3 347.415 2.277 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341962898 465279631 /nfs/dbraw/zinc/27/96/31/465279631.db2.gz VJUNSOMTIRALNT-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1nc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645236 462703528 /nfs/dbraw/zinc/70/35/28/462703528.db2.gz MBSPYIHKLPQORN-CVEARBPZSA-N 0 3 342.399 2.346 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@]2(CCOC2)C1 ZINC000154066496 462726277 /nfs/dbraw/zinc/72/62/77/462726277.db2.gz JNTDQPWFLXGMKR-QGZVFWFLSA-N 0 3 347.371 2.005 20 5 EEBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394400 462787724 /nfs/dbraw/zinc/78/77/24/462787724.db2.gz OYXUBTGRZMDHMS-STQMWFEESA-N 0 3 345.403 2.307 20 5 EEBDHN C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000078689169 463141825 /nfs/dbraw/zinc/14/18/25/463141825.db2.gz KLFKBCQDDBOLJW-CQSZACIVSA-N 0 3 329.404 2.429 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069803475 463328068 /nfs/dbraw/zinc/32/80/68/463328068.db2.gz UMXOTARKKICIKQ-MRXNPFEDSA-N 0 3 349.431 2.018 20 5 EEBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000081597700 463467729 /nfs/dbraw/zinc/46/77/29/463467729.db2.gz UEZDWAYDQNAVQE-UHFFFAOYSA-N 0 3 346.431 2.144 20 5 EEBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162181644 463490531 /nfs/dbraw/zinc/49/05/31/463490531.db2.gz VCNZPXZCLKLZBT-LLVKDONJSA-N 0 3 329.784 2.183 20 5 EEBDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109805868 463651204 /nfs/dbraw/zinc/65/12/04/463651204.db2.gz YZXCCALQMZPQSK-GFCCVEGCSA-N 0 3 340.811 2.213 20 5 EEBDHN Cc1nc(NC[C@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000268427515 463740331 /nfs/dbraw/zinc/74/03/31/463740331.db2.gz AJPQETBTJGBTDI-INIZCTEOSA-N 0 3 342.399 2.129 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287313940 463867326 /nfs/dbraw/zinc/86/73/26/463867326.db2.gz WMENRAXSRMXYTO-VIFPVBQESA-N 0 3 331.825 2.407 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(Cn3cncn3)CC2)cc1 ZINC000186258893 463962570 /nfs/dbraw/zinc/96/25/70/463962570.db2.gz WVTISUKXNZTYJI-UHFFFAOYSA-N 0 3 345.403 2.367 20 5 EEBDHN CCN(CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000263744157 464175518 /nfs/dbraw/zinc/17/55/18/464175518.db2.gz OWFVCVHBCWENMU-UHFFFAOYSA-N 0 3 332.404 2.383 20 5 EEBDHN C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292333077 464199768 /nfs/dbraw/zinc/19/97/68/464199768.db2.gz JYKPWNWYXUYEHJ-CQSZACIVSA-N 0 3 347.415 2.306 20 5 EEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000263856327 464218333 /nfs/dbraw/zinc/21/83/33/464218333.db2.gz WJHTXOQJAGIKCI-HNNXBMFYSA-N 0 3 333.388 2.060 20 5 EEBDHN Cc1cc(OCC(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000281009864 464297776 /nfs/dbraw/zinc/29/77/76/464297776.db2.gz LOOZJEHGLCWPFE-OAHLLOKOSA-N 0 3 347.415 2.415 20 5 EEBDHN CN(C)[C@H]1CCC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443708 464312923 /nfs/dbraw/zinc/31/29/23/464312923.db2.gz VVTFKHUQKOLTLZ-UWVGGRQHSA-N 0 3 347.462 2.345 20 5 EEBDHN CN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284747462 464321897 /nfs/dbraw/zinc/32/18/97/464321897.db2.gz XFIJYLVMAOFEJQ-HUUCEWRRSA-N 0 3 325.796 2.153 20 5 EEBDHN CN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284747454 464322531 /nfs/dbraw/zinc/32/25/31/464322531.db2.gz XFIJYLVMAOFEJQ-CABCVRRESA-N 0 3 325.796 2.153 20 5 EEBDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000271667205 464357437 /nfs/dbraw/zinc/35/74/37/464357437.db2.gz FOZCHNPGBJYRME-DZGCQCFKSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCN1 ZINC000237790462 464380280 /nfs/dbraw/zinc/38/02/80/464380280.db2.gz JIRIRVIZAPHDNB-GOSISDBHSA-N 0 3 347.415 2.497 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCCC1 ZINC000294302976 464459272 /nfs/dbraw/zinc/45/92/72/464459272.db2.gz GNLJFRRSZXINLG-UHFFFAOYSA-N 0 3 333.388 2.160 20 5 EEBDHN COC(=O)c1cnc(N(C)CC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000189326792 464476665 /nfs/dbraw/zinc/47/66/65/464476665.db2.gz SWVDHYZVXLPXOT-CYBMUJFWSA-N 0 3 336.392 2.087 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000189447781 464506347 /nfs/dbraw/zinc/50/63/47/464506347.db2.gz MSJKQEFKMWKMFM-AWEZNQCLSA-N 0 3 336.436 2.289 20 5 EEBDHN Cc1c(CC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000295301237 464781550 /nfs/dbraw/zinc/78/15/50/464781550.db2.gz JJTHHXWTBDDHKR-CYBMUJFWSA-N 0 3 331.416 2.388 20 5 EEBDHN CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)C1 ZINC000295406735 464819642 /nfs/dbraw/zinc/81/96/42/464819642.db2.gz TXXLRJAHRAUKEK-GFCCVEGCSA-N 0 3 343.387 2.151 20 5 EEBDHN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295433683 464832141 /nfs/dbraw/zinc/83/21/41/464832141.db2.gz VAYNNCYPFTYXSO-AWEZNQCLSA-N 0 3 346.431 2.340 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)C3CCCCC3)C2)nc1 ZINC000249081510 464837094 /nfs/dbraw/zinc/83/70/94/464837094.db2.gz MQPIDYZANFTPCS-GDBMZVCRSA-N 0 3 334.420 2.417 20 5 EEBDHN Cc1cc(NC[C@@H](C)c2nncn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000342961568 465417446 /nfs/dbraw/zinc/41/74/46/465417446.db2.gz QVZCJDOFCPFVHR-SNVBAGLBSA-N 0 3 326.360 2.217 20 5 EEBDHN CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CCN1C ZINC000337855205 465631666 /nfs/dbraw/zinc/63/16/66/465631666.db2.gz KWKKQZMTNVIJQT-OAHLLOKOSA-N 0 3 344.419 2.167 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519824 465648622 /nfs/dbraw/zinc/64/86/22/465648622.db2.gz GCTFGLMHVGUDJW-ZYHUDNBSSA-N 0 3 329.303 2.283 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000338056213 465786203 /nfs/dbraw/zinc/78/62/03/465786203.db2.gz GKDSBOLMLDBLDY-DZGCQCFKSA-N 0 3 346.431 2.404 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361424060 465983038 /nfs/dbraw/zinc/98/30/38/465983038.db2.gz FPTAEDYZGHJOEA-KRWDZBQOSA-N 0 3 336.388 2.244 20 5 EEBDHN CCCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362820577 466050407 /nfs/dbraw/zinc/05/04/07/466050407.db2.gz PEKNFCZZWLBYQT-UHFFFAOYSA-N 0 3 331.376 2.931 20 5 EEBDHN O=[N+]([O-])c1cc2c(ncnc2NC2CCN([C@@H]3CCOC3)CC2)s1 ZINC000367271250 466231135 /nfs/dbraw/zinc/23/11/35/466231135.db2.gz OIHYTDHOXVGPRP-LLVKDONJSA-N 0 3 349.416 2.265 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000358036201 466402578 /nfs/dbraw/zinc/40/25/78/466402578.db2.gz KOGSMNUTWDHLFH-JSGCOSHPSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@@H]1COCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000370185812 466791145 /nfs/dbraw/zinc/79/11/45/466791145.db2.gz RNZDIPLIVRTPNY-ZDUSSCGKSA-N 0 3 330.388 2.464 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CCC(O)CC1)CCCC2 ZINC000417326969 466835222 /nfs/dbraw/zinc/83/52/22/466835222.db2.gz DIFPEFSMDOMFTJ-GOSISDBHSA-N 0 3 333.432 2.409 20 5 EEBDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411785784 466901537 /nfs/dbraw/zinc/90/15/37/466901537.db2.gz BWSOEDVZYNPJPJ-OAHLLOKOSA-N 0 3 334.420 2.340 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000373805475 466925329 /nfs/dbraw/zinc/92/53/29/466925329.db2.gz DKIOZWUOHQOPRP-WNMQOVRZSA-N 0 3 349.387 2.088 20 5 EEBDHN COc1cc(CN(CCO)[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433197706 467304995 /nfs/dbraw/zinc/30/49/95/467304995.db2.gz UDNMJRHCHFJABV-CYBMUJFWSA-N 0 3 326.418 2.293 20 5 EEBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCCCN3C3CC3)c21 ZINC000433815216 467355412 /nfs/dbraw/zinc/35/54/12/467355412.db2.gz ZWWDHFGGFPEFJZ-CYBMUJFWSA-N 0 3 327.388 2.967 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448601597 467595336 /nfs/dbraw/zinc/59/53/36/467595336.db2.gz VQNLEZGRPHPRLY-AWEZNQCLSA-N 0 3 343.387 2.199 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000449994395 467758399 /nfs/dbraw/zinc/75/83/99/467758399.db2.gz HGHARYDFJIEVKJ-DGCLKSJQSA-N 0 3 343.387 2.197 20 5 EEBDHN CN(C)CCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000487742018 468052220 /nfs/dbraw/zinc/05/22/20/468052220.db2.gz SVJBEGWFAFINEV-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN COc1cc(CN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000488517900 468089871 /nfs/dbraw/zinc/08/98/71/468089871.db2.gz DEDGBLOMDTWSOD-HNNXBMFYSA-N 0 3 337.420 2.384 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000590378215 468242462 /nfs/dbraw/zinc/24/24/62/468242462.db2.gz BNBXDCMNNAZAQW-MRXNPFEDSA-N 0 3 338.379 2.391 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597533576 468589547 /nfs/dbraw/zinc/58/95/47/468589547.db2.gz PSJLEJNWUIOREW-HUUCEWRRSA-N 0 3 333.388 2.157 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597603502 468613244 /nfs/dbraw/zinc/61/32/44/468613244.db2.gz CTBHSERPADTUMX-AWEZNQCLSA-N 0 3 335.404 2.306 20 5 EEBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000559636277 468749251 /nfs/dbraw/zinc/74/92/51/468749251.db2.gz JEAKYQGNNBUNOP-CQSZACIVSA-N 0 3 334.420 2.258 20 5 EEBDHN COC(=O)c1ccnc(N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598587837 468923567 /nfs/dbraw/zinc/92/35/67/468923567.db2.gz DPBPQYXFSCKKLQ-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598600356 468928540 /nfs/dbraw/zinc/92/85/40/468928540.db2.gz DAYATUQBBPFQCI-LBPRGKRZSA-N 0 3 343.449 2.220 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000585718541 469020960 /nfs/dbraw/zinc/02/09/60/469020960.db2.gz KQHKKKRWPGSQRA-MRXNPFEDSA-N 0 3 349.431 2.160 20 5 EEBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC000596055214 469130933 /nfs/dbraw/zinc/13/09/33/469130933.db2.gz PRYYVWPLHYBAGJ-ZDUSSCGKSA-N 0 3 334.401 2.470 20 5 EEBDHN C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596460927 469274612 /nfs/dbraw/zinc/27/46/12/469274612.db2.gz ARLYUMFXPNDRPK-OAHLLOKOSA-N 0 3 342.399 2.449 20 5 EEBDHN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596460927 469274615 /nfs/dbraw/zinc/27/46/15/469274615.db2.gz ARLYUMFXPNDRPK-OAHLLOKOSA-N 0 3 342.399 2.449 20 5 EEBDHN COCCOc1ncccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602514596 469345271 /nfs/dbraw/zinc/34/52/71/469345271.db2.gz OAHJESBDLOGDKX-UHFFFAOYSA-N 0 3 331.372 2.347 20 5 EEBDHN COCCN(C)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527726 469350449 /nfs/dbraw/zinc/35/04/49/469350449.db2.gz KKEWDJABTWKFNU-UHFFFAOYSA-N 0 3 335.326 2.281 20 5 EEBDHN CC(=O)c1ccc(NCCCN2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000604526471 469486776 /nfs/dbraw/zinc/48/67/76/469486776.db2.gz BEDRNUHYGBYDDL-UHFFFAOYSA-N 0 3 334.420 2.237 20 5 EEBDHN CCN1CCC(N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045781 469889823 /nfs/dbraw/zinc/88/98/23/469889823.db2.gz LDKOTLFBCUPZPH-UHFFFAOYSA-N 0 3 335.404 2.089 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000488902205 535952658 /nfs/dbraw/zinc/95/26/58/535952658.db2.gz ONABZRZWVCRHLG-AWEZNQCLSA-N 0 3 346.362 2.349 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000733165784 577206085 /nfs/dbraw/zinc/20/60/85/577206085.db2.gz MCPMMTRRPILKOH-MRXNPFEDSA-N 0 3 345.403 2.097 20 5 EEBDHN CCN(CC)C(=O)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765333183 577499421 /nfs/dbraw/zinc/49/94/21/577499421.db2.gz KCCYGUXMCVUBQJ-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN CN(C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000768792991 577562690 /nfs/dbraw/zinc/56/26/90/577562690.db2.gz LRRDATHHNJCBDZ-UHFFFAOYSA-N 0 3 347.462 2.199 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000758480178 577625591 /nfs/dbraw/zinc/62/55/91/577625591.db2.gz GQYCJFLAACKOAW-KRWDZBQOSA-N 0 3 342.399 2.413 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736399114 578200878 /nfs/dbraw/zinc/20/08/78/578200878.db2.gz DNBLDDRMCATAHY-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736399114 578200879 /nfs/dbraw/zinc/20/08/79/578200879.db2.gz DNBLDDRMCATAHY-CYBMUJFWSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1cnccc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022048944 676616544 /nfs/dbraw/zinc/61/65/44/676616544.db2.gz LGKMTAUAKDZKHI-GASCZTMLSA-N 0 3 340.383 2.349 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934575862 678542725 /nfs/dbraw/zinc/54/27/25/678542725.db2.gz OQYPFQNRQGOHAA-BEMMVCDISA-N 0 3 329.400 2.297 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934575860 678542796 /nfs/dbraw/zinc/54/27/96/678542796.db2.gz OQYPFQNRQGOHAA-AHBIMHKDSA-N 0 3 329.400 2.297 20 5 EEBDHN Cn1c2ccccc2c(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892420237 679770874 /nfs/dbraw/zinc/77/08/74/679770874.db2.gz NRPMRYJPACXKRC-CYBMUJFWSA-N 0 3 342.399 2.343 20 5 EEBDHN C[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020262 683570952 /nfs/dbraw/zinc/57/09/52/683570952.db2.gz OYYNJHVQGJJAEC-STQMWFEESA-N 0 3 332.404 2.234 20 5 EEBDHN Cc1nccn1CCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000162830759 694378403 /nfs/dbraw/zinc/37/84/03/694378403.db2.gz OFCUZAXMDXAGOY-UHFFFAOYSA-N 0 3 328.376 2.429 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCS(=O)(=O)C1 ZINC000872019124 1198027375 /nfs/dbraw/zinc/02/73/75/1198027375.db2.gz SXNUPNQSTMYBCN-WDEREUQCSA-N 0 3 344.458 2.402 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOC[C@H]1CC ZINC000873187878 1198524486 /nfs/dbraw/zinc/52/44/86/1198524486.db2.gz BXFYBCUIAHJQCY-OAHLLOKOSA-N 0 3 337.420 2.194 20 5 EEBDHN CCc1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nc1 ZINC001134079956 1199297865 /nfs/dbraw/zinc/29/78/65/1199297865.db2.gz JDWOWIAXSVVKLO-UHFFFAOYSA-N 0 3 342.399 2.001 20 5 EEBDHN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109730 1201121919 /nfs/dbraw/zinc/12/19/19/1201121919.db2.gz VSTSAWLOYBFVPZ-LDYMZIIASA-N 0 3 348.808 2.364 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])cc1SC ZINC000813114527 1201124880 /nfs/dbraw/zinc/12/48/80/1201124880.db2.gz SKMGARYWKAGFFE-SSDOTTSWSA-N 0 3 330.318 2.147 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cn2ccnc2)c2ccccc2)n1 ZINC000880569259 1201525352 /nfs/dbraw/zinc/52/53/52/1201525352.db2.gz KGAVBRCHFXBOFI-OAHLLOKOSA-N 0 3 326.360 2.019 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095435317 1205747787 /nfs/dbraw/zinc/74/77/87/1205747787.db2.gz DKEMCHNQFLLRAQ-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114773166 1215264207 /nfs/dbraw/zinc/26/42/07/1215264207.db2.gz AIZVWSAUTNDMAO-CTYIDZIISA-N 0 3 334.420 2.243 20 5 EEBDHN O=C(/C=C/C1CC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048734822 1238467835 /nfs/dbraw/zinc/46/78/35/1238467835.db2.gz XQWLKGYXKFSHDD-BORUEMGLSA-N 0 3 341.411 2.451 20 5 EEBDHN Cc1ccc(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)c([N+](=O)[O-])c1 ZINC001055927688 1238490244 /nfs/dbraw/zinc/49/02/44/1238490244.db2.gz ONDWZPRQOPELGX-UHFFFAOYSA-N 0 3 346.431 2.036 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097030356 1243638466 /nfs/dbraw/zinc/63/84/66/1243638466.db2.gz YHLDAYOJCHKJKT-JOCQHMNTSA-N 0 3 338.383 2.135 20 5 EEBDHN CC(C)N(C)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110593649 1290313086 /nfs/dbraw/zinc/31/30/86/1290313086.db2.gz JMJMWUAGYKGNNK-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861893015 1295582486 /nfs/dbraw/zinc/58/24/86/1295582486.db2.gz BAELBPZUTMIXTN-UHFFFAOYSA-N 0 3 336.348 2.059 20 5 EEBDHN C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665446 1301117224 /nfs/dbraw/zinc/11/72/24/1301117224.db2.gz ZPEAYWLHKBSRJK-NWDGAFQWSA-N 0 3 330.344 2.305 20 5 EEBDHN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665446 1301117227 /nfs/dbraw/zinc/11/72/27/1301117227.db2.gz ZPEAYWLHKBSRJK-NWDGAFQWSA-N 0 3 330.344 2.305 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCN3)no2)ccc1-n1ccnc1 ZINC000842642976 1315743283 /nfs/dbraw/zinc/74/32/83/1315743283.db2.gz WXXIVGKOKNLYDS-NSHDSACASA-N 0 3 326.316 2.255 20 5 EEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1C(C)C ZINC001153890393 1316909225 /nfs/dbraw/zinc/90/92/25/1316909225.db2.gz GTVVCLOHEFVEHZ-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN O=C(/C=C\c1ccco1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154222126 1316999349 /nfs/dbraw/zinc/99/93/49/1316999349.db2.gz PBBDJKWCAUYOQQ-HJWRWDBZSA-N 0 3 329.356 2.497 20 5 EEBDHN Cc1cncc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001156111959 1317882049 /nfs/dbraw/zinc/88/20/49/1317882049.db2.gz ZVJXUJJDDYINLC-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN COC(=O)c1ccnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585826 1318134130 /nfs/dbraw/zinc/13/41/30/1318134130.db2.gz XJYPIEPTAJIJAS-AWEZNQCLSA-N 0 3 327.340 2.033 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1Cc2ccccc2CN1 ZINC001163274274 1321083793 /nfs/dbraw/zinc/08/37/93/1321083793.db2.gz ISEBOOJTICKFLM-LBPRGKRZSA-N 0 3 334.763 2.008 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN(C3CCOCC3)CC2)c2ccccc21 ZINC001331113452 1334965582 /nfs/dbraw/zinc/96/55/82/1334965582.db2.gz TVGHKRXPCOTFLF-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001336745269 1336588852 /nfs/dbraw/zinc/58/88/52/1336588852.db2.gz OEIMYVAVMCBIHD-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1F ZINC001579642415 1344402317 /nfs/dbraw/zinc/40/23/17/1344402317.db2.gz FACQPBAEVNOCFK-IUCAKERBSA-N 0 3 343.330 2.024 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC001607078670 1351407820 /nfs/dbraw/zinc/40/78/20/1351407820.db2.gz BKQQJTOXZIUFBH-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC001607078670 1351407824 /nfs/dbraw/zinc/40/78/24/1351407824.db2.gz BKQQJTOXZIUFBH-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN CN(C)C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000832024962 1372407255 /nfs/dbraw/zinc/40/72/55/1372407255.db2.gz GXTALQADVLPCSL-CQSZACIVSA-N 0 3 325.384 2.380 20 5 EEBDHN CC(C)CN1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164657218 719336711 /nfs/dbraw/zinc/33/67/11/719336711.db2.gz CTURJZMXGBOOIQ-AATRIKPKSA-N 0 3 333.436 2.300 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000840252768 782458235 /nfs/dbraw/zinc/45/82/35/782458235.db2.gz YHRBTIUKHHCXKM-LSDHHAIUSA-N 0 3 328.372 2.418 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cc(C2CC2)n[nH]1 ZINC001167248650 757568978 /nfs/dbraw/zinc/56/89/78/757568978.db2.gz AVEMKOWMKDXEEJ-UHFFFAOYSA-N 0 3 349.416 2.167 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCC[S@@](=O)Cc2ccccc2)c1 ZINC000819042775 785371507 /nfs/dbraw/zinc/37/15/07/785371507.db2.gz NWAMZNIVRVVGGE-BXKMTCNYSA-N 0 3 348.424 2.167 20 5 EEBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082834 785394414 /nfs/dbraw/zinc/39/44/14/785394414.db2.gz SPDBSNIVJNLKIO-WBVHZDCISA-N 0 3 328.372 2.394 20 5 EEBDHN CN1Cc2ccccc2[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190225 785455932 /nfs/dbraw/zinc/45/59/32/785455932.db2.gz IHTUWSGEBAEHDQ-MSOLQXFVSA-N 0 3 327.384 2.405 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107205146 786396730 /nfs/dbraw/zinc/39/67/30/786396730.db2.gz VZFVJNVQEGLFMP-SREVYHEPSA-N 0 3 334.420 2.329 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107285996 786723297 /nfs/dbraw/zinc/72/32/97/786723297.db2.gz TVYXNWHSJVSEFC-IHWYPQMZSA-N 0 3 347.350 2.092 20 5 EEBDHN CCOC(=O)Cc1ccc(N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000825518093 788663582 /nfs/dbraw/zinc/66/35/82/788663582.db2.gz FUXSCZZYVCIIDV-UHFFFAOYSA-N 0 3 349.431 2.478 20 5 EEBDHN CC([C@H](OC(=O)CCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879609 789972717 /nfs/dbraw/zinc/97/27/17/789972717.db2.gz YFLZKRLARBKTMT-PXAZEXFGSA-N 0 3 348.330 2.327 20 5 EEBDHN CC([C@@H](OC(=O)CCc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882604 789973721 /nfs/dbraw/zinc/97/37/21/789973721.db2.gz OXIHNEDANJARRQ-BDJLRTHQSA-N 0 3 333.319 2.498 20 5 EEBDHN CC(C)(C)c1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001127172535 790255561 /nfs/dbraw/zinc/25/55/61/790255561.db2.gz XCLRAJBKAASSMV-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN CC(C)CN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172892146 791786656 /nfs/dbraw/zinc/78/66/56/791786656.db2.gz HNZAHXVWVZVXOB-UHFFFAOYSA-N 0 3 344.419 2.084 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CO)c2cccnc2)c1F ZINC001173180527 797278858 /nfs/dbraw/zinc/27/88/58/797278858.db2.gz RGQLKUPKVQOYMC-SMDDNHRTSA-N 0 3 349.362 2.392 20 5 EEBDHN CCOC(=O)C1=C(O)CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227127 797311125 /nfs/dbraw/zinc/31/11/25/797311125.db2.gz OFRBZEVGOBRFQD-XJKSGUPXSA-N 0 3 348.399 2.370 20 5 EEBDHN CCNC(=O)CO[C@H]1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235729 797313349 /nfs/dbraw/zinc/31/33/49/797313349.db2.gz YXEMZRXAWBQZQX-PBHICJAKSA-N 0 3 349.431 2.143 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cnccn2)C1 ZINC001173238541 797324480 /nfs/dbraw/zinc/32/44/80/797324480.db2.gz VEDZVOPOPPXQSA-BBRMVZONSA-N 0 3 328.372 2.469 20 5 EEBDHN Cc1ccc(N2CCCN(C(=O)CN(C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095181516 797492004 /nfs/dbraw/zinc/49/20/04/797492004.db2.gz CJZVBMZADMVLMU-UHFFFAOYSA-N 0 3 348.447 2.282 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110193463 798368555 /nfs/dbraw/zinc/36/85/55/798368555.db2.gz HEEOQZKOTHBLOX-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001086324580 802743374 /nfs/dbraw/zinc/74/33/74/802743374.db2.gz DLFIDICZXBIQED-SAZUREKKSA-N 0 3 345.399 2.274 20 5 EEBDHN CCCN(C)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109496365 805551614 /nfs/dbraw/zinc/55/16/14/805551614.db2.gz QVAKUBYNXZLTGH-UHFFFAOYSA-N 0 3 340.399 2.336 20 5 EEBDHN COc1ccc(C[C@@H](C)N[C@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312181 809885849 /nfs/dbraw/zinc/88/58/49/809885849.db2.gz DLCNROAUKDIFFJ-MLGOLLRUSA-N 0 3 331.372 2.253 20 5 EEBDHN COc1ccc(C[C@H](C)N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170352351 809901064 /nfs/dbraw/zinc/90/10/64/809901064.db2.gz MHAHVSOFWBBVRD-ZDUSSCGKSA-N 0 3 349.431 2.477 20 5 EEBDHN COc1ccc(C[C@H](C)n2c(=N)sc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170345385 809916060 /nfs/dbraw/zinc/91/60/60/809916060.db2.gz JPYSSAHKYMXCCH-JTQLQIEISA-N 0 3 348.428 2.395 20 5 EEBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170571560 812985858 /nfs/dbraw/zinc/98/58/58/812985858.db2.gz MYAHLPGNDSTFAQ-CABZTGNLSA-N 0 3 329.784 2.354 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1nccc2occc21 ZINC001131607207 813018884 /nfs/dbraw/zinc/01/88/84/813018884.db2.gz CQRHXMNRXPJHIO-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN Cc1cc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])cc1Br ZINC001170573851 813021087 /nfs/dbraw/zinc/02/10/87/813021087.db2.gz LDNRPJHEEICGKS-RNCFNFMXSA-N 0 3 344.209 2.455 20 5 EEBDHN CC[C@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993044 1120253217 /nfs/dbraw/zinc/25/32/17/1120253217.db2.gz GGRFRIKOZLVQBC-UONOGXRCSA-N 0 3 338.456 2.192 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174698382 231281373 /nfs/dbraw/zinc/28/13/73/231281373.db2.gz QXRIONQMVFUSDC-KRWDZBQOSA-N 0 3 346.362 2.081 20 5 EEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CSCCN1 ZINC000236796978 242358962 /nfs/dbraw/zinc/35/89/62/242358962.db2.gz WNIVHTIIXFNGPV-CQSZACIVSA-N 0 3 337.445 2.427 20 5 EEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CSCCN1 ZINC000236797101 242360513 /nfs/dbraw/zinc/36/05/13/242360513.db2.gz WNIVHTIIXFNGPV-AWEZNQCLSA-N 0 3 337.445 2.427 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247167463 243386053 /nfs/dbraw/zinc/38/60/53/243386053.db2.gz AQYRGLVOMDKKAE-MEDUHNTESA-N 0 3 330.388 2.488 20 5 EEBDHN CCOC[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712266 245218700 /nfs/dbraw/zinc/21/87/00/245218700.db2.gz WEVNPJBQIQCEJD-HZPDHXFCSA-N 0 3 338.404 2.226 20 5 EEBDHN CO[C@@H]1C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763411 245239970 /nfs/dbraw/zinc/23/99/70/245239970.db2.gz OALJNNWMMHUKHR-ARFHVFGLSA-N 0 3 345.399 2.247 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492124262 246312774 /nfs/dbraw/zinc/31/27/74/246312774.db2.gz HUQOWKBBFCWBAO-QGNWLKBCSA-N 0 3 333.363 2.346 20 5 EEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000495343381 247127984 /nfs/dbraw/zinc/12/79/84/247127984.db2.gz UZNZFDWFHOEHEO-UHFFFAOYSA-N 0 3 334.376 2.082 20 5 EEBDHN CC[C@H]1c2ccsc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457352 248310573 /nfs/dbraw/zinc/31/05/73/248310573.db2.gz PLGVXMAJHKWPQE-OCCSQVGLSA-N 0 3 336.417 2.223 20 5 EEBDHN CCN(Cc1ccc(Cl)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266496538 248330981 /nfs/dbraw/zinc/33/09/81/248330981.db2.gz WHMFBXHQPBHGJZ-LLVKDONJSA-N 0 3 344.824 2.389 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266563991 248361943 /nfs/dbraw/zinc/36/19/43/248361943.db2.gz PDECUORKVAOOGF-AWEZNQCLSA-N 0 3 334.420 2.168 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159195 256120970 /nfs/dbraw/zinc/12/09/70/256120970.db2.gz HTJOETVBCLAZPW-IAQYHMDHSA-N 0 3 335.429 2.286 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N(C)C ZINC000270736334 256166343 /nfs/dbraw/zinc/16/63/43/256166343.db2.gz KLAKHTMHMWFERE-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127363 256211244 /nfs/dbraw/zinc/21/12/44/256211244.db2.gz KTXHEAZEOMNGKN-IAQYHMDHSA-N 0 3 334.376 2.111 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106372 256354620 /nfs/dbraw/zinc/35/46/20/256354620.db2.gz VFXVNPBZHAEXAM-GRYCIOLGSA-N 0 3 337.376 2.099 20 5 EEBDHN CSCC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159147634 533646952 /nfs/dbraw/zinc/64/69/52/533646952.db2.gz RMMOGILAVZUNPV-AWEZNQCLSA-N 0 3 325.434 2.114 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068226832 159017864 /nfs/dbraw/zinc/01/78/64/159017864.db2.gz YGLSHOPTMQXIHY-ZIAGYGMSSA-N 0 3 334.420 2.243 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCCc2c(O)cccc21 ZINC000192366443 160169873 /nfs/dbraw/zinc/16/98/73/160169873.db2.gz OLYPCHAIEZTGCM-HNNXBMFYSA-N 0 3 329.356 2.129 20 5 EEBDHN CN(CCNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341819196 161015983 /nfs/dbraw/zinc/01/59/83/161015983.db2.gz GHJCKWYKYIURAT-UHFFFAOYSA-N 0 3 328.372 2.238 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000341966056 161027906 /nfs/dbraw/zinc/02/79/06/161027906.db2.gz XXKXRIIGZGNAEI-ZDUSSCGKSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1cc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000342588243 161076314 /nfs/dbraw/zinc/07/63/14/161076314.db2.gz CMVZBEUZNXKYGP-LLVKDONJSA-N 0 3 331.376 2.144 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000343054656 161098748 /nfs/dbraw/zinc/09/87/48/161098748.db2.gz MMTPUYGSBIZCKY-UHFFFAOYSA-N 0 3 330.344 2.183 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000343428325 161135341 /nfs/dbraw/zinc/13/53/41/161135341.db2.gz HIYVRTXVZDAEAM-NHYWBVRUSA-N 0 3 330.388 2.218 20 5 EEBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343483851 161140274 /nfs/dbraw/zinc/14/02/74/161140274.db2.gz FDHYRIHVJSVGQI-YGRLFVJLSA-N 0 3 325.796 2.390 20 5 EEBDHN C[C@H]1[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCN1C ZINC000343803972 161169807 /nfs/dbraw/zinc/16/98/07/161169807.db2.gz WEHNNHIPRBFLNO-LKFCYVNXSA-N 0 3 327.331 2.014 20 5 EEBDHN CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000355439745 163190027 /nfs/dbraw/zinc/19/00/27/163190027.db2.gz GHPYCDOHTXOEKX-UHFFFAOYSA-N 0 3 337.445 2.460 20 5 EEBDHN CSC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000355465857 163199265 /nfs/dbraw/zinc/19/92/65/163199265.db2.gz IMSQFJJDHYAAGI-UHFFFAOYSA-N 0 3 341.408 2.291 20 5 EEBDHN O=C(N1CCCN2CCC[C@@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000369857069 166344667 /nfs/dbraw/zinc/34/46/67/166344667.db2.gz QGKOTHAZHUTEOR-CQSZACIVSA-N 0 3 339.342 2.383 20 5 EEBDHN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCCC1 ZINC000373308788 166865416 /nfs/dbraw/zinc/86/54/16/166865416.db2.gz NDINEJWLSFEUPD-AWEZNQCLSA-N 0 3 349.435 2.219 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122279050 222051861 /nfs/dbraw/zinc/05/18/61/222051861.db2.gz FWVYAYHMZCEIDI-JSGCOSHPSA-N 0 3 332.404 2.062 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122279263 222052343 /nfs/dbraw/zinc/05/23/43/222052343.db2.gz FWVYAYHMZCEIDI-TZMCWYRMSA-N 0 3 332.404 2.062 20 5 EEBDHN COc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278315102 269223231 /nfs/dbraw/zinc/22/32/31/269223231.db2.gz USAMJZFAXIWTPQ-UHFFFAOYSA-N 0 3 333.388 2.094 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000280466705 269364714 /nfs/dbraw/zinc/36/47/14/269364714.db2.gz GCGBLUUAXGSNDF-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275101928 274222826 /nfs/dbraw/zinc/22/28/26/274222826.db2.gz KDCHDDFJYKLNAP-VXGBXAGGSA-N 0 3 341.458 2.308 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285487051 274740109 /nfs/dbraw/zinc/74/01/09/274740109.db2.gz IKQNKUYQIAYBNY-CKEIUWERSA-N 0 3 346.431 2.480 20 5 EEBDHN CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000285672082 274772559 /nfs/dbraw/zinc/77/25/59/274772559.db2.gz PZMANNOHIHHYDH-KGLIPLIRSA-N 0 3 331.388 2.350 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000286965297 274922401 /nfs/dbraw/zinc/92/24/01/274922401.db2.gz LMRRCHJMQUZAAI-QMMMGPOBSA-N 0 3 344.209 2.346 20 5 EEBDHN COCCCN(C(=O)c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291414980 275303031 /nfs/dbraw/zinc/30/30/31/275303031.db2.gz JORDPYCBYCRACV-UHFFFAOYSA-N 0 3 335.404 2.168 20 5 EEBDHN COCCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291463604 275307758 /nfs/dbraw/zinc/30/77/58/275307758.db2.gz PKJVIKSKERPIDB-UHFFFAOYSA-N 0 3 349.431 2.476 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3O)c1 ZINC000296726137 294050912 /nfs/dbraw/zinc/05/09/12/294050912.db2.gz NSYWZULWNGFFJJ-GUYCJALGSA-N 0 3 344.367 2.317 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN(C[C@@H]4CCOC4)CC3)c2c1 ZINC000413183603 312814561 /nfs/dbraw/zinc/81/45/61/312814561.db2.gz VSFMSZYAHMILPJ-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN Cc1ccc(NCCCNC(=O)N2C[C@@H](C)NC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417711873 313573872 /nfs/dbraw/zinc/57/38/72/313573872.db2.gz DYLHDBHPWXZNST-KGLIPLIRSA-N 0 3 349.435 2.097 20 5 EEBDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000420930784 314000490 /nfs/dbraw/zinc/00/04/90/314000490.db2.gz SKDGJBGZRPOEGJ-CHWSQXEVSA-N 0 3 338.408 2.234 20 5 EEBDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028351 314030896 /nfs/dbraw/zinc/03/08/96/314030896.db2.gz UGWVCLHJCRJQJQ-OLZOCXBDSA-N 0 3 338.408 2.091 20 5 EEBDHN C[C@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000425067873 314328120 /nfs/dbraw/zinc/32/81/20/314328120.db2.gz SAGXEFDNZWVXGC-MQIPJXDCSA-N 0 3 335.379 2.390 20 5 EEBDHN COc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444623414 315312387 /nfs/dbraw/zinc/31/23/87/315312387.db2.gz SQDCYBCIALOWLB-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN COC(=O)NCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496756765 316246336 /nfs/dbraw/zinc/24/63/36/316246336.db2.gz UDPBROKSPJIPTI-QMTHXVAHSA-N 0 3 342.323 2.211 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536628049 318005268 /nfs/dbraw/zinc/00/52/68/318005268.db2.gz WZEHZSPZDSIFLM-KBPBESRZSA-N 0 3 337.420 2.365 20 5 EEBDHN CNc1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000540890645 318081363 /nfs/dbraw/zinc/08/13/63/318081363.db2.gz KSGLVHWJDNMCMG-LBPRGKRZSA-N 0 3 334.420 2.439 20 5 EEBDHN CN(CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000541852530 318111891 /nfs/dbraw/zinc/11/18/91/318111891.db2.gz VKCPDTGQIMFVBD-UHFFFAOYSA-N 0 3 343.387 2.044 20 5 EEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000542524570 318131658 /nfs/dbraw/zinc/13/16/58/318131658.db2.gz DYBMJKLMTXVADQ-GFCCVEGCSA-N 0 3 329.784 2.447 20 5 EEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000546180251 318246028 /nfs/dbraw/zinc/24/60/28/318246028.db2.gz UBDZCVYDXJHDME-INIZCTEOSA-N 0 3 347.802 2.477 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000336794083 465047600 /nfs/dbraw/zinc/04/76/00/465047600.db2.gz ZPBFGSFBDPRJFN-HZPDHXFCSA-N 0 3 341.415 2.287 20 5 EEBDHN COCC1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000358774327 465314684 /nfs/dbraw/zinc/31/46/84/465314684.db2.gz WYWIDIVZCKKBEO-HNNXBMFYSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@H]1C ZINC000521386373 468308027 /nfs/dbraw/zinc/30/80/27/468308027.db2.gz RTJZVIXLSVPOSR-VXGBXAGGSA-N 0 3 349.387 2.316 20 5 EEBDHN Cc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644991 462702589 /nfs/dbraw/zinc/70/25/89/462702589.db2.gz LXBKSPCWQHSVBW-HOTGVXAUSA-N 0 3 342.399 2.346 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000075955141 462777291 /nfs/dbraw/zinc/77/72/91/462777291.db2.gz QGCVBAJDBJDLJB-UHFFFAOYSA-N 0 3 349.435 2.051 20 5 EEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)cc1 ZINC000090517903 462795462 /nfs/dbraw/zinc/79/54/62/462795462.db2.gz TXECEDDDSKBMPF-UHFFFAOYSA-N 0 3 331.372 2.287 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(Cn3ccnn3)CC2)cc1 ZINC000155725483 462933890 /nfs/dbraw/zinc/93/38/90/462933890.db2.gz WRGJUHDDJWBVKY-UHFFFAOYSA-N 0 3 345.403 2.367 20 5 EEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133487487 462938282 /nfs/dbraw/zinc/93/82/82/462938282.db2.gz OOCDMDQBIOXSKY-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067272802 462986633 /nfs/dbraw/zinc/98/66/33/462986633.db2.gz LFZAJOLYTQAOBQ-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000121018846 463066368 /nfs/dbraw/zinc/06/63/68/463066368.db2.gz VIBWNRUGUMWVAG-UHFFFAOYSA-N 0 3 328.372 2.357 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157031332 463092314 /nfs/dbraw/zinc/09/23/14/463092314.db2.gz YQSUSAQGHMBYIF-ABAIWWIYSA-N 0 3 343.387 2.027 20 5 EEBDHN CN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000053349473 463153534 /nfs/dbraw/zinc/15/35/34/463153534.db2.gz JJIUNSDHHHYFRO-UHFFFAOYSA-N 0 3 327.384 2.386 20 5 EEBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CCCCC2)c1 ZINC000027142604 463183665 /nfs/dbraw/zinc/18/36/65/463183665.db2.gz GXGRQXJHZVRBIV-UHFFFAOYSA-N 0 3 343.387 2.416 20 5 EEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055407049 463317953 /nfs/dbraw/zinc/31/79/53/463317953.db2.gz IAZWTWPOUYJBGN-NWDGAFQWSA-N 0 3 345.403 2.321 20 5 EEBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056342805 463393648 /nfs/dbraw/zinc/39/36/48/463393648.db2.gz KPNURHVHXBQBIC-UHFFFAOYSA-N 0 3 334.351 2.266 20 5 EEBDHN CCC[C@@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000125898557 463589531 /nfs/dbraw/zinc/58/95/31/463589531.db2.gz TUCKVGXVUWNEAZ-GFCCVEGCSA-N 0 3 329.422 2.041 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000276829020 463770741 /nfs/dbraw/zinc/77/07/41/463770741.db2.gz OHGSLHVCVFKFMI-GFCCVEGCSA-N 0 3 333.388 2.292 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000287184689 463825855 /nfs/dbraw/zinc/82/58/55/463825855.db2.gz TYUJLDUJDCNBEP-UKRRQHHQSA-N 0 3 346.431 2.404 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261711256 463835186 /nfs/dbraw/zinc/83/51/86/463835186.db2.gz KLFQQCSNVKQFQZ-DLBZAZTESA-N 0 3 325.368 2.470 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)cc1SC ZINC000171486989 463873561 /nfs/dbraw/zinc/87/35/61/463873561.db2.gz YRJVHHDYDQRZGK-UHFFFAOYSA-N 0 3 339.417 2.151 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)c1 ZINC000283434725 463882813 /nfs/dbraw/zinc/88/28/13/463882813.db2.gz JNHULDYOZXRWPD-UHFFFAOYSA-N 0 3 335.404 2.455 20 5 EEBDHN COCC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000172070341 463981932 /nfs/dbraw/zinc/98/19/32/463981932.db2.gz UOTOGRSPKXHPLZ-AWEZNQCLSA-N 0 3 334.319 2.073 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000283735137 463988921 /nfs/dbraw/zinc/98/89/21/463988921.db2.gz IJLZUPHGWNPFNS-LBPRGKRZSA-N 0 3 325.796 2.407 20 5 EEBDHN COc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964100 464141536 /nfs/dbraw/zinc/14/15/36/464141536.db2.gz VYDWDBFNNDWSLQ-DOTOQJQBSA-N 0 3 346.383 2.178 20 5 EEBDHN COC(=O)[C@]12CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000284315177 464147332 /nfs/dbraw/zinc/14/73/32/464147332.db2.gz ASJMSQSJLSODNZ-QGPMSJSTSA-N 0 3 348.399 2.293 20 5 EEBDHN COc1ccc(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263715121 464164957 /nfs/dbraw/zinc/16/49/57/464164957.db2.gz VQMMADXNKJCFMO-FRRDWIJNSA-N 0 3 335.404 2.481 20 5 EEBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000284474736 464206338 /nfs/dbraw/zinc/20/63/38/464206338.db2.gz UMNQIYKVWXWQSK-ZDUSSCGKSA-N 0 3 333.344 2.229 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270990170 464272991 /nfs/dbraw/zinc/27/29/91/464272991.db2.gz DWLLMGSDCJUTSR-VXGBXAGGSA-N 0 3 343.836 2.366 20 5 EEBDHN COc1ccc(OCCN2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000173548743 464281621 /nfs/dbraw/zinc/28/16/21/464281621.db2.gz HZMYVQDVYACBHU-UHFFFAOYSA-N 0 3 335.404 2.010 20 5 EEBDHN CC[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000271358237 464293522 /nfs/dbraw/zinc/29/35/22/464293522.db2.gz QOKDFPSHQGHLPM-BLLLJJGKSA-N 0 3 330.388 2.198 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292752191 464330530 /nfs/dbraw/zinc/33/05/30/464330530.db2.gz JVZFNFBNJGSWJQ-MRXNPFEDSA-N 0 3 334.376 2.163 20 5 EEBDHN Cc1sc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000237698378 464365118 /nfs/dbraw/zinc/36/51/18/464365118.db2.gz OJTXRIXYARYAAT-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265370256 464533677 /nfs/dbraw/zinc/53/36/77/464533677.db2.gz NZWUZRWXEYACOO-GFCCVEGCSA-N 0 3 341.795 2.228 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCN(C)C2CC2)c1 ZINC000281721919 464559923 /nfs/dbraw/zinc/55/99/23/464559923.db2.gz XAQHJUVZKQYIOT-UHFFFAOYSA-N 0 3 335.404 2.225 20 5 EEBDHN CN1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272454295 464616865 /nfs/dbraw/zinc/61/68/65/464616865.db2.gz QVWWUNCKDLQYFJ-UHFFFAOYSA-N 0 3 340.811 2.184 20 5 EEBDHN COc1ccc([C@H](CCO)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395717 464644734 /nfs/dbraw/zinc/64/47/34/464644734.db2.gz HYQUVUOBRLDLEV-ZWKOTPCHSA-N 0 3 346.383 2.350 20 5 EEBDHN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1CC(C)(C)O ZINC000295021374 464680803 /nfs/dbraw/zinc/68/08/03/464680803.db2.gz MEGDXGFMMHZRDN-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN CN(CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000265824618 464700529 /nfs/dbraw/zinc/70/05/29/464700529.db2.gz NJRKUALSKUEOHU-UHFFFAOYSA-N 0 3 334.420 2.311 20 5 EEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152596 464724546 /nfs/dbraw/zinc/72/45/46/464724546.db2.gz AJVXTCQRKXYXNO-YMRXKLBXSA-N 0 3 347.415 2.133 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@H]2CCCc3ccccc32)n1 ZINC000176242662 464730034 /nfs/dbraw/zinc/73/00/34/464730034.db2.gz VSRSNTVBWKHYQF-INIZCTEOSA-N 0 3 330.388 2.163 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170202 464731154 /nfs/dbraw/zinc/73/11/54/464731154.db2.gz RPPITLUZRLEWNY-VHSXEESVSA-N 0 3 337.351 2.098 20 5 EEBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176286375 464739973 /nfs/dbraw/zinc/73/99/73/464739973.db2.gz CDDKPMMOKNBXIW-MRXNPFEDSA-N 0 3 343.431 2.388 20 5 EEBDHN CN(C)CCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176375281 464759739 /nfs/dbraw/zinc/75/97/39/464759739.db2.gz OVDPTCHFMGZJSA-UHFFFAOYSA-N 0 3 334.401 2.352 20 5 EEBDHN CN1CCN(CCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000282393817 464801438 /nfs/dbraw/zinc/80/14/38/464801438.db2.gz PEBIGLPWEPOGAT-UHFFFAOYSA-N 0 3 340.855 2.364 20 5 EEBDHN COCCN(CCCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000266896705 464863425 /nfs/dbraw/zinc/86/34/25/464863425.db2.gz GVKMZJBNTYRUAL-UHFFFAOYSA-N 0 3 332.404 2.373 20 5 EEBDHN COCCOCCOCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000276253104 464863675 /nfs/dbraw/zinc/86/36/75/464863675.db2.gz NRYFJNOFGLWETC-AWEZNQCLSA-N 0 3 326.393 2.267 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000249764474 464913873 /nfs/dbraw/zinc/91/38/73/464913873.db2.gz ZQFXNNLMCIWZFI-JHJVBQTASA-N 0 3 334.420 2.394 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339623976 465398416 /nfs/dbraw/zinc/39/84/16/465398416.db2.gz UTFSSOTXOAZKCT-KBPBESRZSA-N 0 3 334.420 2.256 20 5 EEBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298840196 465520091 /nfs/dbraw/zinc/52/00/91/465520091.db2.gz FSZXZJQQHJERTK-OAHLLOKOSA-N 0 3 328.372 2.490 20 5 EEBDHN CN(C(=O)CN[C@@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519080 465647755 /nfs/dbraw/zinc/64/77/55/465647755.db2.gz AEURLKGZPYGWKD-OLZOCXBDSA-N 0 3 343.330 2.308 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000299223654 465653441 /nfs/dbraw/zinc/65/34/41/465653441.db2.gz ONUXGASVHANPGU-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000299239244 465660475 /nfs/dbraw/zinc/66/04/75/465660475.db2.gz UXECDQNBQSAJKA-UHFFFAOYSA-N 0 3 347.415 2.415 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000356973133 465669438 /nfs/dbraw/zinc/66/94/38/465669438.db2.gz IGCUHCDYTVYRGP-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344628757 465733032 /nfs/dbraw/zinc/73/30/32/465733032.db2.gz ATHOGDNVOOEKDY-OAHLLOKOSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CN(C)C[C@@H]3C)n2)c1 ZINC000361252296 465863395 /nfs/dbraw/zinc/86/33/95/465863395.db2.gz OPMUUHKGVBGSSY-GXFFZTMASA-N 0 3 332.360 2.242 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000580120139 468469024 /nfs/dbraw/zinc/46/90/24/468469024.db2.gz QZQPABQCARCMCC-CYBMUJFWSA-N 0 3 330.388 2.184 20 5 EEBDHN Cc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049626 466194511 /nfs/dbraw/zinc/19/45/11/466194511.db2.gz OCWZDUDPFRXXPW-DLBZAZTESA-N 0 3 330.388 2.298 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000303058366 466220953 /nfs/dbraw/zinc/22/09/53/466220953.db2.gz XJLVKSVTMDNPOM-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331727298 466221177 /nfs/dbraw/zinc/22/11/77/466221177.db2.gz NXXOQFJWFFPRNU-RHSMWYFYSA-N 0 3 345.403 2.083 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000340671059 466254564 /nfs/dbraw/zinc/25/45/64/466254564.db2.gz BSFGQXGUZLGWQQ-MRXNPFEDSA-N 0 3 330.388 2.391 20 5 EEBDHN C[C@@H](O)[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241685 466266166 /nfs/dbraw/zinc/26/61/66/466266166.db2.gz SKTBMLIWQSDQQS-TZMCWYRMSA-N 0 3 349.387 2.128 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN([C@H](C)CO)CC1 ZINC000347289343 466539008 /nfs/dbraw/zinc/53/90/08/466539008.db2.gz QXXQUVJVTCYOMC-RBFDBLARSA-N 0 3 333.432 2.387 20 5 EEBDHN C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000347417017 466622416 /nfs/dbraw/zinc/62/24/16/466622416.db2.gz CVYHBBHUPHVKGD-HZSPNIEDSA-N 0 3 347.415 2.446 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000373805477 466925350 /nfs/dbraw/zinc/92/53/50/466925350.db2.gz DKIOZWUOHQOPRP-YNZJMPHRSA-N 0 3 349.387 2.088 20 5 EEBDHN O=C1CCCN1[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000412057231 466986586 /nfs/dbraw/zinc/98/65/86/466986586.db2.gz QNMNGCHYNJMPPR-OAHLLOKOSA-N 0 3 347.415 2.451 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413158977 467180575 /nfs/dbraw/zinc/18/05/75/467180575.db2.gz WOVKQRMKODHCSA-QGZVFWFLSA-N 0 3 346.362 2.178 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000433064101 467287777 /nfs/dbraw/zinc/28/77/77/467287777.db2.gz VUPYVDZRGCSUPW-DOTOQJQBSA-N 0 3 330.388 2.032 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397480 467290352 /nfs/dbraw/zinc/29/03/52/467290352.db2.gz OZFOBBJYVPALAY-KBPBESRZSA-N 0 3 347.415 2.332 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415307730 467540374 /nfs/dbraw/zinc/54/03/74/467540374.db2.gz ZBYIQPDHDQXCGM-NSHDSACASA-N 0 3 328.319 2.330 20 5 EEBDHN CC(COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N+](=O)[O-] ZINC000497271843 467915654 /nfs/dbraw/zinc/91/56/54/467915654.db2.gz LHRSJSMFCILLLN-SRVKXCTJSA-N 0 3 330.381 2.230 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637912 467944375 /nfs/dbraw/zinc/94/43/75/467944375.db2.gz WCUVSNHMIQXWQO-RBDSIQFVSA-N 0 3 333.388 2.325 20 5 EEBDHN CN1CCN(c2ccncc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000516207874 468019205 /nfs/dbraw/zinc/01/92/05/468019205.db2.gz WJPKGQCXVXIXFN-UHFFFAOYSA-N 0 3 347.400 2.055 20 5 EEBDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000516207874 468019208 /nfs/dbraw/zinc/01/92/08/468019208.db2.gz WJPKGQCXVXIXFN-UHFFFAOYSA-N 0 3 347.400 2.055 20 5 EEBDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488035138 468067600 /nfs/dbraw/zinc/06/76/00/468067600.db2.gz WBXZGEIWXKDATL-BBRMVZONSA-N 0 3 334.420 2.194 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000518278150 468110655 /nfs/dbraw/zinc/11/06/55/468110655.db2.gz FBEGTKYGHJHODK-UHFFFAOYSA-N 0 3 332.360 2.126 20 5 EEBDHN Cc1cc(OCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594195349 468508829 /nfs/dbraw/zinc/50/88/29/468508829.db2.gz FZRZICZNPDJQCF-RDJZCZTQSA-N 0 3 347.415 2.415 20 5 EEBDHN COc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197803 468509721 /nfs/dbraw/zinc/50/97/21/468509721.db2.gz PWEYRUIJNZYPHL-LSDHHAIUSA-N 0 3 347.415 2.279 20 5 EEBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC(C)C)c1 ZINC000591753723 468514347 /nfs/dbraw/zinc/51/43/47/468514347.db2.gz TULXWANQPBEPDA-MRXNPFEDSA-N 0 3 348.403 2.038 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594417634 468578289 /nfs/dbraw/zinc/57/82/89/468578289.db2.gz CXJQGJURVVHLLY-DGCLKSJQSA-N 0 3 335.408 2.017 20 5 EEBDHN CN1CCN(CCCSCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600567725 468594395 /nfs/dbraw/zinc/59/43/95/468594395.db2.gz CEQRZDMTZKZZMM-UHFFFAOYSA-N 0 3 339.461 2.344 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC2(CCCCC2)C1 ZINC000594628872 468639525 /nfs/dbraw/zinc/63/95/25/468639525.db2.gz MRWFVSSKTMASIP-UHFFFAOYSA-N 0 3 333.388 2.352 20 5 EEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597921813 468711582 /nfs/dbraw/zinc/71/15/82/468711582.db2.gz BUHYUMOUFSKIJB-SNVBAGLBSA-N 0 3 331.376 2.074 20 5 EEBDHN COC(=O)COc1ccc(CNCCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594973673 468734972 /nfs/dbraw/zinc/73/49/72/468734972.db2.gz TVXBKJQRSSXKEP-UHFFFAOYSA-N 0 3 328.340 2.374 20 5 EEBDHN COCCN1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601109802 468744934 /nfs/dbraw/zinc/74/49/34/468744934.db2.gz YYLYRVIIKYHLJD-UHFFFAOYSA-N 0 3 330.388 2.088 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598219992 468797347 /nfs/dbraw/zinc/79/73/47/468797347.db2.gz NCGFOOJJVXEDCZ-LBPRGKRZSA-N 0 3 349.435 2.407 20 5 EEBDHN CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592830081 468799161 /nfs/dbraw/zinc/79/91/61/468799161.db2.gz BGOQIBPPEUIAGW-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595490304 468874016 /nfs/dbraw/zinc/87/40/16/468874016.db2.gz PGTBQVALGKGPGC-NUEKZKHPSA-N 0 3 335.379 2.471 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598590864 468924945 /nfs/dbraw/zinc/92/49/45/468924945.db2.gz RJVGHRCURZIPEB-NWDGAFQWSA-N 0 3 336.392 2.309 20 5 EEBDHN NC(=O)CC1(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602697179 469018459 /nfs/dbraw/zinc/01/84/59/469018459.db2.gz IVPWVQXUHICBAZ-UHFFFAOYSA-N 0 3 348.222 2.164 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CC[C@@H](O)C3)o2)c1 ZINC000599010136 469087682 /nfs/dbraw/zinc/08/76/82/469087682.db2.gz QBYLUQFILXPLBM-OAHLLOKOSA-N 0 3 331.372 2.011 20 5 EEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CNCc2ccccc21 ZINC000563056410 469154603 /nfs/dbraw/zinc/15/46/03/469154603.db2.gz IFOHYKGUQJIEQY-KRWDZBQOSA-N 0 3 340.383 2.010 20 5 EEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603082373 469254121 /nfs/dbraw/zinc/25/41/21/469254121.db2.gz FEDVBHRTXLPDMD-UHFFFAOYSA-N 0 3 332.385 2.404 20 5 EEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCCOc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000599630368 469316297 /nfs/dbraw/zinc/31/62/97/469316297.db2.gz QYLJIRVIVDVSHE-WBVHZDCISA-N 0 3 345.355 2.194 20 5 EEBDHN C[C@H](O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870108 534110134 /nfs/dbraw/zinc/11/01/34/534110134.db2.gz WSLSPZKPBDRCIC-JSGCOSHPSA-N 0 3 330.388 2.198 20 5 EEBDHN CN1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266284137 536389282 /nfs/dbraw/zinc/38/92/82/536389282.db2.gz BDHJVXBGTJYCHC-INIZCTEOSA-N 0 3 333.388 2.059 20 5 EEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265211078 536445633 /nfs/dbraw/zinc/44/56/33/536445633.db2.gz AZXLTRXAFGFVEZ-LBPRGKRZSA-N 0 3 330.388 2.490 20 5 EEBDHN COc1cccc2c1OC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001065 577655679 /nfs/dbraw/zinc/65/56/79/577655679.db2.gz YFHBIYGZZCZLGN-ZBFHGGJFSA-N 0 3 344.367 2.230 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756950459 577853716 /nfs/dbraw/zinc/85/37/16/577853716.db2.gz DSCDUBCDMAEDKD-NSHDSACASA-N 0 3 340.811 2.389 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736398519 578200889 /nfs/dbraw/zinc/20/08/89/578200889.db2.gz BAAMTZUCHZWQEN-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736398519 578200890 /nfs/dbraw/zinc/20/08/90/578200890.db2.gz BAAMTZUCHZWQEN-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736398519 578200891 /nfs/dbraw/zinc/20/08/91/578200891.db2.gz BAAMTZUCHZWQEN-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736398519 578200892 /nfs/dbraw/zinc/20/08/92/578200892.db2.gz BAAMTZUCHZWQEN-GFCCVEGCSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108300841 681654614 /nfs/dbraw/zinc/65/46/14/681654614.db2.gz SAMDDEFPQPMNRL-GFCCVEGCSA-N 0 3 348.359 2.026 20 5 EEBDHN Cc1ccc(CC(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020086625 683549327 /nfs/dbraw/zinc/54/93/27/683549327.db2.gz PCFONVPCFBCLJN-SHTZXODSSA-N 0 3 343.383 2.476 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896154557 684858906 /nfs/dbraw/zinc/85/89/06/684858906.db2.gz DMBUZGWRQLUIGL-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CC[C@H](O)C1 ZINC000872090085 1198044081 /nfs/dbraw/zinc/04/40/81/1198044081.db2.gz LIWFIMMDBODCDQ-YPMHNXCESA-N 0 3 325.434 2.034 20 5 EEBDHN COc1cc(CNC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000877811388 1200124307 /nfs/dbraw/zinc/12/43/07/1200124307.db2.gz IRQOYZMIGKQYAJ-HOMQSWHASA-N 0 3 346.330 2.108 20 5 EEBDHN CC(COC(=O)Cc1csc(COc2ccccc2)n1)[N+](=O)[O-] ZINC000870377525 1200642668 /nfs/dbraw/zinc/64/26/68/1200642668.db2.gz QQVGZWQVMXRFEI-LLVKDONJSA-N 0 3 336.369 2.473 20 5 EEBDHN CC(COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[N+](=O)[O-] ZINC000813106022 1201099096 /nfs/dbraw/zinc/09/90/96/1201099096.db2.gz XPPHONORVXTHNM-SFYZADRCSA-N 0 3 349.170 2.320 20 5 EEBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000813109905 1201121930 /nfs/dbraw/zinc/12/19/30/1201121930.db2.gz QFJOUWNUBZKVPC-TVQRCGJNSA-N 0 3 328.752 2.116 20 5 EEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000813114914 1201124876 /nfs/dbraw/zinc/12/48/76/1201124876.db2.gz XPJIYKCWUUEYRF-NSHDSACASA-N 0 3 348.359 2.185 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095415659 1205712281 /nfs/dbraw/zinc/71/22/81/1205712281.db2.gz MWRNSMHWPJTHHP-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN Cc1cc(N(C)CCCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001095574885 1205878901 /nfs/dbraw/zinc/87/89/01/1205878901.db2.gz OPWQXACGQZPTRE-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495341 1207616619 /nfs/dbraw/zinc/61/66/19/1207616619.db2.gz ZZLDLACEENTGEN-ZDMBXUJBSA-N 0 3 327.768 2.200 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000935114760 1208097322 /nfs/dbraw/zinc/09/73/22/1208097322.db2.gz SUTIAFLPJRCQRV-XUWVNRHRSA-N 0 3 349.456 2.202 20 5 EEBDHN C/C=C(/C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048754755 1238527899 /nfs/dbraw/zinc/52/78/99/1238527899.db2.gz UCFFUHFBPUYVPX-BWEGZWNPSA-N 0 3 329.400 2.451 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1F ZINC000854987176 1293022058 /nfs/dbraw/zinc/02/20/58/1293022058.db2.gz MPKGLCOTLSINBE-CMPLNLGQSA-N 0 3 339.342 2.348 20 5 EEBDHN CC(C)N1CCC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367086 1302748539 /nfs/dbraw/zinc/74/85/39/1302748539.db2.gz HPBLEJRRECCEGL-NSHDSACASA-N 0 3 332.360 2.495 20 5 EEBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677555 1304326710 /nfs/dbraw/zinc/32/67/10/1304326710.db2.gz OVZCUTWZNSWJEW-HIFRSBDPSA-N 0 3 344.795 2.158 20 5 EEBDHN CN(CCCNC(=O)c1ccnc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235262084 1305170503 /nfs/dbraw/zinc/17/05/03/1305170503.db2.gz YIRHUXUGYBACKP-UHFFFAOYSA-N 0 3 346.362 2.381 20 5 EEBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839200857 1315203971 /nfs/dbraw/zinc/20/39/71/1315203971.db2.gz YMTLHICNZAZDOJ-YPMHNXCESA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843455538 1315918521 /nfs/dbraw/zinc/91/85/21/1315918521.db2.gz QQAUZRWNPFTQKM-DTWKUNHWSA-N 0 3 329.759 2.139 20 5 EEBDHN CCOCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163251143 1321077222 /nfs/dbraw/zinc/07/72/22/1321077222.db2.gz ORNLAOZFWPKUBB-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CN(C)CCN1C ZINC001262705882 1322354508 /nfs/dbraw/zinc/35/45/08/1322354508.db2.gz WFJFWWHORVWXNN-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001605855765 1351238082 /nfs/dbraw/zinc/23/80/82/1351238082.db2.gz FMGAIGGSFQHXLF-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001605855765 1351238086 /nfs/dbraw/zinc/23/80/86/1351238086.db2.gz FMGAIGGSFQHXLF-UHFFFAOYSA-N 0 3 338.371 2.416 20 5 EEBDHN CN1CCN(Cc2cccc(CNc3cccnc3[N+](=O)[O-])c2)CC1 ZINC001330307573 1334820904 /nfs/dbraw/zinc/82/09/04/1334820904.db2.gz RKYQIPXDIDODOK-UHFFFAOYSA-N 0 3 341.415 2.349 20 5 EEBDHN COc1ccc(COC[C@@H](O)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001335674000 1336410889 /nfs/dbraw/zinc/41/08/89/1336410889.db2.gz QJMVTSWWECELAB-KRWDZBQOSA-N 0 3 346.383 2.271 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100203955 1338157376 /nfs/dbraw/zinc/15/73/76/1338157376.db2.gz NJLFWAAILUNEAW-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589629458 1349012964 /nfs/dbraw/zinc/01/29/64/1349012964.db2.gz AZFVHMZCDCBLMJ-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589629458 1349012968 /nfs/dbraw/zinc/01/29/68/1349012968.db2.gz AZFVHMZCDCBLMJ-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589629458 1349012972 /nfs/dbraw/zinc/01/29/72/1349012972.db2.gz AZFVHMZCDCBLMJ-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589629458 1349012976 /nfs/dbraw/zinc/01/29/76/1349012976.db2.gz AZFVHMZCDCBLMJ-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN Cc1cc(N2CCC([NH2+]C(C)C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605693305 1351215843 /nfs/dbraw/zinc/21/58/43/1351215843.db2.gz MHGZVAISTJWIDG-UHFFFAOYSA-N 0 3 345.407 2.050 20 5 EEBDHN Cc1cc(N2CCC([NH2+]C(C)C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605693305 1351215844 /nfs/dbraw/zinc/21/58/44/1351215844.db2.gz MHGZVAISTJWIDG-UHFFFAOYSA-N 0 3 345.407 2.050 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cncc(Cl)c1 ZINC001135291507 1368073998 /nfs/dbraw/zinc/07/39/98/1368073998.db2.gz YGMZTTOVZCTQCO-UHFFFAOYSA-N 0 3 334.763 2.163 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001116039080 1371718393 /nfs/dbraw/zinc/71/83/93/1371718393.db2.gz KQMGLMSIAPFOOR-KBPBESRZSA-N 0 3 341.433 2.054 20 5 EEBDHN CCc1n[nH]c(=O)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1CC ZINC000819164294 785440617 /nfs/dbraw/zinc/44/06/17/785440617.db2.gz WCBBIPJJWPRIPR-INIZCTEOSA-N 0 3 346.387 2.038 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1NC1(CO)Cc3ccccc3C1)CNC2 ZINC001171206500 790018741 /nfs/dbraw/zinc/01/87/41/790018741.db2.gz PKFGQJPRSVMDBG-UHFFFAOYSA-N 0 3 325.368 2.140 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCc3nccn3CC2)c1F ZINC001173195260 797283486 /nfs/dbraw/zinc/28/34/86/797283486.db2.gz DOKYGWARNCUHQQ-GFCCVEGCSA-N 0 3 348.378 2.428 20 5 EEBDHN O=C(NC1CCN(Cc2ccc(Cl)s2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002783320 798604645 /nfs/dbraw/zinc/60/46/45/798604645.db2.gz QPKSQSNHPZZOGD-VXGBXAGGSA-N 0 3 343.836 2.147 20 5 EEBDHN COC(=O)c1ccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036409 803580105 /nfs/dbraw/zinc/58/01/05/803580105.db2.gz FTUDDXFVSDUFDZ-WMLDXEAASA-N 0 3 347.415 2.041 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N1CCCc2ccc(CN)nc21 ZINC001169592103 803864515 /nfs/dbraw/zinc/86/45/15/803864515.db2.gz GSHJCIKDPICCFG-UHFFFAOYSA-N 0 3 342.355 2.319 20 5 EEBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000790580778 808816051 /nfs/dbraw/zinc/81/60/51/808816051.db2.gz USKXQUDLPRCTFS-JTQLQIEISA-N 0 3 341.770 2.283 20 5 EEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994181 214263104 /nfs/dbraw/zinc/26/31/04/214263104.db2.gz FHWAIKICZGWFIX-HOCLYGCPSA-N 0 3 347.415 2.227 20 5 EEBDHN COc1ncccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542056 242286624 /nfs/dbraw/zinc/28/66/24/242286624.db2.gz NWMPROWZSIYKLN-KBPBESRZSA-N 0 3 331.376 2.468 20 5 EEBDHN C[C@@H]1C[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447813709 242319886 /nfs/dbraw/zinc/31/98/86/242319886.db2.gz XELNHXFREZRNCO-GDBMZVCRSA-N 0 3 348.447 2.322 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1C ZINC000237666978 242747395 /nfs/dbraw/zinc/74/73/95/242747395.db2.gz DUJQAINKVITPDJ-AWEZNQCLSA-N 0 3 349.412 2.190 20 5 EEBDHN CCN1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450227017 242756518 /nfs/dbraw/zinc/75/65/18/242756518.db2.gz NZDDVFOHZCEUSA-UHFFFAOYSA-N 0 3 330.388 2.470 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451602119 243173379 /nfs/dbraw/zinc/17/33/79/243173379.db2.gz INFUAJYNFABUMS-MAUKXSAKSA-N 0 3 347.415 2.228 20 5 EEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246556435 243272035 /nfs/dbraw/zinc/27/20/35/243272035.db2.gz ZNRZDZOTXCSVMF-XQQFMLRXSA-N 0 3 334.420 2.273 20 5 EEBDHN C[C@H]1NCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262735391 245153972 /nfs/dbraw/zinc/15/39/72/245153972.db2.gz CKUDBCWLJHEJKF-MNOVXSKESA-N 0 3 341.795 2.226 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750004 245234170 /nfs/dbraw/zinc/23/41/70/245234170.db2.gz HFRNLVNQIGWREX-HUUCEWRRSA-N 0 3 333.388 2.389 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000266441610 248302929 /nfs/dbraw/zinc/30/29/29/248302929.db2.gz APFGTNABNUYNOH-UHFFFAOYSA-N 0 3 332.404 2.063 20 5 EEBDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000112645270 220363113 /nfs/dbraw/zinc/36/31/13/220363113.db2.gz YFMZUQWCTUSOLK-DYEKYZERSA-N 0 3 326.418 2.160 20 5 EEBDHN Cc1c(NC(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267203998 256037504 /nfs/dbraw/zinc/03/75/04/256037504.db2.gz RCACMNXGWATACF-OAHLLOKOSA-N 0 3 338.433 2.462 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159200 256120707 /nfs/dbraw/zinc/12/07/07/256120707.db2.gz HTJOETVBCLAZPW-XHDPSFHLSA-N 0 3 335.429 2.286 20 5 EEBDHN Cc1nc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000273242737 256279500 /nfs/dbraw/zinc/27/95/00/256279500.db2.gz UAFWGXVAICYXER-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EEBDHN Cc1cnc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273178946 256273734 /nfs/dbraw/zinc/27/37/34/256273734.db2.gz LLPMOGMUEQHQHH-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000054644910 292139831 /nfs/dbraw/zinc/13/98/31/292139831.db2.gz BDODCTRMKSCKBB-UHFFFAOYSA-N 0 3 332.404 2.063 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173320731 152158075 /nfs/dbraw/zinc/15/80/75/152158075.db2.gz WVCSDADFMHVNLI-CQSZACIVSA-N 0 3 334.420 2.022 20 5 EEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000191830529 152276906 /nfs/dbraw/zinc/27/69/06/152276906.db2.gz YOXIPKCQGZQWOF-WFASDCNBSA-N 0 3 349.387 2.054 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccncc1OCCN(C)C ZINC000341074128 152617959 /nfs/dbraw/zinc/61/79/59/152617959.db2.gz CXGIBFLTHLVHPB-UHFFFAOYSA-N 0 3 348.407 2.067 20 5 EEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)CN1CCc2ccccc2C1 ZINC000238053360 160227158 /nfs/dbraw/zinc/22/71/58/160227158.db2.gz FACAWMKSIYXKHL-SFHVURJKSA-N 0 3 341.411 2.104 20 5 EEBDHN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000341600366 161000262 /nfs/dbraw/zinc/00/02/62/161000262.db2.gz VGEMULRSBFMYKT-LBPRGKRZSA-N 0 3 326.418 2.460 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCC(C)(C)C2)n1 ZINC000343113806 161104912 /nfs/dbraw/zinc/10/49/12/161104912.db2.gz YYQNFIVNMGCVFA-UHFFFAOYSA-N 0 3 336.392 2.310 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)cc1SC ZINC000343385495 161130659 /nfs/dbraw/zinc/13/06/59/161130659.db2.gz DAXCOVCSHGRQLJ-UHFFFAOYSA-N 0 3 339.417 2.149 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000344077650 161196765 /nfs/dbraw/zinc/19/67/65/161196765.db2.gz WRBROGFTYDNZIG-HYVNUMGLSA-N 0 3 347.415 2.340 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000344737067 161241198 /nfs/dbraw/zinc/24/11/98/161241198.db2.gz XZKYOTXINJTZGD-HNNXBMFYSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000346383598 161368191 /nfs/dbraw/zinc/36/81/91/161368191.db2.gz AGDTZSRJRVQARA-CYBMUJFWSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048164 164224038 /nfs/dbraw/zinc/22/40/38/164224038.db2.gz RGKOGEUGWWAJPF-ZDUSSCGKSA-N 0 3 333.310 2.401 20 5 EEBDHN CC(C)N1CCN([C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375902075 167222308 /nfs/dbraw/zinc/22/23/08/167222308.db2.gz MCKIKVCSSHBDKQ-LJQANCHMSA-N 0 3 346.475 2.238 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375965268 167236378 /nfs/dbraw/zinc/23/63/78/167236378.db2.gz QGCIHMRGKUHRBN-INIZCTEOSA-N 0 3 341.367 2.220 20 5 EEBDHN COCCCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000122726106 222146712 /nfs/dbraw/zinc/14/67/12/222146712.db2.gz YLEQIZLIOYCBLS-UHFFFAOYSA-N 0 3 338.404 2.491 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000274131195 274186619 /nfs/dbraw/zinc/18/66/19/274186619.db2.gz YKCNWRSLUSFZAN-VHSXEESVSA-N 0 3 327.768 2.201 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000275429777 274247916 /nfs/dbraw/zinc/24/79/16/274247916.db2.gz VFCBFJMRNXLBRR-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000275429784 274247939 /nfs/dbraw/zinc/24/79/39/274247939.db2.gz VFCBFJMRNXLBRR-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN CCC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000285505632 274743405 /nfs/dbraw/zinc/74/34/05/274743405.db2.gz JLFYSQCIWXFOHK-MRXNPFEDSA-N 0 3 337.376 2.091 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029314 274928364 /nfs/dbraw/zinc/92/83/64/274928364.db2.gz LRHYIIUDPATNDE-BLLLJJGKSA-N 0 3 338.429 2.387 20 5 EEBDHN COc1ccc(C[C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289433702 275115680 /nfs/dbraw/zinc/11/56/80/275115680.db2.gz LDIGCWXJXWFYDM-OAHLLOKOSA-N 0 3 346.383 2.250 20 5 EEBDHN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000290882391 275248928 /nfs/dbraw/zinc/24/89/28/275248928.db2.gz CCKAUMDBPITEMI-SMDDNHRTSA-N 0 3 343.387 2.192 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000293913930 293325760 /nfs/dbraw/zinc/32/57/60/293325760.db2.gz AMMZSLDEGNVWGI-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EEBDHN Cc1nc(N(CCN(C)C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000297580691 294285994 /nfs/dbraw/zinc/28/59/94/294285994.db2.gz STYCWMNQVHJYKV-UHFFFAOYSA-N 0 3 333.367 2.401 20 5 EEBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(CC4CCCCC4)CC3)nn21 ZINC000302000038 294918786 /nfs/dbraw/zinc/91/87/86/294918786.db2.gz PYPDUZHUDWOPFE-UHFFFAOYSA-N 0 3 344.419 2.340 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CCN(C)CC3)c1 ZINC000370203831 295253135 /nfs/dbraw/zinc/25/31/35/295253135.db2.gz KQTFNVLZAVBDMY-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160969392 311360617 /nfs/dbraw/zinc/36/06/17/311360617.db2.gz LCOUMBLYSXFQRQ-QWHCGFSZSA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301160 313477205 /nfs/dbraw/zinc/47/72/05/313477205.db2.gz ACNKWJMVETUMAH-WBMJQRKESA-N 0 3 338.429 2.387 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNCc2ccccc21 ZINC000430952671 314598071 /nfs/dbraw/zinc/59/80/71/314598071.db2.gz ZWXLAHFAZPCCDO-UHFFFAOYSA-N 0 3 340.383 2.452 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432855641 314728677 /nfs/dbraw/zinc/72/86/77/314728677.db2.gz WTRUMQSIKXXGFO-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720666 317023992 /nfs/dbraw/zinc/02/39/92/317023992.db2.gz KAYLYGHKCPWQAV-AWEZNQCLSA-N 0 3 334.420 2.245 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000525804117 317078429 /nfs/dbraw/zinc/07/84/29/317078429.db2.gz JBVDDFIJWLUKFT-ZDUSSCGKSA-N 0 3 330.388 2.008 20 5 EEBDHN CCCC(CCC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073229 318051577 /nfs/dbraw/zinc/05/15/77/318051577.db2.gz JLMYCORRXNHDDZ-UHFFFAOYSA-N 0 3 343.449 2.432 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(CC(C)C)CC1 ZINC000557476983 318681556 /nfs/dbraw/zinc/68/15/56/318681556.db2.gz JEXKRFLWOLUETC-UHFFFAOYSA-N 0 3 335.404 2.468 20 5 EEBDHN CC(C)[C@@]1(C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860859 319119254 /nfs/dbraw/zinc/11/92/54/319119254.db2.gz WEIORJNVQAUDDB-LSDHHAIUSA-N 0 3 326.418 2.393 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1OC ZINC000573608206 319950412 /nfs/dbraw/zinc/95/04/12/319950412.db2.gz FZXOLFWCEAAEQD-YRGRVCCFSA-N 0 3 326.418 2.469 20 5 EEBDHN Cn1cc2c(n1)CCC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576031070 320135132 /nfs/dbraw/zinc/13/51/32/320135132.db2.gz ACRDWCRASVBJKX-ZDUSSCGKSA-N 0 3 343.387 2.324 20 5 EEBDHN COc1cc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635780 465139302 /nfs/dbraw/zinc/13/93/02/465139302.db2.gz YDDDWPHDCBBJJN-DOMZBBRYSA-N 0 3 347.371 2.089 20 5 EEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000061635542 462593968 /nfs/dbraw/zinc/59/39/68/462593968.db2.gz GGUKFJJRBPEOLE-UHFFFAOYSA-N 0 3 349.416 2.327 20 5 EEBDHN CCc1nn(C)c(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000091736630 462900627 /nfs/dbraw/zinc/90/06/27/462900627.db2.gz QTFZHQVHGJNJIM-CHWSQXEVSA-N 0 3 339.440 2.192 20 5 EEBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026218835 463154514 /nfs/dbraw/zinc/15/45/14/463154514.db2.gz OGNOTUAUNGUKLS-CYBMUJFWSA-N 0 3 349.387 2.199 20 5 EEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111832213 463683635 /nfs/dbraw/zinc/68/36/35/463683635.db2.gz OWHMJVYYENQXLV-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN COCCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171129841 463793852 /nfs/dbraw/zinc/79/38/52/463793852.db2.gz DFCWWYRLVJEAMH-UHFFFAOYSA-N 0 3 337.401 2.118 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC000276949942 463816784 /nfs/dbraw/zinc/81/67/84/463816784.db2.gz BPHOFJWGASVHGP-INIZCTEOSA-N 0 3 343.387 2.088 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC000276949947 463817641 /nfs/dbraw/zinc/81/76/41/463817641.db2.gz BPHOFJWGASVHGP-MRXNPFEDSA-N 0 3 343.387 2.088 20 5 EEBDHN CO[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000276955596 463819995 /nfs/dbraw/zinc/81/99/95/463819995.db2.gz WJQABQQZKNIXAM-IYBDPMFKSA-N 0 3 347.371 2.138 20 5 EEBDHN O=c1[nH]c(N2CC[C@H](N3CCCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000287235647 463842878 /nfs/dbraw/zinc/84/28/78/463842878.db2.gz JHTNMSXCVZFUTG-ZDUSSCGKSA-N 0 3 343.387 2.308 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269352259 463961693 /nfs/dbraw/zinc/96/16/93/463961693.db2.gz GVFFSMMYNMEHEK-RYUDHWBXSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195317016 464039790 /nfs/dbraw/zinc/03/97/90/464039790.db2.gz GLVVZGMZCFPOIU-TZMCWYRMSA-N 0 3 335.429 2.382 20 5 EEBDHN CO[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971153 468387691 /nfs/dbraw/zinc/38/76/91/468387691.db2.gz RUIOKFSXEAHGSR-JKSUJKDBSA-N 0 3 334.372 2.413 20 5 EEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000263677564 464149201 /nfs/dbraw/zinc/14/92/01/464149201.db2.gz HNUVVQLTTQPZFW-CQSZACIVSA-N 0 3 338.383 2.089 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000188855980 464383909 /nfs/dbraw/zinc/38/39/09/464383909.db2.gz LMQXMHAWHLEFGP-CQSZACIVSA-N 0 3 349.435 2.051 20 5 EEBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CN2CCc3ccccc3C2)cs1 ZINC000237955283 464410280 /nfs/dbraw/zinc/41/02/80/464410280.db2.gz UQDCBUMNBDHDRG-MRXNPFEDSA-N 0 3 347.440 2.165 20 5 EEBDHN O=C([N-][C@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133533 464490541 /nfs/dbraw/zinc/49/05/41/464490541.db2.gz XKTYFPPSRVWKAA-KBPBESRZSA-N 0 3 339.342 2.430 20 5 EEBDHN O=C([N-][C@H]1CC[N@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133533 464490546 /nfs/dbraw/zinc/49/05/46/464490546.db2.gz XKTYFPPSRVWKAA-KBPBESRZSA-N 0 3 339.342 2.430 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000281582423 464511951 /nfs/dbraw/zinc/51/19/51/464511951.db2.gz MYXBVRMPENRDCG-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285302361 464516513 /nfs/dbraw/zinc/51/65/13/464516513.db2.gz WAOWUZOIEVNCKA-LBPRGKRZSA-N 0 3 337.405 2.192 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272233825 464529024 /nfs/dbraw/zinc/52/90/24/464529024.db2.gz VCCFDQFFSQRFFM-DYVFJYSZSA-N 0 3 346.431 2.263 20 5 EEBDHN COCCCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272251263 464536546 /nfs/dbraw/zinc/53/65/46/464536546.db2.gz CAINHKQUZMFYJU-UHFFFAOYSA-N 0 3 334.319 2.373 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000272487236 464629022 /nfs/dbraw/zinc/62/90/22/464629022.db2.gz MRRDJBIJEWPWTB-NHYWBVRUSA-N 0 3 328.372 2.242 20 5 EEBDHN COc1ccc([C@@H](CCO)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395696 464645148 /nfs/dbraw/zinc/64/51/48/464645148.db2.gz HYQUVUOBRLDLEV-QZTJIDSGSA-N 0 3 346.383 2.350 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CCC(O)CC3)o2)c1 ZINC000294919928 464649014 /nfs/dbraw/zinc/64/90/14/464649014.db2.gz SYIWVYDOKMYWCE-UHFFFAOYSA-N 0 3 345.399 2.401 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000299228827 465656476 /nfs/dbraw/zinc/65/64/76/465656476.db2.gz JDYSDOSUHQHCPX-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000362362368 465680945 /nfs/dbraw/zinc/68/09/45/465680945.db2.gz MGBDZVHQTYRRIL-RHSMWYFYSA-N 0 3 336.388 2.421 20 5 EEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335467 465724061 /nfs/dbraw/zinc/72/40/61/465724061.db2.gz LFBSKENRBRUMOE-WBVHZDCISA-N 0 3 330.388 2.416 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000331371061 466052833 /nfs/dbraw/zinc/05/28/33/466052833.db2.gz DNLLKHPJYNMCMS-NXEZZACHSA-N 0 3 339.342 2.157 20 5 EEBDHN COC(=O)c1cnc(N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761151 466179026 /nfs/dbraw/zinc/17/90/26/466179026.db2.gz KFZHVJPRMCWGLE-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC000349720925 466204312 /nfs/dbraw/zinc/20/43/12/466204312.db2.gz LDHRBSBMSGLLHM-CHWSQXEVSA-N 0 3 344.419 2.309 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c1C ZINC000349784313 466238011 /nfs/dbraw/zinc/23/80/11/466238011.db2.gz PTGBYBMWSQTXER-LBPRGKRZSA-N 0 3 343.449 2.219 20 5 EEBDHN Cc1c(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330661 466307869 /nfs/dbraw/zinc/30/78/69/466307869.db2.gz HQIAYRIFCXAVKN-CRAIPNDOSA-N 0 3 346.475 2.361 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000338697406 466317413 /nfs/dbraw/zinc/31/74/13/466317413.db2.gz XLGGIYBOPDRKBW-HOCLYGCPSA-N 0 3 348.447 2.066 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000332051125 466362649 /nfs/dbraw/zinc/36/26/49/466362649.db2.gz NAGXOGBRMZNQCX-JSGCOSHPSA-N 0 3 330.388 2.148 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354373969 466518371 /nfs/dbraw/zinc/51/83/71/466518371.db2.gz WOMNRDORAOUHNR-LBPRGKRZSA-N 0 3 338.383 2.310 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354444842 466573439 /nfs/dbraw/zinc/57/34/39/466573439.db2.gz MATKXJACTOFAGR-LBPRGKRZSA-N 0 3 345.403 2.465 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362148280 466588412 /nfs/dbraw/zinc/58/84/12/466588412.db2.gz ISARMKMECOADIK-IUODEOHRSA-N 0 3 335.404 2.331 20 5 EEBDHN C[C@H](CCN(C)C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000350735505 466592098 /nfs/dbraw/zinc/59/20/98/466592098.db2.gz FXPSJMIAPDYYBV-GFCCVEGCSA-N 0 3 345.403 2.311 20 5 EEBDHN CN(C)CCOC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347409951 466619118 /nfs/dbraw/zinc/61/91/18/466619118.db2.gz DGQUJFKBNROJQJ-UHFFFAOYSA-N 0 3 345.403 2.085 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)Cc2ccccc2C1 ZINC000368458887 466642200 /nfs/dbraw/zinc/64/22/00/466642200.db2.gz RVGIUGRGOQDMPK-UHFFFAOYSA-N 0 3 325.368 2.050 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000324892399 466650710 /nfs/dbraw/zinc/65/07/10/466650710.db2.gz GMNSDLDTUBTTQR-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CCc1ccc([C@H](NC[C@H]2CNCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580227 466778350 /nfs/dbraw/zinc/77/83/50/466778350.db2.gz XKVPUZHCZAHKFQ-SJLPKXTDSA-N 0 3 345.399 2.418 20 5 EEBDHN N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424023169 466955683 /nfs/dbraw/zinc/95/56/83/466955683.db2.gz ANLVRCNWYTXAMH-WCQYABFASA-N 0 3 335.360 2.362 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000377643876 467104687 /nfs/dbraw/zinc/10/46/87/467104687.db2.gz QWZMIUCFCYZJBI-AWEZNQCLSA-N 0 3 340.383 2.062 20 5 EEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)N1CCN(C)CC1 ZINC000413111807 467171618 /nfs/dbraw/zinc/17/16/18/467171618.db2.gz JDXKDIIPBKIIQW-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CN(CC(=O)N1CCCC12CCN(C)CC2)c1ccccc1[N+](=O)[O-] ZINC000378338203 467269262 /nfs/dbraw/zinc/26/92/62/467269262.db2.gz YAEFVRNFJNBHIS-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420368440 467380995 /nfs/dbraw/zinc/38/09/95/467380995.db2.gz AQTLLYRSYKFCNN-CZUORRHYSA-N 0 3 344.419 2.352 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000453047018 467457824 /nfs/dbraw/zinc/45/78/24/467457824.db2.gz YXKCIWDRQHJJDH-RKVPGOIHSA-N 0 3 332.400 2.455 20 5 EEBDHN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C ZINC000454886171 467622260 /nfs/dbraw/zinc/62/22/60/467622260.db2.gz HGHLCEZXVCDTPJ-VIFPVBQESA-N 0 3 348.325 2.363 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458751695 467891633 /nfs/dbraw/zinc/89/16/33/467891633.db2.gz GQWLHMMNNODYPP-DZGCQCFKSA-N 0 3 334.420 2.434 20 5 EEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc2[nH]ccc21 ZINC000494099551 468027481 /nfs/dbraw/zinc/02/74/81/468027481.db2.gz SDBJKOPUPLYALI-UHFFFAOYSA-N 0 3 326.356 2.370 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195152 468507462 /nfs/dbraw/zinc/50/74/62/468507462.db2.gz CMDRULAZNYWQNF-GJZGRUSLSA-N 0 3 335.379 2.410 20 5 EEBDHN C[C@H]1CC2(CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCOCC2 ZINC000592183021 468647809 /nfs/dbraw/zinc/64/78/09/468647809.db2.gz HGSQGMVWZNBZFJ-LBPRGKRZSA-N 0 3 333.388 2.085 20 5 EEBDHN CCc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000592368135 468684345 /nfs/dbraw/zinc/68/43/45/468684345.db2.gz SZUIOBXNUPGUJV-OAHLLOKOSA-N 0 3 349.412 2.136 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261004 468810136 /nfs/dbraw/zinc/81/01/36/468810136.db2.gz CIKIEWROGPZWQB-LBPRGKRZSA-N 0 3 337.424 2.292 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598262892 468810799 /nfs/dbraw/zinc/81/07/99/468810799.db2.gz NNMQLCAJDCMYFA-GFCCVEGCSA-N 0 3 345.403 2.321 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000595322212 468812189 /nfs/dbraw/zinc/81/21/89/468812189.db2.gz PVYKIZFROMBEJL-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN CCCN1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000598342283 468836732 /nfs/dbraw/zinc/83/67/32/468836732.db2.gz LQPKKHFOTSBISI-ZDUSSCGKSA-N 0 3 330.388 2.219 20 5 EEBDHN CNC(=O)c1ccc(N[C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488140 469282058 /nfs/dbraw/zinc/28/20/58/469282058.db2.gz MNYVJBNXTSSDOW-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCO[C@@]4(CCOC4)C3)nc2c1 ZINC000602580889 469370093 /nfs/dbraw/zinc/37/00/93/469370093.db2.gz DYHYVYYNWMHNRN-ZBEGNZNMSA-N 0 3 333.344 2.164 20 5 EEBDHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388426 469700703 /nfs/dbraw/zinc/70/07/03/469700703.db2.gz ABVDEMWEDBKVNH-CJNGLKHVSA-N 0 3 343.383 2.288 20 5 EEBDHN CCO[C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000602538404 485640728 /nfs/dbraw/zinc/64/07/28/485640728.db2.gz FKVNSGWRYQDYIT-GVDBMIGSSA-N 0 3 336.388 2.290 20 5 EEBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000731469569 577102345 /nfs/dbraw/zinc/10/23/45/577102345.db2.gz ZULHTBVFURSTLI-CYBMUJFWSA-N 0 3 328.372 2.066 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc3c2OCCO3)cc1 ZINC000731678964 577116112 /nfs/dbraw/zinc/11/61/12/577116112.db2.gz UDNPCLDFAOGHPP-HNNXBMFYSA-N 0 3 330.340 2.189 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000733165327 577206105 /nfs/dbraw/zinc/20/61/05/577206105.db2.gz BUPILZMGWURCSF-MRXNPFEDSA-N 0 3 336.436 2.489 20 5 EEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733165743 577206121 /nfs/dbraw/zinc/20/61/21/577206121.db2.gz LLPNHHOQSLTZGE-INIZCTEOSA-N 0 3 345.403 2.097 20 5 EEBDHN CC(C)[C@H](CCO)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771793199 577230169 /nfs/dbraw/zinc/23/01/69/577230169.db2.gz IXNQWMYOTRTJRD-NSHDSACASA-N 0 3 329.784 2.183 20 5 EEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768843899 577563906 /nfs/dbraw/zinc/56/39/06/577563906.db2.gz XWYGQUDGXOLIDA-GHMZBOCLSA-N 0 3 347.462 2.150 20 5 EEBDHN CCN(CCc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000744194358 577894323 /nfs/dbraw/zinc/89/43/23/577894323.db2.gz DFXPGEZQYPSCDK-KRWDZBQOSA-N 0 3 345.399 2.294 20 5 EEBDHN Cc1nn(CN(C)CCCn2ccnc2C)c2ncc([N+](=O)[O-])cc12 ZINC000746631645 577931231 /nfs/dbraw/zinc/93/12/31/577931231.db2.gz MYUZSWDAGWAVRB-UHFFFAOYSA-N 0 3 343.391 2.132 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000748517478 577963370 /nfs/dbraw/zinc/96/33/70/577963370.db2.gz WJNLTENIQHWBBN-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN COc1cc(CN[C@H](CCO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000741257056 578115708 /nfs/dbraw/zinc/11/57/08/578115708.db2.gz BSXSZFQIXPFLIR-LLVKDONJSA-N 0 3 346.330 2.455 20 5 EEBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138661 578182731 /nfs/dbraw/zinc/18/27/31/578182731.db2.gz NLNCLKBNZSMWDT-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138661 578182732 /nfs/dbraw/zinc/18/27/32/578182732.db2.gz NLNCLKBNZSMWDT-SNVBAGLBSA-N 0 3 333.396 2.163 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N(C)OC ZINC000858587579 674736441 /nfs/dbraw/zinc/73/64/41/674736441.db2.gz PLDOFECBDBZVMV-NEPJUHHUSA-N 0 3 341.433 2.463 20 5 EEBDHN COc1c(O)ccc(CNCCN2CCc3ccccc32)c1[N+](=O)[O-] ZINC000892710885 682826014 /nfs/dbraw/zinc/82/60/14/682826014.db2.gz DUOCWPWHTAWISB-UHFFFAOYSA-N 0 3 343.383 2.461 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010848 691181291 /nfs/dbraw/zinc/18/12/91/691181291.db2.gz JHMDDOAAOHYWAU-KWQFWETISA-N 0 3 342.783 2.483 20 5 EEBDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867400 1189943663 /nfs/dbraw/zinc/94/36/63/1189943663.db2.gz NJGRLFFPZDROAO-MWODSPESSA-N 0 3 327.768 2.200 20 5 EEBDHN COc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000873028763 1198478036 /nfs/dbraw/zinc/47/80/36/1198478036.db2.gz ZTYHTFHSIVSIAB-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN CC(COC(=O)c1occc1CN1C(=O)Cc2ccccc21)[N+](=O)[O-] ZINC000813113579 1201124483 /nfs/dbraw/zinc/12/44/83/1201124483.db2.gz GMPWFYRPWOQONZ-LLVKDONJSA-N 0 3 344.323 2.191 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000866336281 1201495673 /nfs/dbraw/zinc/49/56/73/1201495673.db2.gz PDLMXLWZHYQWPF-BXUZGUMPSA-N 0 3 344.408 2.222 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2Cc3ccccc3N3CCC[C@@H]3C2)c1 ZINC000880550925 1201519665 /nfs/dbraw/zinc/51/96/65/1201519665.db2.gz WWSBJRIRQPEYHG-OAHLLOKOSA-N 0 3 327.388 2.276 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000880569182 1201525386 /nfs/dbraw/zinc/52/53/86/1201525386.db2.gz JHKYFCMWGSWJIO-INIZCTEOSA-N 0 3 326.360 2.019 20 5 EEBDHN O=[N+]([O-])c1ncccc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000886118656 1202474807 /nfs/dbraw/zinc/47/48/07/1202474807.db2.gz MOQGJEJMCPKMCJ-UHFFFAOYSA-N 0 3 348.447 2.314 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095567053 1205877019 /nfs/dbraw/zinc/87/70/19/1205877019.db2.gz NZYSJOXRMIWAAF-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095567318 1205877085 /nfs/dbraw/zinc/87/70/85/1205877085.db2.gz YLGNGTWTMUHMNO-UHFFFAOYSA-N 0 3 340.399 2.018 20 5 EEBDHN CC(C)[NH+](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000194336136 1211161844 /nfs/dbraw/zinc/16/18/44/1211161844.db2.gz OKMXSVCKAVWROS-UHFFFAOYSA-N 0 3 347.412 2.131 20 5 EEBDHN CC(C)=CCN1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264612 1247932682 /nfs/dbraw/zinc/93/26/82/1247932682.db2.gz MRXSTULRJYXHSJ-IAGOWNOFSA-N 0 3 329.400 2.250 20 5 EEBDHN CC1CCN(CC(=O)N(C)CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001101740024 1299780756 /nfs/dbraw/zinc/78/07/56/1299780756.db2.gz MVVDUYWPSWJTES-UHFFFAOYSA-N 0 3 334.420 2.197 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)C[C@H]1N2C ZINC001222770886 1299846926 /nfs/dbraw/zinc/84/69/26/1299846926.db2.gz OCDJSUPCPVTPDM-NXOAAHMSSA-N 0 3 334.372 2.278 20 5 EEBDHN CN(CCCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001231177231 1303667001 /nfs/dbraw/zinc/66/70/01/1303667001.db2.gz WBUNMHUKAIKUNX-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001122823291 1310402858 /nfs/dbraw/zinc/40/28/58/1310402858.db2.gz WJIOWHAQOWZUDQ-CYBMUJFWSA-N 0 3 338.456 2.192 20 5 EEBDHN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CN1 ZINC000841857457 1315625033 /nfs/dbraw/zinc/62/50/33/1315625033.db2.gz ZKYDIMXBSPSBDM-UWVGGRQHSA-N 0 3 326.784 2.140 20 5 EEBDHN O=C(COCc1ccccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150747165 1316362642 /nfs/dbraw/zinc/36/26/42/1316362642.db2.gz MRQAHDOXWDONSS-UHFFFAOYSA-N 0 3 343.383 2.017 20 5 EEBDHN COc1cccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)n1 ZINC001249342536 1317057493 /nfs/dbraw/zinc/05/74/93/1317057493.db2.gz NVXYWRODYSOXMA-LLVKDONJSA-N 0 3 341.327 2.291 20 5 EEBDHN CCOCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154973515 1317406171 /nfs/dbraw/zinc/40/61/71/1317406171.db2.gz HZZPTLWCNVKHOH-UHFFFAOYSA-N 0 3 329.422 2.069 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001155247426 1317520318 /nfs/dbraw/zinc/52/03/18/1317520318.db2.gz HJSWLXATRPZDQM-SECBINFHSA-N 0 3 341.327 2.135 20 5 EEBDHN COC(=O)c1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254546621 1318116754 /nfs/dbraw/zinc/11/67/54/1318116754.db2.gz HKBUCDCXBMCQKH-GFCCVEGCSA-N 0 3 329.356 2.497 20 5 EEBDHN O=C(CCOCC1CC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157894038 1318920475 /nfs/dbraw/zinc/92/04/75/1318920475.db2.gz PXXUWGGOAACKHS-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN CC(C)OCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163698654 1321196068 /nfs/dbraw/zinc/19/60/68/1321196068.db2.gz BWLXGQYTKUOVGF-UHFFFAOYSA-N 0 3 349.431 2.396 20 5 EEBDHN N[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC001332514642 1335838955 /nfs/dbraw/zinc/83/89/55/1335838955.db2.gz ASLNEWCQXAADPJ-KRWDZBQOSA-N 0 3 346.431 2.151 20 5 EEBDHN Cc1cccc([C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001333007160 1335946171 /nfs/dbraw/zinc/94/61/71/1335946171.db2.gz WNQDDACWLWQUNP-INIZCTEOSA-N 0 3 330.388 2.470 20 5 EEBDHN Cc1nc(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001334304824 1336236387 /nfs/dbraw/zinc/23/63/87/1336236387.db2.gz MUFLVZZBRMQXBE-FOLVSLTJSA-N 0 3 325.372 2.236 20 5 EEBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590261880 1349237781 /nfs/dbraw/zinc/23/77/81/1349237781.db2.gz ZBFTYKOGMPJCHZ-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590261880 1349237785 /nfs/dbraw/zinc/23/77/85/1349237785.db2.gz ZBFTYKOGMPJCHZ-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590261880 1349237791 /nfs/dbraw/zinc/23/77/91/1349237791.db2.gz ZBFTYKOGMPJCHZ-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590261880 1349237794 /nfs/dbraw/zinc/23/77/94/1349237794.db2.gz ZBFTYKOGMPJCHZ-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1csc([N+](=O)[O-])c1 ZINC000918696709 769324834 /nfs/dbraw/zinc/32/48/34/769324834.db2.gz GONUCXPJSKBVCL-ZDUSSCGKSA-N 0 3 339.417 2.030 20 5 EEBDHN CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001106979769 782761935 /nfs/dbraw/zinc/76/19/35/782761935.db2.gz XKEONOKVVIGOIK-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC(C)N(C)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091462216 790902331 /nfs/dbraw/zinc/90/23/31/790902331.db2.gz GPOFSTUECQMKAN-CTYIDZIISA-N 0 3 334.420 2.242 20 5 EEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000818981527 785349026 /nfs/dbraw/zinc/34/90/26/785349026.db2.gz VUXHNQWFELZAMC-HNNXBMFYSA-N 0 3 347.327 2.033 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCC[S@@](=O)Cc2ccccc2)cc1 ZINC000819042368 785372231 /nfs/dbraw/zinc/37/22/31/785372231.db2.gz MDLQSTPQIDWWDF-MZNJEOGPSA-N 0 3 348.424 2.167 20 5 EEBDHN COc1cc(C)ccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148456683 792437336 /nfs/dbraw/zinc/43/73/36/792437336.db2.gz YBUKFDFSRYSVSL-UHFFFAOYSA-N 0 3 343.383 2.431 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N[C@H]3COC[C@@H]3F)CC2)c(F)c1 ZINC001173014129 797197069 /nfs/dbraw/zinc/19/70/69/797197069.db2.gz LPALOHNTDMLLKS-KBPBESRZSA-N 0 3 345.321 2.168 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](C(N)=O)C(C)(C)C)c1F ZINC001173191941 797282044 /nfs/dbraw/zinc/28/20/44/797282044.db2.gz NWYOINMEEOENLI-YMTOWFKASA-N 0 3 341.383 2.163 20 5 EEBDHN CCCN(C)CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110193699 798368199 /nfs/dbraw/zinc/36/81/99/798368199.db2.gz TYVNCZYHLLQUON-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001086231891 802557246 /nfs/dbraw/zinc/55/72/46/802557246.db2.gz HCDIWEIMVPKPSN-BJHJDKERSA-N 0 3 346.412 2.350 20 5 EEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ncccc1F ZINC001169159395 803640984 /nfs/dbraw/zinc/64/09/84/803640984.db2.gz JSFDRFMLPFKVMV-UHFFFAOYSA-N 0 3 338.364 2.100 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnoc1C1CC1 ZINC001169987300 805125750 /nfs/dbraw/zinc/12/57/50/805125750.db2.gz DINJLEHNAHBZLE-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN Cc1cc(NCCCN(C)C(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001109454777 805492065 /nfs/dbraw/zinc/49/20/65/805492065.db2.gz RMKNEUKZGBYDQB-UHFFFAOYSA-N 0 3 334.420 2.259 20 5 EEBDHN COC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330102 809894813 /nfs/dbraw/zinc/89/48/13/809894813.db2.gz YTAZASARYLFJAN-GXTWGEPZSA-N 0 3 336.388 2.419 20 5 EEBDHN Cc1cc(N[C@H](C)[C@@H]2CNCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572776 813014443 /nfs/dbraw/zinc/01/44/43/813014443.db2.gz SBWKAQJCJPSCPN-DOMZBBRYSA-N 0 3 343.387 2.149 20 5 EEBDHN CN1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174020150 530050036 /nfs/dbraw/zinc/05/00/36/530050036.db2.gz ZAUWVHLFLUJQLK-UHFFFAOYSA-N 0 3 341.795 2.228 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)c1C ZINC000236721263 242333135 /nfs/dbraw/zinc/33/31/35/242333135.db2.gz GUHWJORMMMJBIE-HNNXBMFYSA-N 0 3 343.449 2.253 20 5 EEBDHN CNC(=O)C[C@@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449598658 242571793 /nfs/dbraw/zinc/57/17/93/242571793.db2.gz COTGSEDKPVLKOE-LLVKDONJSA-N 0 3 347.371 2.478 20 5 EEBDHN C[C@@H](CN1CCOCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548022 243153233 /nfs/dbraw/zinc/15/32/33/243153233.db2.gz LZTKYEONPSBXAL-DOTOQJQBSA-N 0 3 333.432 2.495 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592683 243170413 /nfs/dbraw/zinc/17/04/13/243170413.db2.gz AFHMDVKOPCNKPG-KDOFPFPSSA-N 0 3 347.415 2.228 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000266540495 248352003 /nfs/dbraw/zinc/35/20/03/248352003.db2.gz GUFZDRORXJYZPX-HOTGVXAUSA-N 0 3 334.351 2.128 20 5 EEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC000117741644 221085768 /nfs/dbraw/zinc/08/57/68/221085768.db2.gz FWZZWYXYXZKNEV-UHFFFAOYSA-N 0 3 325.796 2.343 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268140439 256118409 /nfs/dbraw/zinc/11/84/09/256118409.db2.gz KEKSSDATBGCSBG-MFKMUULPSA-N 0 3 334.376 2.061 20 5 EEBDHN CN(C)CCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273288385 256284510 /nfs/dbraw/zinc/28/45/10/256284510.db2.gz WYMYLRWKBLFWJM-UHFFFAOYSA-N 0 3 331.825 2.360 20 5 EEBDHN CC1(C)CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273353812 256289171 /nfs/dbraw/zinc/28/91/71/256289171.db2.gz NJKREZNNKMKJBY-GFCCVEGCSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCOC2=O)cc1 ZINC000181267285 533406491 /nfs/dbraw/zinc/40/64/91/533406491.db2.gz LKPRMNLKXLWTOU-GFCCVEGCSA-N 0 3 345.359 2.099 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000068660691 159021440 /nfs/dbraw/zinc/02/14/40/159021440.db2.gz RUKVEWZODRNHKW-UHFFFAOYSA-N 0 3 345.403 2.262 20 5 EEBDHN O=C(NCCCNCc1cccnc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000237730466 160224566 /nfs/dbraw/zinc/22/45/66/160224566.db2.gz RFPPINLHUOXRSP-UHFFFAOYSA-N 0 3 332.335 2.039 20 5 EEBDHN CSC[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247297485 160318406 /nfs/dbraw/zinc/31/84/06/160318406.db2.gz UNFSNPKCXPHGKZ-ZIAGYGMSSA-N 0 3 326.418 2.162 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCN1C ZINC000343446093 161136749 /nfs/dbraw/zinc/13/67/49/161136749.db2.gz LUXCDTFLHCPJHH-FZMZJTMJSA-N 0 3 332.404 2.382 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344722178 161239574 /nfs/dbraw/zinc/23/95/74/161239574.db2.gz JEYADLYDFZOOAZ-LBPRGKRZSA-N 0 3 349.435 2.217 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344722178 161239575 /nfs/dbraw/zinc/23/95/75/161239575.db2.gz JEYADLYDFZOOAZ-LBPRGKRZSA-N 0 3 349.435 2.217 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000345196435 161280782 /nfs/dbraw/zinc/28/07/82/161280782.db2.gz ABJAHEPBVJWBRS-UHFFFAOYSA-N 0 3 344.371 2.111 20 5 EEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854287 161337586 /nfs/dbraw/zinc/33/75/86/161337586.db2.gz MXFBCZGFNKVLSQ-NEPJUHHUSA-N 0 3 343.330 2.201 20 5 EEBDHN CCCN(CC)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360452771 164313827 /nfs/dbraw/zinc/31/38/27/164313827.db2.gz XIITYYQWJUYCAI-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000375965269 167236326 /nfs/dbraw/zinc/23/63/26/167236326.db2.gz QGCIHMRGKUHRBN-MRXNPFEDSA-N 0 3 341.367 2.220 20 5 EEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000271664808 268849777 /nfs/dbraw/zinc/84/97/77/268849777.db2.gz HSAWLHQGANPRBN-GFCCVEGCSA-N 0 3 349.412 2.136 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892893 274119112 /nfs/dbraw/zinc/11/91/12/274119112.db2.gz BXYADEIUFGTYDB-AEAUEXCSSA-N 0 3 345.399 2.469 20 5 EEBDHN CC(C)(C)OC(=O)NCCCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278565191 274374159 /nfs/dbraw/zinc/37/41/59/274374159.db2.gz BKEUSSGKUFQVHT-UHFFFAOYSA-N 0 3 349.391 2.476 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(CN2CCN(C3CCOCC3)CC2)c(F)c1 ZINC000286612604 274889381 /nfs/dbraw/zinc/88/93/81/274889381.db2.gz YMVKJJFBEBYCLW-UHFFFAOYSA-N 0 3 341.358 2.170 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286904998 274917584 /nfs/dbraw/zinc/91/75/84/274917584.db2.gz COFRYQOXINUJIL-WFASDCNBSA-N 0 3 333.388 2.302 20 5 EEBDHN CCN(CC)[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000287984627 275012296 /nfs/dbraw/zinc/01/22/96/275012296.db2.gz ARYVVHUMRTYEON-LBPRGKRZSA-N 0 3 331.376 2.164 20 5 EEBDHN O=[N+]([O-])c1c(NC[C@@H](O)CN2CCCCC2)ccc2ncccc21 ZINC000112074295 275032781 /nfs/dbraw/zinc/03/27/81/275032781.db2.gz YWDFREMDXTZGAA-CYBMUJFWSA-N 0 3 330.388 2.402 20 5 EEBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000288276852 275041716 /nfs/dbraw/zinc/04/17/16/275041716.db2.gz QXDPEGVJQPSBNW-YPMHNXCESA-N 0 3 328.376 2.042 20 5 EEBDHN CN(C[C@H](O)COc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000290805353 275241761 /nfs/dbraw/zinc/24/17/61/275241761.db2.gz QKIJCJTVAAFXQQ-JTQLQIEISA-N 0 3 345.193 2.191 20 5 EEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181317492 279282934 /nfs/dbraw/zinc/28/29/34/279282934.db2.gz GSYNTTVODYXZSW-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCN(C)CC1 ZINC000294210478 293396017 /nfs/dbraw/zinc/39/60/17/293396017.db2.gz IRRHFUYBCJEFKC-UHFFFAOYSA-N 0 3 343.387 2.151 20 5 EEBDHN CCS[C@H]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859843 311347586 /nfs/dbraw/zinc/34/75/86/311347586.db2.gz KQOBHLSHKUVHIY-OCCSQVGLSA-N 0 3 325.434 2.363 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1(OC)CCC1 ZINC000412021354 312599127 /nfs/dbraw/zinc/59/91/27/312599127.db2.gz MFFOMQLKNSBKKY-NSHDSACASA-N 0 3 337.376 2.089 20 5 EEBDHN COC1([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000421030395 314031053 /nfs/dbraw/zinc/03/10/53/314031053.db2.gz JLXLOKKXJFBOLO-NSHDSACASA-N 0 3 334.376 2.145 20 5 EEBDHN COC1([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000421030393 314031644 /nfs/dbraw/zinc/03/16/44/314031644.db2.gz JLXLOKKXJFBOLO-LLVKDONJSA-N 0 3 334.376 2.145 20 5 EEBDHN C[C@H]1C[C@@H](CO)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361020 314091626 /nfs/dbraw/zinc/09/16/26/314091626.db2.gz KBENYQKMMAYAAI-UONOGXRCSA-N 0 3 344.415 2.446 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000430216499 314505523 /nfs/dbraw/zinc/50/55/23/314505523.db2.gz FFTBFNKLNRQMCI-ZFWWWQNUSA-N 0 3 325.434 2.081 20 5 EEBDHN COC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417289 318187330 /nfs/dbraw/zinc/18/73/30/318187330.db2.gz SCBSHYVVKBQTJU-RISCZKNCSA-N 0 3 339.392 2.191 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000578375793 320310894 /nfs/dbraw/zinc/31/08/94/320310894.db2.gz HPKSWLQLDIGCDU-UONOGXRCSA-N 0 3 332.404 2.010 20 5 EEBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923271 465006817 /nfs/dbraw/zinc/00/68/17/465006817.db2.gz FLXALAMWBYMGNX-KGLIPLIRSA-N 0 3 334.420 2.338 20 5 EEBDHN CO[C@]1(C)C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036336 465059643 /nfs/dbraw/zinc/05/96/43/465059643.db2.gz FBIFNVCIUXELDF-WMLDXEAASA-N 0 3 335.404 2.351 20 5 EEBDHN COc1cc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688329 465169794 /nfs/dbraw/zinc/16/97/94/465169794.db2.gz VAPYDIMUHJFIKU-OCCSQVGLSA-N 0 3 347.371 2.089 20 5 EEBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)c1 ZINC000296455743 465200730 /nfs/dbraw/zinc/20/07/30/465200730.db2.gz JAWXDFYFJDWAJE-HNNXBMFYSA-N 0 3 331.376 2.417 20 5 EEBDHN CC(C)(C)CCN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341589839 465246454 /nfs/dbraw/zinc/24/64/54/465246454.db2.gz HVLVUTWTUDHQGK-UHFFFAOYSA-N 0 3 334.420 2.252 20 5 EEBDHN COc1ccc(CNC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000358710694 465278292 /nfs/dbraw/zinc/27/82/92/465278292.db2.gz BOAHEULJJJBTSW-UHFFFAOYSA-N 0 3 329.347 2.423 20 5 EEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000341951595 465278327 /nfs/dbraw/zinc/27/83/27/465278327.db2.gz VORCAODOJPUNFH-LBPRGKRZSA-N 0 3 343.449 2.302 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000060380202 462545233 /nfs/dbraw/zinc/54/52/33/462545233.db2.gz WAMQWUHNIQZMIW-CQSZACIVSA-N 0 3 348.447 2.483 20 5 EEBDHN Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739825 462629287 /nfs/dbraw/zinc/62/92/87/462629287.db2.gz MQCQLXIRYHLKJC-MRXNPFEDSA-N 0 3 342.399 2.129 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000090552105 462797821 /nfs/dbraw/zinc/79/78/21/462797821.db2.gz FAOVLSVTXUQIBO-CQSZACIVSA-N 0 3 331.347 2.385 20 5 EEBDHN C[C@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344438 462876799 /nfs/dbraw/zinc/87/67/99/462876799.db2.gz UXFCQHPAEAYNEW-WMLDXEAASA-N 0 3 348.447 2.188 20 5 EEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119280504 462886013 /nfs/dbraw/zinc/88/60/13/462886013.db2.gz RKBWMEJBDSXXRE-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN CC(C)(C)Oc1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000133505612 462940722 /nfs/dbraw/zinc/94/07/22/462940722.db2.gz KUIKVBXCOODXJO-UHFFFAOYSA-N 0 3 337.420 2.277 20 5 EEBDHN CC(C)CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119970356 462947224 /nfs/dbraw/zinc/94/72/24/462947224.db2.gz JYSRCWFBDYTIGE-DOTOQJQBSA-N 0 3 338.404 2.081 20 5 EEBDHN CC(=O)c1ccc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373325 462998413 /nfs/dbraw/zinc/99/84/13/462998413.db2.gz OLSLIXPGSZFGTP-OAHLLOKOSA-N 0 3 335.404 2.302 20 5 EEBDHN CCCNC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000050993940 463014604 /nfs/dbraw/zinc/01/46/04/463014604.db2.gz XQMDUVYHQFWCNM-AWEZNQCLSA-N 0 3 335.404 2.212 20 5 EEBDHN CCCCN(C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000156578829 463043383 /nfs/dbraw/zinc/04/33/83/463043383.db2.gz FBEUICFCHUAKGR-UHFFFAOYSA-N 0 3 345.403 2.242 20 5 EEBDHN COc1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712121 463169125 /nfs/dbraw/zinc/16/91/25/463169125.db2.gz FUHUAAOCLMQNHI-INIZCTEOSA-N 0 3 346.383 2.475 20 5 EEBDHN NC(=O)CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000121646415 463172120 /nfs/dbraw/zinc/17/21/20/463172120.db2.gz JLSWTYJURBFBNM-UHFFFAOYSA-N 0 3 343.383 2.351 20 5 EEBDHN CCN1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000158229786 463218048 /nfs/dbraw/zinc/21/80/48/463218048.db2.gz TTZKSGVYKFBXSZ-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000043893252 463661757 /nfs/dbraw/zinc/66/17/57/463661757.db2.gz HDXMKYNRVFMFIV-AWEZNQCLSA-N 0 3 349.435 2.038 20 5 EEBDHN Cc1cc(S(=O)(=O)NCCN(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000172015720 463969656 /nfs/dbraw/zinc/96/96/56/463969656.db2.gz RTHWBBCVZXAHRY-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN CC1(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000269657048 464050210 /nfs/dbraw/zinc/05/02/10/464050210.db2.gz OZHHFUKAYYZVNB-MRXNPFEDSA-N 0 3 336.388 2.103 20 5 EEBDHN CN1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172467229 464087191 /nfs/dbraw/zinc/08/71/91/464087191.db2.gz MOLQAQSPKBMFRS-UHFFFAOYSA-N 0 3 334.420 2.311 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000284458761 464200133 /nfs/dbraw/zinc/20/01/33/464200133.db2.gz RTOYBXYSNZNQAU-IAQYHMDHSA-N 0 3 333.388 2.206 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270532738 464259643 /nfs/dbraw/zinc/25/96/43/464259643.db2.gz VQANDKJFEVIVOQ-CHWSQXEVSA-N 0 3 343.836 2.366 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237751592 464374875 /nfs/dbraw/zinc/37/48/75/464374875.db2.gz TXWZMRSVTXYCLM-ZDUSSCGKSA-N 0 3 341.433 2.089 20 5 EEBDHN CN(CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000294391876 464487276 /nfs/dbraw/zinc/48/72/76/464487276.db2.gz DFIDAARWHOVSMI-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000281751607 464572120 /nfs/dbraw/zinc/57/21/20/464572120.db2.gz YPSYHJRBBWXNNW-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000272487228 464629080 /nfs/dbraw/zinc/62/90/80/464629080.db2.gz MRRDJBIJEWPWTB-ABAIWWIYSA-N 0 3 328.372 2.242 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000591144269 468415129 /nfs/dbraw/zinc/41/51/29/468415129.db2.gz DPRMRHNQWCOHOP-SJORKVTESA-N 0 3 342.399 2.178 20 5 EEBDHN COC(=O)Cc1ccc(N2CCN(C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295049628 464689791 /nfs/dbraw/zinc/68/97/91/464689791.db2.gz XYBOITNWYZHMGX-ZDUSSCGKSA-N 0 3 347.415 2.231 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373484 464896793 /nfs/dbraw/zinc/89/67/93/464896793.db2.gz YUKGZBYPIUXDJD-KCQAQPDRSA-N 0 3 335.404 2.371 20 5 EEBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875944 464993612 /nfs/dbraw/zinc/99/36/12/464993612.db2.gz FXYNOJNKURMVBW-CZUORRHYSA-N 0 3 338.404 2.081 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351903520 465431628 /nfs/dbraw/zinc/43/16/28/465431628.db2.gz XVEDXCVMTPRTEL-UHFFFAOYSA-N 0 3 343.449 2.222 20 5 EEBDHN CN1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000352089992 465474946 /nfs/dbraw/zinc/47/49/46/465474946.db2.gz TXVIHPVDVWKJPC-FZMZJTMJSA-N 0 3 329.360 2.175 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000554641042 468435205 /nfs/dbraw/zinc/43/52/05/468435205.db2.gz FNCRWOULHWLTJR-BBRMVZONSA-N 0 3 342.399 2.326 20 5 EEBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824293 465534288 /nfs/dbraw/zinc/53/42/88/465534288.db2.gz FKNUUSQBHZYHBW-RDJZCZTQSA-N 0 3 338.404 2.081 20 5 EEBDHN CCN1C[C@@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330552028 465702104 /nfs/dbraw/zinc/70/21/04/465702104.db2.gz FFCFMJJECBICPA-UONOGXRCSA-N 0 3 334.420 2.256 20 5 EEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1CO ZINC000594016744 468461116 /nfs/dbraw/zinc/46/11/16/468461116.db2.gz HATVGQCYCRYXIZ-CQSZACIVSA-N 0 3 349.387 2.130 20 5 EEBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301290807 465937601 /nfs/dbraw/zinc/93/76/01/465937601.db2.gz NPRICKDSESABLV-CQSZACIVSA-N 0 3 338.839 2.464 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170542 465958198 /nfs/dbraw/zinc/95/81/98/465958198.db2.gz AOILASFMYSFRSW-RWMBFGLXSA-N 0 3 349.435 2.244 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170542 465958206 /nfs/dbraw/zinc/95/82/06/465958206.db2.gz AOILASFMYSFRSW-RWMBFGLXSA-N 0 3 349.435 2.244 20 5 EEBDHN COc1cccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331229835 465989382 /nfs/dbraw/zinc/98/93/82/465989382.db2.gz POZFBPVVVUMCHB-LBPRGKRZSA-N 0 3 335.404 2.406 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC000366908196 466010240 /nfs/dbraw/zinc/01/02/40/466010240.db2.gz CRLANCWKUASBPT-RDJZCZTQSA-N 0 3 337.395 2.467 20 5 EEBDHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346249694 466028266 /nfs/dbraw/zinc/02/82/66/466028266.db2.gz XKRKEQOOVYECLO-GZBFAFLISA-N 0 3 347.415 2.406 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NCCCN3CCCCC3)n2)cc1 ZINC000362832009 466057857 /nfs/dbraw/zinc/05/78/57/466057857.db2.gz VOAWRGSNMMQBHR-UHFFFAOYSA-N 0 3 331.376 2.933 20 5 EEBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000361534245 466082584 /nfs/dbraw/zinc/08/25/84/466082584.db2.gz WSACCULKAZYDQY-HUUCEWRRSA-N 0 3 348.447 2.410 20 5 EEBDHN COC(=O)c1cnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761146 466179069 /nfs/dbraw/zinc/17/90/69/466179069.db2.gz KFZHVJPRMCWGLE-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836109 466264760 /nfs/dbraw/zinc/26/47/60/466264760.db2.gz BWPRFPPFKBCCBF-PVAVHDDUSA-N 0 3 338.379 2.486 20 5 EEBDHN CN1CCC2(CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000372436212 466379578 /nfs/dbraw/zinc/37/95/78/466379578.db2.gz RFQXGACLPPNIMP-UHFFFAOYSA-N 0 3 332.404 2.094 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000305772126 466458922 /nfs/dbraw/zinc/45/89/22/466458922.db2.gz KTHFIKQPINWCHI-CQSZACIVSA-N 0 3 336.779 2.085 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000347200002 466469893 /nfs/dbraw/zinc/46/98/93/466469893.db2.gz COAONOQRXIHOSA-ZDUSSCGKSA-N 0 3 335.404 2.467 20 5 EEBDHN Cc1cnc(NCc2ccncc2OCCN(C)C)c([N+](=O)[O-])c1 ZINC000341038601 466533871 /nfs/dbraw/zinc/53/38/71/466533871.db2.gz FHNISTFABJLGGW-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H](C)CCN2)c([N+](=O)[O-])c1 ZINC000423241495 466702730 /nfs/dbraw/zinc/70/27/30/466702730.db2.gz YACCGIDHCBMLTD-HIFRSBDPSA-N 0 3 334.420 2.210 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000412176172 467031874 /nfs/dbraw/zinc/03/18/74/467031874.db2.gz PTETZZNUEJOYRF-NYUZSIGZSA-N 0 3 329.400 2.440 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000412176180 467032573 /nfs/dbraw/zinc/03/25/73/467032573.db2.gz PTETZZNUEJOYRF-YCCRMZCTSA-N 0 3 329.400 2.440 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000377132152 467037390 /nfs/dbraw/zinc/03/73/90/467037390.db2.gz WPQUAAYOPGZPTG-OAGGEKHMSA-N 0 3 342.399 2.333 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412242365 467048530 /nfs/dbraw/zinc/04/85/30/467048530.db2.gz DCVORKRDGPLQKB-QMCVQRASSA-N 0 3 329.400 2.251 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413134015 467176124 /nfs/dbraw/zinc/17/61/24/467176124.db2.gz KOTQLTLJPVRLSA-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433836339 467357923 /nfs/dbraw/zinc/35/79/23/467357923.db2.gz NXWFKGWFVUTLST-NWDGAFQWSA-N 0 3 337.424 2.434 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434704757 467422818 /nfs/dbraw/zinc/42/28/18/467422818.db2.gz ZHDIUWMSSOSAPS-AXFHLTTASA-N 0 3 341.795 2.224 20 5 EEBDHN CNc1nc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454709283 467611136 /nfs/dbraw/zinc/61/11/36/467611136.db2.gz HKXGCERQVZQUBS-NEPJUHHUSA-N 0 3 335.408 2.024 20 5 EEBDHN CNc1nc(C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000455373276 467671775 /nfs/dbraw/zinc/67/17/75/467671775.db2.gz AYGKRVLCAHPPGR-CYBMUJFWSA-N 0 3 347.419 2.122 20 5 EEBDHN CCN1CCN([C@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450259421 467810701 /nfs/dbraw/zinc/81/07/01/467810701.db2.gz WMNPLEBERBSPOH-CQSZACIVSA-N 0 3 343.431 2.581 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[N+](=O)[O-] ZINC000493520740 467930426 /nfs/dbraw/zinc/93/04/26/467930426.db2.gz KFUCLXLMJHQDIK-NPQIQWPPSA-N 0 3 346.383 2.147 20 5 EEBDHN NC(=O)Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594525605 468616150 /nfs/dbraw/zinc/61/61/50/468616150.db2.gz WROFMUVATJDTHH-INIZCTEOSA-N 0 3 325.368 2.400 20 5 EEBDHN NCc1cccc2c1N(CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000600721134 468633695 /nfs/dbraw/zinc/63/36/95/468633695.db2.gz ANPZHDAZJFIOJJ-UHFFFAOYSA-N 0 3 340.383 2.445 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(C(C)(C)C)CC2)n1 ZINC000557546691 468634713 /nfs/dbraw/zinc/63/47/13/468634713.db2.gz WYXUPFABBCCCKU-UHFFFAOYSA-N 0 3 336.392 2.087 20 5 EEBDHN CC(C)(O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601110924 468744769 /nfs/dbraw/zinc/74/47/69/468744769.db2.gz LLOMDBNAJBNNCR-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CCO)C1CCOCC1 ZINC000595032602 468745915 /nfs/dbraw/zinc/74/59/15/468745915.db2.gz NTQWVEHKBLCERD-BLLLJJGKSA-N 0 3 338.404 2.432 20 5 EEBDHN CCCN1CC[C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598343186 468837610 /nfs/dbraw/zinc/83/76/10/468837610.db2.gz TYKCOCHIAVLUFW-CQSZACIVSA-N 0 3 335.404 2.273 20 5 EEBDHN CCCN1CC[C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598343184 468838087 /nfs/dbraw/zinc/83/80/87/468838087.db2.gz TYKCOCHIAVLUFW-AWEZNQCLSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386471 468857728 /nfs/dbraw/zinc/85/77/28/468857728.db2.gz GSVOFAXTNNKLKN-VBQJREDUSA-N 0 3 346.431 2.467 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595588172 468913758 /nfs/dbraw/zinc/91/37/58/468913758.db2.gz MIYFCAOIHRBHGD-INIZCTEOSA-N 0 3 338.379 2.391 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582606 469010346 /nfs/dbraw/zinc/01/03/46/469010346.db2.gz CTDFTLUQJQEPQJ-MRXNPFEDSA-N 0 3 326.360 2.019 20 5 EEBDHN CCCN1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000595804571 469019851 /nfs/dbraw/zinc/01/98/51/469019851.db2.gz ACOUPMYJQKLGRB-HNNXBMFYSA-N 0 3 334.420 2.263 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](N2CCOCC2)CC1 ZINC000585718500 469020334 /nfs/dbraw/zinc/02/03/34/469020334.db2.gz IWAGNYRSLNSGRF-INIZCTEOSA-N 0 3 349.431 2.160 20 5 EEBDHN O=C1CCCC12CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595806979 469020751 /nfs/dbraw/zinc/02/07/51/469020751.db2.gz NWNLDCPIRUNGEB-HNNXBMFYSA-N 0 3 348.399 2.170 20 5 EEBDHN O=[N+]([O-])c1ccc(CCNC[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000602731744 469038450 /nfs/dbraw/zinc/03/84/50/469038450.db2.gz AYWYFHPUUQAFPV-GFCCVEGCSA-N 0 3 329.282 2.122 20 5 EEBDHN CCN(CCOc1ccccc1OC)CCn1ccc([N+](=O)[O-])n1 ZINC000595878149 469058470 /nfs/dbraw/zinc/05/84/70/469058470.db2.gz KZIWGDAPDTZASZ-UHFFFAOYSA-N 0 3 334.376 2.201 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000602787013 469074358 /nfs/dbraw/zinc/07/43/58/469074358.db2.gz FWUQJVMGENWWNO-KRWDZBQOSA-N 0 3 344.415 2.433 20 5 EEBDHN COc1ccc(OCCN2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574033 469165074 /nfs/dbraw/zinc/16/50/74/469165074.db2.gz INNPFCLHAMHYNB-ZDUSSCGKSA-N 0 3 346.387 2.205 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611274776 469217960 /nfs/dbraw/zinc/21/79/60/469217960.db2.gz GABUIIPTAPJLLH-OLZOCXBDSA-N 0 3 334.372 2.224 20 5 EEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000603589940 469414657 /nfs/dbraw/zinc/41/46/57/469414657.db2.gz RDZHMEVCEBFVHW-UHFFFAOYSA-N 0 3 332.360 2.256 20 5 EEBDHN CC[C@H]1CN(C)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000619566955 469640899 /nfs/dbraw/zinc/64/08/99/469640899.db2.gz CQXGBNQKWAPGSI-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](N2CCCC2)C1 ZINC000608905679 469885985 /nfs/dbraw/zinc/88/59/85/469885985.db2.gz HSILLEJRAJPDAC-ZDUSSCGKSA-N 0 3 328.372 2.386 20 5 EEBDHN CCOC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000609766430 469959666 /nfs/dbraw/zinc/95/96/66/469959666.db2.gz NPWHHLDCBRFGLJ-UHFFFAOYSA-N 0 3 349.387 2.394 20 5 EEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594202831 485602852 /nfs/dbraw/zinc/60/28/52/485602852.db2.gz SKKAWRUVFIOXOA-KBPBESRZSA-N 0 3 333.388 2.107 20 5 EEBDHN Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174664985 533767123 /nfs/dbraw/zinc/76/71/23/533767123.db2.gz OEPXCSZIBKTOHI-NEPJUHHUSA-N 0 3 348.359 2.120 20 5 EEBDHN CCC1(CC)[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191359687 529094510 /nfs/dbraw/zinc/09/45/10/529094510.db2.gz DBJLIZIGXRYEID-GJZGRUSLSA-N 0 3 335.404 2.377 20 5 EEBDHN CCN(C[C@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738081065 577998754 /nfs/dbraw/zinc/99/87/54/577998754.db2.gz KEPKMSPFPGVUPA-CYBMUJFWSA-N 0 3 331.376 2.169 20 5 EEBDHN CC(C)[C@@H](CN(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000733165317 577206151 /nfs/dbraw/zinc/20/61/51/577206151.db2.gz BQIYKNCMPOAZFA-CQSZACIVSA-N 0 3 325.434 2.389 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000772275259 577261530 /nfs/dbraw/zinc/26/15/30/577261530.db2.gz CYFZDWHMUZSLDO-HNNXBMFYSA-N 0 3 347.415 2.276 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000743639568 577888268 /nfs/dbraw/zinc/88/82/68/577888268.db2.gz WGVBSLCZIZECLI-SKDRFNHKSA-N 0 3 336.348 2.024 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H](N4CC=CC4)C3)c2)cc1 ZINC000742161072 578128174 /nfs/dbraw/zinc/12/81/74/578128174.db2.gz FEHNBBCJEPQUDN-SFHVURJKSA-N 0 3 339.399 2.362 20 5 EEBDHN CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821189487 599378250 /nfs/dbraw/zinc/37/82/50/599378250.db2.gz MTAXYGAWBMTZGL-NSHDSACASA-N 0 3 348.411 2.092 20 5 EEBDHN CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821189487 599378252 /nfs/dbraw/zinc/37/82/52/599378252.db2.gz MTAXYGAWBMTZGL-NSHDSACASA-N 0 3 348.411 2.092 20 5 EEBDHN Cc1nc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001020507126 674965382 /nfs/dbraw/zinc/96/53/82/674965382.db2.gz JPXSSUWXPHFBPO-JOCQHMNTSA-N 0 3 346.412 2.410 20 5 EEBDHN CC1CCN(CC(=O)N(C)CCN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001105446633 1187198009 /nfs/dbraw/zinc/19/80/09/1187198009.db2.gz WUAGFODJJUMGMZ-UHFFFAOYSA-N 0 3 348.447 2.221 20 5 EEBDHN COc1ccc(F)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132096300 1199286234 /nfs/dbraw/zinc/28/62/34/1199286234.db2.gz DEMSCCPKRZCVLR-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN CCCCCn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813099718 1201096070 /nfs/dbraw/zinc/09/60/70/1201096070.db2.gz BDPIEUVBEDNQJK-GFCCVEGCSA-N 0 3 347.371 2.409 20 5 EEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[N+](=O)[O-] ZINC000813102426 1201097783 /nfs/dbraw/zinc/09/77/83/1201097783.db2.gz RJMOQWDDQRJHCY-OLZOCXBDSA-N 0 3 335.360 2.139 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095423911 1205736522 /nfs/dbraw/zinc/73/65/22/1205736522.db2.gz VYBDPYBIBSKGFS-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000935316172 1208131968 /nfs/dbraw/zinc/13/19/68/1208131968.db2.gz QLWDKLRBPBLNBS-AFAVFJNCSA-N 0 3 329.400 2.465 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000778608710 1208304743 /nfs/dbraw/zinc/30/47/43/1208304743.db2.gz DJCOGFWXIOOFFC-UHFFFAOYSA-N 0 3 338.408 2.296 20 5 EEBDHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1[O-] ZINC001019991929 1229432867 /nfs/dbraw/zinc/43/28/67/1229432867.db2.gz MIMLFBZXJUUORL-HDJSIYSDSA-N 0 3 341.367 2.351 20 5 EEBDHN O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001216482690 1297187920 /nfs/dbraw/zinc/18/79/20/1297187920.db2.gz LCOPIYNAGNOXCJ-UHFFFAOYSA-N 0 3 341.302 2.492 20 5 EEBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H](N)CC(F)F ZINC001218860004 1297839726 /nfs/dbraw/zinc/83/97/26/1297839726.db2.gz RPSQSIOBYFAWJM-VIFPVBQESA-N 0 3 331.326 2.286 20 5 EEBDHN CC(C)OCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234188575 1304788041 /nfs/dbraw/zinc/78/80/41/1304788041.db2.gz GMJARTCYIMFUQS-UHFFFAOYSA-N 0 3 337.420 2.348 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843474298 1315920191 /nfs/dbraw/zinc/92/01/91/1315920191.db2.gz WWVIWKOOUMYNHE-DTWKUNHWSA-N 0 3 329.759 2.139 20 5 EEBDHN C[C@H]1NCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000843474297 1315920259 /nfs/dbraw/zinc/92/02/59/1315920259.db2.gz WWVIWKOOUMYNHE-BDAKNGLRSA-N 0 3 329.759 2.139 20 5 EEBDHN O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001154759077 1317299977 /nfs/dbraw/zinc/29/99/77/1317299977.db2.gz LRFYVENRAGQCIF-UHFFFAOYSA-N 0 3 329.356 2.210 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CO)c3ccccn3)CC2)cc1 ZINC001254469708 1318082230 /nfs/dbraw/zinc/08/22/30/1318082230.db2.gz XSLZQSHWHRGNLF-SFHVURJKSA-N 0 3 342.399 2.282 20 5 EEBDHN Cc1nccnc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470513 1318082333 /nfs/dbraw/zinc/08/23/33/1318082333.db2.gz QGVUZAAKYBOLHP-UHFFFAOYSA-N 0 3 327.388 2.452 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)cn1 ZINC001254532323 1318112934 /nfs/dbraw/zinc/11/29/34/1318112934.db2.gz MUEBNFWDRJMTHN-LBPRGKRZSA-N 0 3 349.412 2.114 20 5 EEBDHN CCNC(=O)OC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607659 1318142888 /nfs/dbraw/zinc/14/28/88/1318142888.db2.gz LQUQFFNJPUFMPM-OAHLLOKOSA-N 0 3 333.388 2.273 20 5 EEBDHN COc1cc(N2CCC(NCc3ccn(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001256086746 1318644065 /nfs/dbraw/zinc/64/40/65/1318644065.db2.gz CUOOHFTXDUOJPU-UHFFFAOYSA-N 0 3 345.403 2.096 20 5 EEBDHN c1cnc2c(c1)cc(NCc1nnn3c1CNCCC3)c1cccnc12 ZINC001162977609 1321003308 /nfs/dbraw/zinc/00/33/08/1321003308.db2.gz LQUHEWCBQLRPNY-UHFFFAOYSA-N 0 3 345.410 2.480 20 5 EEBDHN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165270048 1321487688 /nfs/dbraw/zinc/48/76/88/1321487688.db2.gz VSWXPJLVQDLXDN-STQMWFEESA-N 0 3 348.790 2.364 20 5 EEBDHN CCCC(CCC)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001165310215 1321498763 /nfs/dbraw/zinc/49/87/63/1321498763.db2.gz RWCATENMELJQJC-UHFFFAOYSA-N 0 3 339.440 2.141 20 5 EEBDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001326199413 1334042105 /nfs/dbraw/zinc/04/21/05/1334042105.db2.gz IWFBJXJGEFNYCI-MRXNPFEDSA-N 0 3 335.404 2.055 20 5 EEBDHN CCN(CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1CC1 ZINC001334142884 1336211865 /nfs/dbraw/zinc/21/18/65/1336211865.db2.gz VIOFBKJZETXIGK-UHFFFAOYSA-N 0 3 330.388 2.343 20 5 EEBDHN CC(C)N(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001125527322 759806348 /nfs/dbraw/zinc/80/63/48/759806348.db2.gz JBWWCWDUPZQPJJ-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN Cc1ccc(NC/C=C\CNC(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001107201080 786370963 /nfs/dbraw/zinc/37/09/63/786370963.db2.gz JETCFBNPAXGFNO-IHWYPQMZSA-N 0 3 332.404 2.083 20 5 EEBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000910287570 786619856 /nfs/dbraw/zinc/61/98/56/786619856.db2.gz LHVARBZRPZBQAV-GFCCVEGCSA-N 0 3 339.367 2.055 20 5 EEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000910291340 786651440 /nfs/dbraw/zinc/65/14/40/786651440.db2.gz CWFRZJUKUKAGCT-ZDUSSCGKSA-N 0 3 334.420 2.217 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847153 788336426 /nfs/dbraw/zinc/33/64/26/788336426.db2.gz WQTFYKHHTGISLI-HOCLYGCPSA-N 0 3 335.360 2.390 20 5 EEBDHN Cc1cc(NCCNC(=O)C(C)(C)N2CCCCC2)ncc1[N+](=O)[O-] ZINC001093889324 795767918 /nfs/dbraw/zinc/76/79/18/795767918.db2.gz ZUYGNCLHBCBRTI-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)on1 ZINC001086024091 801963897 /nfs/dbraw/zinc/96/38/97/801963897.db2.gz BZPGSGIOTVALFK-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN CC[C@@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993043 1120253282 /nfs/dbraw/zinc/25/32/82/1120253282.db2.gz GGRFRIKOZLVQBC-KGLIPLIRSA-N 0 3 338.456 2.192 20 5 EEBDHN CCc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171911401 529467678 /nfs/dbraw/zinc/46/76/78/529467678.db2.gz OWBWYGMTEOFYRB-LBPRGKRZSA-N 0 3 347.375 2.040 20 5 EEBDHN CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000178151183 529891649 /nfs/dbraw/zinc/89/16/49/529891649.db2.gz XFHBMEHBTJMAON-UHFFFAOYSA-N 0 3 342.399 2.429 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000445896404 242141395 /nfs/dbraw/zinc/14/13/95/242141395.db2.gz HZUSSOOEKUTQEK-WFASDCNBSA-N 0 3 332.404 2.145 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCCN2CCOC3(CCOCC3)C2)cc1 ZINC000135634721 223596820 /nfs/dbraw/zinc/59/68/20/223596820.db2.gz RFNZPKSYRODEFA-UHFFFAOYSA-N 0 3 336.388 2.245 20 5 EEBDHN CN(C)C/C=C\C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000493783227 246804458 /nfs/dbraw/zinc/80/44/58/246804458.db2.gz HHBAKJQYGDOSBS-ARJAWSKDSA-N 0 3 328.166 2.414 20 5 EEBDHN C[C@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000266316889 248243534 /nfs/dbraw/zinc/24/35/34/248243534.db2.gz FBKXPIVTCCPCEP-STQMWFEESA-N 0 3 330.388 2.034 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000093817432 218253042 /nfs/dbraw/zinc/25/30/42/218253042.db2.gz XTCLUBNPTCDQMB-WMHVBEDNSA-N 0 3 331.416 2.262 20 5 EEBDHN CC[C@@H](C)[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380962 220316231 /nfs/dbraw/zinc/31/62/31/220316231.db2.gz RMPFMWVJEAZMEB-WBMJQRKESA-N 0 3 332.404 2.492 20 5 EEBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000271753463 256240515 /nfs/dbraw/zinc/24/05/15/256240515.db2.gz CHFIXTCBQHUHBG-UHFFFAOYSA-N 0 3 327.182 2.426 20 5 EEBDHN CCOc1cccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000273872897 256334282 /nfs/dbraw/zinc/33/42/82/256334282.db2.gz OYDOTWVCTRHZNE-TZMCWYRMSA-N 0 3 325.434 2.475 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000273441209 256297180 /nfs/dbraw/zinc/29/71/80/256297180.db2.gz ZQEGERHQDSKHKN-LBPRGKRZSA-N 0 3 331.376 2.316 20 5 EEBDHN C[C@@H](C(=O)Nc1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000359494059 153397363 /nfs/dbraw/zinc/39/73/63/153397363.db2.gz FDOIKQVTKUSGQM-LLVKDONJSA-N 0 3 349.366 2.234 20 5 EEBDHN COC[C@@H]1CCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342705231 161084429 /nfs/dbraw/zinc/08/44/29/161084429.db2.gz TVTWSIKGTULXJN-PBHICJAKSA-N 0 3 347.415 2.449 20 5 EEBDHN Cn1ccnc1[C@@H]1OCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000343380243 161130271 /nfs/dbraw/zinc/13/02/71/161130271.db2.gz ASLFWHFAIKLBJJ-UKWDMRDTSA-N 0 3 328.372 2.461 20 5 EEBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346420572 161371117 /nfs/dbraw/zinc/37/11/17/161371117.db2.gz MSYDWVAGZJXYSG-UHFFFAOYSA-N 0 3 328.800 2.190 20 5 EEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352803242 162293921 /nfs/dbraw/zinc/29/39/21/162293921.db2.gz YGDXLWGCBKHDCT-GXFFZTMASA-N 0 3 339.417 2.273 20 5 EEBDHN O=C(CCN1CC[C@H](COC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000353019333 162393918 /nfs/dbraw/zinc/39/39/18/162393918.db2.gz GGWQKHXEQNOASV-NSHDSACASA-N 0 3 343.330 2.485 20 5 EEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736098 163285842 /nfs/dbraw/zinc/28/58/42/163285842.db2.gz WCTMRHSFUMYWTI-ZWNOBZJWSA-N 0 3 348.334 2.388 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375468975 167141330 /nfs/dbraw/zinc/14/13/30/167141330.db2.gz GRPZYSSHXKHYQC-SJORKVTESA-N 0 3 349.431 2.336 20 5 EEBDHN CN(CCCN1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122687823 222137623 /nfs/dbraw/zinc/13/76/23/222137623.db2.gz WSVGLLYKGZUYAY-UHFFFAOYSA-N 0 3 340.855 2.318 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277367527 269151136 /nfs/dbraw/zinc/15/11/36/269151136.db2.gz HKANTKYRFRLRST-KRWDZBQOSA-N 0 3 346.431 2.453 20 5 EEBDHN Cc1cccc(CC2(O)CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000280340529 269353604 /nfs/dbraw/zinc/35/36/04/269353604.db2.gz IHBPIDJXKMIRKM-UHFFFAOYSA-N 0 3 344.415 2.169 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824228 269392532 /nfs/dbraw/zinc/39/25/32/269392532.db2.gz KHCNTJCVNUIDJY-DGCLKSJQSA-N 0 3 341.358 2.277 20 5 EEBDHN CN1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292150480 275384817 /nfs/dbraw/zinc/38/48/17/275384817.db2.gz CFYIACCFYZSVCP-KRWDZBQOSA-N 0 3 330.388 2.012 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000338697404 277938178 /nfs/dbraw/zinc/93/81/78/277938178.db2.gz XLGGIYBOPDRKBW-GDBMZVCRSA-N 0 3 348.447 2.066 20 5 EEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520812 279115536 /nfs/dbraw/zinc/11/55/36/279115536.db2.gz XINYDKVKIDVESZ-DGCLKSJQSA-N 0 3 347.371 2.022 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175087015 302049753 /nfs/dbraw/zinc/04/97/53/302049753.db2.gz ZJLQIWBUVKUPQJ-QWHCGFSZSA-N 0 3 341.433 2.054 20 5 EEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000192028456 303393530 /nfs/dbraw/zinc/39/35/30/303393530.db2.gz YSJDGCZVARUDDT-LLVKDONJSA-N 0 3 347.824 2.044 20 5 EEBDHN COc1cccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332093959 311948383 /nfs/dbraw/zinc/94/83/83/311948383.db2.gz WNEZUCVZNFCEID-CHWSQXEVSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415489155 313130243 /nfs/dbraw/zinc/13/02/43/313130243.db2.gz WOGHQWOJDISWLG-DGCLKSJQSA-N 0 3 336.392 2.446 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)S(C)(=O)=O ZINC000539041422 318050737 /nfs/dbraw/zinc/05/07/37/318050737.db2.gz NCUWAJMYTDRWHG-VXGBXAGGSA-N 0 3 346.474 2.488 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000543840284 318175475 /nfs/dbraw/zinc/17/54/75/318175475.db2.gz RRBAJVFGHSVBNY-CQSZACIVSA-N 0 3 335.404 2.373 20 5 EEBDHN COc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000575356057 320102720 /nfs/dbraw/zinc/10/27/20/320102720.db2.gz ULOYIXZVNMOYQR-HNNXBMFYSA-N 0 3 346.383 2.441 20 5 EEBDHN CNc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581684660 324302914 /nfs/dbraw/zinc/30/29/14/324302914.db2.gz XGBTTYXPOYHYQK-DVOMOZLQSA-N 0 3 346.431 2.439 20 5 EEBDHN Cc1c(CNC(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358549646 465187343 /nfs/dbraw/zinc/18/73/43/465187343.db2.gz ZHIHERJCWMQRRU-ZDUSSCGKSA-N 0 3 334.420 2.434 20 5 EEBDHN Cc1c(CNC(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358563160 465193642 /nfs/dbraw/zinc/19/36/42/465193642.db2.gz PUFIJEQNZRYCCV-UHFFFAOYSA-N 0 3 334.420 2.434 20 5 EEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC000496482535 468277151 /nfs/dbraw/zinc/27/71/51/468277151.db2.gz UXLPMKCZFSNRDZ-TUAOUCFPSA-N 0 3 332.397 2.380 20 5 EEBDHN CCN(C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112926545 462555849 /nfs/dbraw/zinc/55/58/49/462555849.db2.gz NWJIDDVTDJSKQS-SNVBAGLBSA-N 0 3 329.784 2.083 20 5 EEBDHN O=C(CCN1CCN(C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045768858 462616174 /nfs/dbraw/zinc/61/61/74/462616174.db2.gz FGKQIOKYUDSEAW-UHFFFAOYSA-N 0 3 346.431 2.484 20 5 EEBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000064995123 462731975 /nfs/dbraw/zinc/73/19/75/462731975.db2.gz ASHMTOFZPSHGCV-CZUORRHYSA-N 0 3 349.431 2.266 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCN1CCCCC1 ZINC000065867515 462834959 /nfs/dbraw/zinc/83/49/59/462834959.db2.gz PLIAVLMJVALGDP-UHFFFAOYSA-N 0 3 330.388 2.152 20 5 EEBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000068261409 463113166 /nfs/dbraw/zinc/11/31/66/463113166.db2.gz HCOKJCWUNICJED-UHFFFAOYSA-N 0 3 337.424 2.265 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000078494583 463122078 /nfs/dbraw/zinc/12/20/78/463122078.db2.gz JYFKXRKOGNTMLD-SFHVURJKSA-N 0 3 327.384 2.426 20 5 EEBDHN CN(CC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080118347 463284838 /nfs/dbraw/zinc/28/48/38/463284838.db2.gz KHTGSFCZOBLRSK-OAHLLOKOSA-N 0 3 346.431 2.118 20 5 EEBDHN CN1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346280 463599369 /nfs/dbraw/zinc/59/93/69/463599369.db2.gz IWXXOUHUTUZSLB-CQSZACIVSA-N 0 3 334.420 2.245 20 5 EEBDHN Nc1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000286872577 463729557 /nfs/dbraw/zinc/72/95/57/463729557.db2.gz NOXAKXUKYXQVMB-MRXNPFEDSA-N 0 3 342.399 2.356 20 5 EEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000261723533 463840913 /nfs/dbraw/zinc/84/09/13/463840913.db2.gz QYBMLYBACIRLTD-QGZVFWFLSA-N 0 3 325.368 2.141 20 5 EEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CCN(C)CC1 ZINC000269347639 463961118 /nfs/dbraw/zinc/96/11/18/463961118.db2.gz IQGQPHYDTFCETH-UHFFFAOYSA-N 0 3 325.340 2.417 20 5 EEBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153695 464045649 /nfs/dbraw/zinc/04/56/49/464045649.db2.gz ASWVAVPVRYFUFU-GWCFXTLKSA-N 0 3 341.795 2.327 20 5 EEBDHN Cc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907303 464125195 /nfs/dbraw/zinc/12/51/95/464125195.db2.gz HHCUQLHARSYNEL-FUHWJXTLSA-N 0 3 330.384 2.477 20 5 EEBDHN CC(C)C(=O)NC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263700485 464158771 /nfs/dbraw/zinc/15/87/71/464158771.db2.gz IMJXICNVWVMMFE-OAHLLOKOSA-N 0 3 349.431 2.458 20 5 EEBDHN O=C1CCCN1[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270915631 464270081 /nfs/dbraw/zinc/27/00/81/464270081.db2.gz OLAXLPNPMMMKMW-HNNXBMFYSA-N 0 3 333.388 2.060 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180548455 464335384 /nfs/dbraw/zinc/33/53/84/464335384.db2.gz VWTVHWDLEKVPRK-SECBINFHSA-N 0 3 342.193 2.181 20 5 EEBDHN CN1CCCC(C)(C)[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000343054820 465473513 /nfs/dbraw/zinc/47/35/13/465473513.db2.gz PYTPODLEHUZWPM-CQSZACIVSA-N 0 3 345.403 2.776 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272223013 464524968 /nfs/dbraw/zinc/52/49/68/464524968.db2.gz AHEWJEBPOWKBAL-NSHDSACASA-N 0 3 349.387 2.126 20 5 EEBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000285517077 464593449 /nfs/dbraw/zinc/59/34/49/464593449.db2.gz NYPKIDKXSRINDL-OAHLLOKOSA-N 0 3 332.404 2.365 20 5 EEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664019 464648301 /nfs/dbraw/zinc/64/83/01/464648301.db2.gz FMKGQGGBTLDUHI-KBPBESRZSA-N 0 3 333.388 2.059 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176524451 464793286 /nfs/dbraw/zinc/79/32/86/464793286.db2.gz ZBVPYDJOGCSSQG-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295416680 464824004 /nfs/dbraw/zinc/82/40/04/464824004.db2.gz UUMQWALNTZSDPR-GOSISDBHSA-N 0 3 345.399 2.112 20 5 EEBDHN CNC(=O)c1ccc(N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286461722 464925970 /nfs/dbraw/zinc/92/59/70/464925970.db2.gz VADXQWZCQCWJFT-TZMCWYRMSA-N 0 3 332.404 2.017 20 5 EEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184486034 464982910 /nfs/dbraw/zinc/98/29/10/464982910.db2.gz YKOWXLFCILDNGR-UHFFFAOYSA-N 0 3 348.428 2.443 20 5 EEBDHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986097 468429039 /nfs/dbraw/zinc/42/90/39/468429039.db2.gz NTEGGAQMXDVXNO-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN N[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275508 468435493 /nfs/dbraw/zinc/43/54/93/468435493.db2.gz NPYRKLLHKMLFLA-CQSZACIVSA-N 0 3 329.356 2.156 20 5 EEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000362543729 465818701 /nfs/dbraw/zinc/81/87/01/465818701.db2.gz VYZTXJLXDYGFMP-CXAGYDPISA-N 0 3 346.431 2.391 20 5 EEBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301260090 465931713 /nfs/dbraw/zinc/93/17/13/465931713.db2.gz FVZOIKKRWHRJOZ-LBPRGKRZSA-N 0 3 328.800 2.148 20 5 EEBDHN CN(C[C@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118021 465980380 /nfs/dbraw/zinc/98/03/80/465980380.db2.gz AYQSMNDCVAMPGY-CJNGLKHVSA-N 0 3 343.387 2.083 20 5 EEBDHN Cc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019737 466080045 /nfs/dbraw/zinc/08/00/45/466080045.db2.gz NGZXOBHGDCLBHT-ZIAGYGMSSA-N 0 3 344.415 2.343 20 5 EEBDHN CCN1CCN([C@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302419303 466138224 /nfs/dbraw/zinc/13/82/24/466138224.db2.gz ILOMWEWDLGFJMO-CYBMUJFWSA-N 0 3 333.436 2.001 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000346798007 466161084 /nfs/dbraw/zinc/16/10/84/466161084.db2.gz PDNIGLBZVDBVQS-DZGCQCFKSA-N 0 3 340.445 2.473 20 5 EEBDHN Cc1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049628 466194645 /nfs/dbraw/zinc/19/46/45/466194645.db2.gz OCWZDUDPFRXXPW-IRXDYDNUSA-N 0 3 330.388 2.298 20 5 EEBDHN CC1(C)CCCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000331711249 466209693 /nfs/dbraw/zinc/20/96/93/466209693.db2.gz KYISTRYLAGQLRV-UHFFFAOYSA-N 0 3 345.403 2.323 20 5 EEBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000372592472 466492141 /nfs/dbraw/zinc/49/21/41/466492141.db2.gz UTWRULXXYICCRL-PIIMJCKOSA-N 0 3 337.379 2.455 20 5 EEBDHN CN1CC[C@@](O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152505 466498616 /nfs/dbraw/zinc/49/86/16/466498616.db2.gz CIBVSLDCLRSLKS-QGZVFWFLSA-N 0 3 331.372 2.011 20 5 EEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347250438 466508982 /nfs/dbraw/zinc/50/89/82/466508982.db2.gz NWJDTAADTTYYAA-GXTWGEPZSA-N 0 3 328.372 2.488 20 5 EEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000341082808 466569167 /nfs/dbraw/zinc/56/91/67/466569167.db2.gz AEPFHBFTDYRJKC-INIZCTEOSA-N 0 3 332.404 2.365 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCNCC1(C)C ZINC000591678132 468500954 /nfs/dbraw/zinc/50/09/54/468500954.db2.gz KEVSUSHATUZAOY-JTQLQIEISA-N 0 3 341.795 2.226 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673373 468501183 /nfs/dbraw/zinc/50/11/83/468501183.db2.gz RTQVQONZPFTKKF-PWSUYJOCSA-N 0 3 327.331 2.325 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000363919329 466654114 /nfs/dbraw/zinc/65/41/14/466654114.db2.gz JNUMFWSATWJOQW-HNNXBMFYSA-N 0 3 336.411 2.339 20 5 EEBDHN Cc1cc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)ccc1[N+](=O)[O-] ZINC000373247671 466742400 /nfs/dbraw/zinc/74/24/00/466742400.db2.gz RYWRZDGCUSUECU-UHFFFAOYSA-N 0 3 343.387 2.619 20 5 EEBDHN CCc1ccc([C@@H](NC[C@H]2CNCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580225 466777473 /nfs/dbraw/zinc/77/74/73/466777473.db2.gz XKVPUZHCZAHKFQ-AEFFLSMTSA-N 0 3 345.399 2.418 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000411765270 466896243 /nfs/dbraw/zinc/89/62/43/466896243.db2.gz JJGVHIJYWUYQJR-QGZVFWFLSA-N 0 3 349.387 2.187 20 5 EEBDHN CCc1ccccc1[C@@H](N)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423973556 466933676 /nfs/dbraw/zinc/93/36/76/466933676.db2.gz JWNKMVVXNIFIIZ-KRWDZBQOSA-N 0 3 343.383 2.352 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412005264 466966095 /nfs/dbraw/zinc/96/60/95/466966095.db2.gz FKGUCPUFTNCNKV-DLBZAZTESA-N 0 3 331.416 2.499 20 5 EEBDHN Cc1nn(C)c(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000370736914 466984393 /nfs/dbraw/zinc/98/43/93/466984393.db2.gz BTQZPXGZXKDWEK-FICVDOATSA-N 0 3 327.388 2.179 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](N2CCCC2)C1 ZINC000377595660 467093405 /nfs/dbraw/zinc/09/34/05/467093405.db2.gz QPBKBNIXZALVKO-CYBMUJFWSA-N 0 3 333.388 2.364 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413158975 467180770 /nfs/dbraw/zinc/18/07/70/467180770.db2.gz WOVKQRMKODHCSA-KRWDZBQOSA-N 0 3 346.362 2.178 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000451080275 467242007 /nfs/dbraw/zinc/24/20/07/467242007.db2.gz BNFNLKVTDGKDKQ-UONOGXRCSA-N 0 3 346.431 2.338 20 5 EEBDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314172 467324139 /nfs/dbraw/zinc/32/41/39/467324139.db2.gz HPEOKAOWWGBOAH-RISCZKNCSA-N 0 3 341.367 2.384 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420368442 467381612 /nfs/dbraw/zinc/38/16/12/467381612.db2.gz AQTLLYRSYKFCNN-XJKSGUPXSA-N 0 3 344.419 2.352 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])c1C ZINC000431014533 467487285 /nfs/dbraw/zinc/48/72/85/467487285.db2.gz KDCQRURGUFVOPO-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN CNc1nc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454709292 467611253 /nfs/dbraw/zinc/61/12/53/467611253.db2.gz HKXGCERQVZQUBS-RYUDHWBXSA-N 0 3 335.408 2.024 20 5 EEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000449388185 467635907 /nfs/dbraw/zinc/63/59/07/467635907.db2.gz OLMJEGBEKCJEDT-AWEZNQCLSA-N 0 3 327.812 2.185 20 5 EEBDHN C[C@H]1[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1C ZINC000450573315 467872259 /nfs/dbraw/zinc/87/22/59/467872259.db2.gz WYRKXXGYFHXNHC-RYUDHWBXSA-N 0 3 343.387 2.150 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690140 467964821 /nfs/dbraw/zinc/96/48/21/467964821.db2.gz YQZAUMCCHXFPGZ-NUTKFTJISA-N 0 3 335.404 2.371 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000488001882 468066140 /nfs/dbraw/zinc/06/61/40/468066140.db2.gz VQCLVVPWMWDKNG-HNNXBMFYSA-N 0 3 334.420 2.114 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000548889068 468153892 /nfs/dbraw/zinc/15/38/92/468153892.db2.gz KUPPNPWVGBLBBC-HNNXBMFYSA-N 0 3 334.420 2.121 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000533194349 468178371 /nfs/dbraw/zinc/17/83/71/468178371.db2.gz ORIYTENOIUIYNQ-HIFRSBDPSA-N 0 3 332.404 2.193 20 5 EEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534517929 468261017 /nfs/dbraw/zinc/26/10/17/468261017.db2.gz RSKSRHKJNLWJEZ-CZUORRHYSA-N 0 3 346.431 2.391 20 5 EEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594234478 468523906 /nfs/dbraw/zinc/52/39/06/468523906.db2.gz XJHQUKMSTKJFIM-RDJZCZTQSA-N 0 3 346.431 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(NC3CCN([C@@H]4CCOC4)CC3)c2c1 ZINC000601131598 468755420 /nfs/dbraw/zinc/75/54/20/468755420.db2.gz NEXMOUOOXRHQOW-OAHLLOKOSA-N 0 3 342.399 2.230 20 5 EEBDHN CC(C)[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182735 468816192 /nfs/dbraw/zinc/81/61/92/468816192.db2.gz JMIPZOCSYLXFLR-RDJZCZTQSA-N 0 3 347.415 2.055 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN1CCCCC1 ZINC000593111052 468874822 /nfs/dbraw/zinc/87/48/22/468874822.db2.gz BYYZJPGDPPEMRD-AWEZNQCLSA-N 0 3 334.420 2.340 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC1=CCCOC1 ZINC000595754571 468991059 /nfs/dbraw/zinc/99/10/59/468991059.db2.gz XXXDQIAEZYJSTO-UHFFFAOYSA-N 0 3 349.387 2.211 20 5 EEBDHN CC(C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCO ZINC000602663079 468995449 /nfs/dbraw/zinc/99/54/49/468995449.db2.gz IBIHIFGBVQEFPE-UHFFFAOYSA-N 0 3 336.310 2.491 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@H]1CCc2ccccc21 ZINC000602777771 469067216 /nfs/dbraw/zinc/06/72/16/469067216.db2.gz LKXMDXQHGABSQD-INIZCTEOSA-N 0 3 330.388 2.082 20 5 EEBDHN COc1cc(NCCCN2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000596088194 469148817 /nfs/dbraw/zinc/14/88/17/469148817.db2.gz ZWGUGSPEGVPWMP-UHFFFAOYSA-N 0 3 327.356 2.001 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CCN(C2CC2)C1 ZINC000596091928 469151818 /nfs/dbraw/zinc/15/18/18/469151818.db2.gz PUUIMQWFRGGFCJ-NSHDSACASA-N 0 3 328.372 2.222 20 5 EEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611155062 469176094 /nfs/dbraw/zinc/17/60/94/469176094.db2.gz SYSMPWOMAWSXNC-HNNXBMFYSA-N 0 3 334.420 2.311 20 5 EEBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000596152725 469176426 /nfs/dbraw/zinc/17/64/26/469176426.db2.gz NYXLLJABZMFSBJ-ZDUSSCGKSA-N 0 3 335.795 2.940 20 5 EEBDHN CC(C)N1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249339 469208304 /nfs/dbraw/zinc/20/83/04/469208304.db2.gz NKLYTMFQCQPAMS-UHFFFAOYSA-N 0 3 335.404 2.282 20 5 EEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCCOc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000599628818 469315371 /nfs/dbraw/zinc/31/53/71/469315371.db2.gz HRPWHVKUDZCCQX-DYVFJYSZSA-N 0 3 345.355 2.194 20 5 EEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878656 469333303 /nfs/dbraw/zinc/33/33/03/469333303.db2.gz FTUNTLGLNJKCDC-BETUJISGSA-N 0 3 333.388 2.057 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)c(Br)c1 ZINC000603418655 469389181 /nfs/dbraw/zinc/38/91/81/469389181.db2.gz IRFMDQKYBWIMGE-MRVPVSSYSA-N 0 3 332.223 2.474 20 5 EEBDHN COc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603847984 469436031 /nfs/dbraw/zinc/43/60/31/469436031.db2.gz IQXJCXOKRAIDMC-INIZCTEOSA-N 0 3 349.431 2.290 20 5 EEBDHN Cc1c(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940773 533913274 /nfs/dbraw/zinc/91/32/74/533913274.db2.gz VQPHNMBABQJZCX-CYBMUJFWSA-N 0 3 349.435 2.051 20 5 EEBDHN CCC(C)(C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000733996653 577268926 /nfs/dbraw/zinc/26/89/26/577268926.db2.gz NRKVYMLHUALDSM-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CCOC(=O)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579787 577463048 /nfs/dbraw/zinc/46/30/48/577463048.db2.gz QKBYTDRRRZWZBZ-MRXNPFEDSA-N 0 3 336.388 2.293 20 5 EEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2c1cnn2C ZINC000776591689 577463750 /nfs/dbraw/zinc/46/37/50/577463750.db2.gz UGLJOGORCSHARQ-WBVHZDCISA-N 0 3 330.388 2.371 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000744798902 577903201 /nfs/dbraw/zinc/90/32/01/577903201.db2.gz QYEXWVLTOBQDNP-CQSZACIVSA-N 0 3 346.431 2.267 20 5 EEBDHN Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021821210 676500703 /nfs/dbraw/zinc/50/07/03/676500703.db2.gz HEYRZKRFRMGFMM-OKILXGFUSA-N 0 3 344.371 2.250 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccccc1O ZINC001021843703 676518291 /nfs/dbraw/zinc/51/82/91/676518291.db2.gz VYNWMZJRMMPPKM-TXEJJXNPSA-N 0 3 347.396 2.413 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000180399992 681995848 /nfs/dbraw/zinc/99/58/48/681995848.db2.gz USZXSVHIUNGIJR-NSHDSACASA-N 0 3 332.316 2.016 20 5 EEBDHN C[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020261 683570626 /nfs/dbraw/zinc/57/06/26/683570626.db2.gz OYYNJHVQGJJAEC-QWHCGFSZSA-N 0 3 332.404 2.234 20 5 EEBDHN C[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020260 683571031 /nfs/dbraw/zinc/57/10/31/683571031.db2.gz OYYNJHVQGJJAEC-OLZOCXBDSA-N 0 3 332.404 2.234 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001133035771 1200338588 /nfs/dbraw/zinc/33/85/88/1200338588.db2.gz BBBHGRPCWKISQJ-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN CC(COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[N+](=O)[O-] ZINC000813112282 1201123476 /nfs/dbraw/zinc/12/34/76/1201123476.db2.gz OWYJYALJODYDHM-HQJQHLMTSA-N 0 3 344.776 2.351 20 5 EEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000866336287 1201495628 /nfs/dbraw/zinc/49/56/28/1201495628.db2.gz PDLMXLWZHYQWPF-SMDDNHRTSA-N 0 3 344.408 2.222 20 5 EEBDHN Cc1ccn(C)c1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020105725 1229486715 /nfs/dbraw/zinc/48/67/15/1229486715.db2.gz IYNBJQLECARYQZ-SHTZXODSSA-N 0 3 342.399 2.292 20 5 EEBDHN CCCN(C)CC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096111388 1234961597 /nfs/dbraw/zinc/96/15/97/1234961597.db2.gz AHTVMZMRMGXEPK-UHFFFAOYSA-N 0 3 348.447 2.364 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097078433 1243673571 /nfs/dbraw/zinc/67/35/71/1243673571.db2.gz ODESLOUTBWHLRQ-JOCQHMNTSA-N 0 3 334.420 2.384 20 5 EEBDHN CC(COC(=O)c1cc(Br)cc2c1OCCO2)[N+](=O)[O-] ZINC000851037602 1277447947 /nfs/dbraw/zinc/44/79/47/1277447947.db2.gz XTAZAESHFCJMBV-SSDOTTSWSA-N 0 3 346.133 2.042 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000853232262 1292335005 /nfs/dbraw/zinc/33/50/05/1292335005.db2.gz XORQIIIULJKITB-LLVKDONJSA-N 0 3 332.360 2.200 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)C[C@H]1N2C ZINC001224333850 1300550472 /nfs/dbraw/zinc/55/04/72/1300550472.db2.gz NBIPJNAGWVGHOK-FJIDUMEYSA-N 0 3 348.399 2.321 20 5 EEBDHN COc1c(C)cc([N+](=O)[O-])c(OC2CCN(C)CC2)c1[N+](=O)[O-] ZINC001229869493 1302971708 /nfs/dbraw/zinc/97/17/08/1302971708.db2.gz BXHHVNSULGSNRW-UHFFFAOYSA-N 0 3 325.321 2.293 20 5 EEBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])ccc2NC(C)=O)CC1 ZINC001230245729 1303126049 /nfs/dbraw/zinc/12/60/49/1303126049.db2.gz CFJYBNRBAAGNIL-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CN(C)C(C)C)CCC2)n1 ZINC001111815343 1303933081 /nfs/dbraw/zinc/93/30/81/1303933081.db2.gz FIXSLBAWJRCRBW-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN Cc1nc(Cl)nc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001155824164 1317750087 /nfs/dbraw/zinc/75/00/87/1317750087.db2.gz LBDLBIMDWIORCD-IINYFYTJSA-N 0 3 341.799 2.060 20 5 EEBDHN Cc1cc(CN)nn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001156045133 1317849115 /nfs/dbraw/zinc/84/91/15/1317849115.db2.gz XCVWNFYYWCYJMB-UHFFFAOYSA-N 0 3 328.307 2.144 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(n3ncc4c3CCNC4)CC2)cc1 ZINC001254475013 1318082803 /nfs/dbraw/zinc/08/28/03/1318082803.db2.gz YBMCKLILZCEHQM-UHFFFAOYSA-N 0 3 327.388 2.279 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@@H](F)C[C@H](CO)C3)CC2)cc1 ZINC001254475235 1318083238 /nfs/dbraw/zinc/08/32/38/1318083238.db2.gz CUCHJLREJMCFKQ-KBPBESRZSA-N 0 3 337.395 2.216 20 5 EEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCC(C)(C)O)CC1 ZINC001254569085 1318123860 /nfs/dbraw/zinc/12/38/60/1318123860.db2.gz HPSFUVQILXGVMC-OAHLLOKOSA-N 0 3 335.448 2.304 20 5 EEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC001254583635 1318130554 /nfs/dbraw/zinc/13/05/54/1318130554.db2.gz NLSAAYHHTRAFMF-MRXNPFEDSA-N 0 3 337.379 2.241 20 5 EEBDHN O=[N+]([O-])c1cc(-c2ccc(-n3cnc4c3CNCC4)nn2)ccc1F ZINC001164317289 1321349476 /nfs/dbraw/zinc/34/94/76/1321349476.db2.gz QIVGEHFCKFKBHC-UHFFFAOYSA-N 0 3 340.318 2.022 20 5 EEBDHN COC[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319586 1351931826 /nfs/dbraw/zinc/93/18/26/1351931826.db2.gz GZTJIDOQDXRHIB-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319586 1351931828 /nfs/dbraw/zinc/93/18/28/1351931828.db2.gz GZTJIDOQDXRHIB-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319586 1351931831 /nfs/dbraw/zinc/93/18/31/1351931831.db2.gz GZTJIDOQDXRHIB-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319586 1351931834 /nfs/dbraw/zinc/93/18/34/1351931834.db2.gz GZTJIDOQDXRHIB-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001579608965 1344399900 /nfs/dbraw/zinc/39/99/00/1344399900.db2.gz WBUMEUWPLJYWIJ-UHFFFAOYSA-N 0 3 330.319 2.335 20 5 EEBDHN CC[N@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC001604347381 1350921086 /nfs/dbraw/zinc/92/10/86/1350921086.db2.gz JCXDKGUPHHNUML-TXEJJXNPSA-N 0 3 345.407 2.002 20 5 EEBDHN CC[N@@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC001604347381 1350921090 /nfs/dbraw/zinc/92/10/90/1350921090.db2.gz JCXDKGUPHHNUML-TXEJJXNPSA-N 0 3 345.407 2.002 20 5 EEBDHN COC1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000817297270 784663242 /nfs/dbraw/zinc/66/32/42/784663242.db2.gz PFQJYPDQFIZDOI-LLVKDONJSA-N 0 3 339.348 2.177 20 5 EEBDHN CC([C@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880336 789973215 /nfs/dbraw/zinc/97/32/15/789973215.db2.gz ZUFQOMZCAIQDEK-BMIGLBTASA-N 0 3 334.303 2.088 20 5 EEBDHN Cc1ncsc1CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146302451 791185250 /nfs/dbraw/zinc/18/52/50/791185250.db2.gz XKBLFLHRIPZDKE-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1csc(Cl)n1 ZINC001146813575 791500677 /nfs/dbraw/zinc/50/06/77/791500677.db2.gz GPWDCRMQXCDCSD-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN CN(C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@@H]1CCOC1 ZINC001172916977 797148899 /nfs/dbraw/zinc/14/88/99/797148899.db2.gz VBOVTWSWTAIVLC-SJLPKXTDSA-N 0 3 345.443 2.247 20 5 EEBDHN O=C1CC[C@@H]2CN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN12 ZINC001172912550 797170889 /nfs/dbraw/zinc/17/08/89/797170889.db2.gz BPHFMCLEBCCHFL-NVXWUHKLSA-N 0 3 329.400 2.149 20 5 EEBDHN O=C(CCCn1cccc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176795557 798566628 /nfs/dbraw/zinc/56/66/28/798566628.db2.gz QEGUSVDTQHHEEZ-UHFFFAOYSA-N 0 3 344.415 2.473 20 5 EEBDHN C[C@]([NH2+]CCCN1CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593268446 994594390 /nfs/dbraw/zinc/59/43/90/994594390.db2.gz UYVFTUBNWCPSST-QGZVFWFLSA-N 0 3 335.404 2.360 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000186752978 529902953 /nfs/dbraw/zinc/90/29/53/529902953.db2.gz GQPWGZBPIOZSDU-UHFFFAOYSA-N 0 3 346.431 2.361 20 5 EEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740664 245232305 /nfs/dbraw/zinc/23/23/05/245232305.db2.gz BMBGORQRGGLULP-GJZGRUSLSA-N 0 3 333.388 2.389 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740665 245233026 /nfs/dbraw/zinc/23/30/26/245233026.db2.gz BMBGORQRGGLULP-HUUCEWRRSA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265088533 247192074 /nfs/dbraw/zinc/19/20/74/247192074.db2.gz SIVRBWJLXSBLIB-SNVBAGLBSA-N 0 3 337.767 2.062 20 5 EEBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](N2CCCC2)C1 ZINC000062984522 285083862 /nfs/dbraw/zinc/08/38/62/285083862.db2.gz NKWGCAMUKUQDAC-NSHDSACASA-N 0 3 341.209 2.427 20 5 EEBDHN COCC1=CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189592433 533160489 /nfs/dbraw/zinc/16/04/89/533160489.db2.gz MOTKQUPZTMPKIW-UHFFFAOYSA-N 0 3 337.351 2.341 20 5 EEBDHN CN(C)[C@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000268033925 256106668 /nfs/dbraw/zinc/10/66/68/256106668.db2.gz MEEOSLVKEIMADJ-INIZCTEOSA-N 0 3 337.445 2.081 20 5 EEBDHN C[C@@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@H]1C1CC1 ZINC000273043698 256259828 /nfs/dbraw/zinc/25/98/28/256259828.db2.gz IZWTWSPCQJAEIE-ZWKOTPCHSA-N 0 3 345.399 2.031 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000273096899 256264929 /nfs/dbraw/zinc/26/49/29/256264929.db2.gz UUBOUAOSPIPOPW-DLBZAZTESA-N 0 3 333.388 2.389 20 5 EEBDHN CN1CC=C(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273837799 256331806 /nfs/dbraw/zinc/33/18/06/256331806.db2.gz IPCBNVCHHXUNNN-UHFFFAOYSA-N 0 3 335.379 2.390 20 5 EEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000191090569 152238767 /nfs/dbraw/zinc/23/87/67/152238767.db2.gz AVQYIWOBLNVAMT-CQSZACIVSA-N 0 3 333.388 2.222 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C)C1 ZINC000245537108 160240992 /nfs/dbraw/zinc/24/09/92/160240992.db2.gz XYJMZSRAZYRUGV-NWDGAFQWSA-N 0 3 349.387 2.174 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341933826 161025359 /nfs/dbraw/zinc/02/53/59/161025359.db2.gz DRDZLPPPOIOUBY-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C ZINC000343066168 161099627 /nfs/dbraw/zinc/09/96/27/161099627.db2.gz CYDYHXBYAJUJMQ-VXGBXAGGSA-N 0 3 345.403 2.464 20 5 EEBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000345365923 161295647 /nfs/dbraw/zinc/29/56/47/161295647.db2.gz STQAVHOUOUBCMA-UHFFFAOYSA-N 0 3 337.424 2.057 20 5 EEBDHN CC(C)N(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000345895681 161340411 /nfs/dbraw/zinc/34/04/11/161340411.db2.gz YUNZACGQYALMHW-UHFFFAOYSA-N 0 3 337.424 2.055 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)C ZINC000359593721 164132651 /nfs/dbraw/zinc/13/26/51/164132651.db2.gz TUQWWOSPOZKYQG-SNVBAGLBSA-N 0 3 329.784 2.036 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819648 164385658 /nfs/dbraw/zinc/38/56/58/164385658.db2.gz SXBZUXSTAAXMIK-LRDDRELGSA-N 0 3 328.372 2.173 20 5 EEBDHN Cn1cc(C[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370008698 166375389 /nfs/dbraw/zinc/37/53/89/166375389.db2.gz LVRHSSVQMBCLSG-AWEZNQCLSA-N 0 3 330.388 2.272 20 5 EEBDHN CN(C)C1(CN(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275520709 269120931 /nfs/dbraw/zinc/12/09/31/269120931.db2.gz VFLXFXJVVZBRSF-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000277437241 269155700 /nfs/dbraw/zinc/15/57/00/269155700.db2.gz JDLSPMZFGJZVBY-NSHDSACASA-N 0 3 349.412 2.322 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277907853 269196907 /nfs/dbraw/zinc/19/69/07/269196907.db2.gz XDDSLQVHAQTKSE-XUWXXGDYSA-N 0 3 344.415 2.406 20 5 EEBDHN C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cnn(C)c1 ZINC000130477991 274246346 /nfs/dbraw/zinc/24/63/46/274246346.db2.gz VZINIOWLMQPART-SNVBAGLBSA-N 0 3 335.339 2.147 20 5 EEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000278397603 274351482 /nfs/dbraw/zinc/35/14/82/274351482.db2.gz FRGGJVWKKIYCDQ-CYBMUJFWSA-N 0 3 337.395 2.419 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000288395918 275054028 /nfs/dbraw/zinc/05/40/28/275054028.db2.gz MQLUUEPCGFPNBQ-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582890 275072501 /nfs/dbraw/zinc/07/25/01/275072501.db2.gz XOWRMMNVTBARAK-DGCLKSJQSA-N 0 3 343.387 2.170 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CN1C1CC1 ZINC000290525944 275215338 /nfs/dbraw/zinc/21/53/38/275215338.db2.gz CVFKUGADKXLFLL-NXEZZACHSA-N 0 3 329.360 2.281 20 5 EEBDHN Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000290775902 275238403 /nfs/dbraw/zinc/23/84/03/275238403.db2.gz MRHSPBWHDLRLJN-VXGBXAGGSA-N 0 3 349.412 2.463 20 5 EEBDHN COCCC(=O)N1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000127886766 277486813 /nfs/dbraw/zinc/48/68/13/277486813.db2.gz BLGXHISFZFFLGV-CYBMUJFWSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237724578 277935258 /nfs/dbraw/zinc/93/52/58/277935258.db2.gz AAUWKXPFBLJTDW-UONOGXRCSA-N 0 3 346.431 2.020 20 5 EEBDHN CN(C[C@@H](O)Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234090 293158049 /nfs/dbraw/zinc/15/80/49/293158049.db2.gz HIRKKMSLKNNDDP-ZWKOTPCHSA-N 0 3 330.384 2.164 20 5 EEBDHN COc1ccc([C@H](CN(C)C)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000297267604 294197088 /nfs/dbraw/zinc/19/70/88/294197088.db2.gz ZFNVMAMGMHKNDG-HNNXBMFYSA-N 0 3 337.420 2.250 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795146 294343204 /nfs/dbraw/zinc/34/32/04/294343204.db2.gz XSUNEOAYNLGPEV-NOLJZWGESA-N 0 3 332.404 2.391 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297806234 294346611 /nfs/dbraw/zinc/34/66/11/294346611.db2.gz OYFHEJIGDMCMDG-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN O=C1COc2ccc(CNCCc3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000326466131 311604009 /nfs/dbraw/zinc/60/40/09/311604009.db2.gz RQNZMLFNDBJIAL-UHFFFAOYSA-N 0 3 327.340 2.258 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000412388975 312658291 /nfs/dbraw/zinc/65/82/91/312658291.db2.gz VBHKVFFGVKESBL-QMMMGPOBSA-N 0 3 330.182 2.037 20 5 EEBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966260 316621916 /nfs/dbraw/zinc/62/19/16/316621916.db2.gz LSBNASPOHIQXQR-LXIYXOSZSA-N 0 3 344.367 2.446 20 5 EEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccccc1)N(C)C ZINC000546024363 318241201 /nfs/dbraw/zinc/24/12/01/318241201.db2.gz RTSOKCFHEGODAU-LRDDRELGSA-N 0 3 330.388 2.355 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564854472 319118659 /nfs/dbraw/zinc/11/86/59/319118659.db2.gz QEBKOTKVLYXAMM-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000120305625 462985530 /nfs/dbraw/zinc/98/55/30/462985530.db2.gz KQFSVCWNCAWAPM-UHFFFAOYSA-N 0 3 342.399 2.498 20 5 EEBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296231972 465123989 /nfs/dbraw/zinc/12/39/89/465123989.db2.gz WPSMFNGJZQVNHH-AWEZNQCLSA-N 0 3 334.420 2.258 20 5 EEBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499009 465187133 /nfs/dbraw/zinc/18/71/33/465187133.db2.gz CDFKOOFNGWNJJW-UKRRQHHQSA-N 0 3 341.795 2.327 20 5 EEBDHN Cn1cc(CN[C@H]2C=C[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771847 465218263 /nfs/dbraw/zinc/21/82/63/465218263.db2.gz AZHXINJHJUCRIS-WFASDCNBSA-N 0 3 328.372 2.022 20 5 EEBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153642812 462674052 /nfs/dbraw/zinc/67/40/52/462674052.db2.gz PSTDOXIITAJHTD-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN O=C(NCCN1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047141272 462748699 /nfs/dbraw/zinc/74/86/99/462748699.db2.gz AXIKMFKDOHOGBQ-UHFFFAOYSA-N 0 3 332.404 2.385 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054936 462770667 /nfs/dbraw/zinc/77/06/67/462770667.db2.gz VZKFNCAKAKZKIZ-MLGOLLRUSA-N 0 3 338.404 2.432 20 5 EEBDHN COC[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341662 462799761 /nfs/dbraw/zinc/79/97/61/462799761.db2.gz JVUBUMGRTRVSKC-CYBMUJFWSA-N 0 3 349.387 2.251 20 5 EEBDHN CN1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117796674 462812167 /nfs/dbraw/zinc/81/21/67/462812167.db2.gz KLUVLGWYIAUJRA-LLVKDONJSA-N 0 3 325.796 2.249 20 5 EEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000131753795 462826293 /nfs/dbraw/zinc/82/62/93/462826293.db2.gz JORZLGZZPRYRDW-UHFFFAOYSA-N 0 3 330.319 2.091 20 5 EEBDHN Cn1cc(CN(CCO)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092505812 462957865 /nfs/dbraw/zinc/95/78/65/462957865.db2.gz QSYDOMFQELXUDY-UHFFFAOYSA-N 0 3 330.388 2.200 20 5 EEBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156224503 462994777 /nfs/dbraw/zinc/99/47/77/462994777.db2.gz SIFPYWSBZJHMBX-UHFFFAOYSA-N 0 3 330.182 2.039 20 5 EEBDHN CC(=O)c1ccc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373327 462998279 /nfs/dbraw/zinc/99/82/79/462998279.db2.gz OLSLIXPGSZFGTP-HNNXBMFYSA-N 0 3 335.404 2.302 20 5 EEBDHN CCCNC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050994019 463015135 /nfs/dbraw/zinc/01/51/35/463015135.db2.gz NPSRRYFOPJSTGK-AWEZNQCLSA-N 0 3 335.404 2.212 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000068352340 463126361 /nfs/dbraw/zinc/12/63/61/463126361.db2.gz CXTXOJNLKXFTKK-UWVGGRQHSA-N 0 3 329.784 2.082 20 5 EEBDHN CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026161576 463152963 /nfs/dbraw/zinc/15/29/63/463152963.db2.gz JXTCDHPQNSZSGE-UHFFFAOYSA-N 0 3 349.387 2.199 20 5 EEBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053372771 463155213 /nfs/dbraw/zinc/15/52/13/463155213.db2.gz SPCXXBWLCFDXGU-INIZCTEOSA-N 0 3 328.372 2.490 20 5 EEBDHN CNC(=O)c1ccc(NC[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562197 463174604 /nfs/dbraw/zinc/17/46/04/463174604.db2.gz PAEZEGMWFMIYNX-STQMWFEESA-N 0 3 334.420 2.487 20 5 EEBDHN CNC(=O)c1ccc(N[C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981126 463273517 /nfs/dbraw/zinc/27/35/17/463273517.db2.gz RYLPUHVSRNHMDA-QWHCGFSZSA-N 0 3 334.420 2.487 20 5 EEBDHN Cn1cncc1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579489472 468366817 /nfs/dbraw/zinc/36/68/17/468366817.db2.gz VJDBCXNMMXTFPR-UHFFFAOYSA-N 0 3 329.404 2.083 20 5 EEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000172417411 464075802 /nfs/dbraw/zinc/07/58/02/464075802.db2.gz WOMRQXUWQQYDII-UHFFFAOYSA-N 0 3 347.415 2.246 20 5 EEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000186931929 464081369 /nfs/dbraw/zinc/08/13/69/464081369.db2.gz WXACAORZSFWIKQ-DOMZBBRYSA-N 0 3 331.372 2.495 20 5 EEBDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754688 464182316 /nfs/dbraw/zinc/18/23/16/464182316.db2.gz GPBBQARPDUQOAT-GOEBONIOSA-N 0 3 348.403 2.292 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281029105 464306490 /nfs/dbraw/zinc/30/64/90/464306490.db2.gz NAGSFKOXDBZSHZ-ZDUSSCGKSA-N 0 3 333.388 2.049 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000237779628 464378532 /nfs/dbraw/zinc/37/85/32/464378532.db2.gz WMELZLYXPFUKNQ-OLZOCXBDSA-N 0 3 341.433 2.007 20 5 EEBDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264599313 464389631 /nfs/dbraw/zinc/38/96/31/464389631.db2.gz NEZQAOIXAMJFAC-CQSZACIVSA-N 0 3 332.404 2.094 20 5 EEBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@@H]12 ZINC000294359847 464477675 /nfs/dbraw/zinc/47/76/75/464477675.db2.gz GHKPSRADICQQTK-HOTGVXAUSA-N 0 3 345.399 2.301 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000175848331 464641880 /nfs/dbraw/zinc/64/18/80/464641880.db2.gz WDDOIUKXBQBDIU-CHWSQXEVSA-N 0 3 336.417 2.441 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000247460869 464681269 /nfs/dbraw/zinc/68/12/69/464681269.db2.gz QZYKWNFTUYJLRQ-UONOGXRCSA-N 0 3 335.404 2.162 20 5 EEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247452246 464681344 /nfs/dbraw/zinc/68/13/44/464681344.db2.gz QHMNFCCQSRCVCB-DZGCQCFKSA-N 0 3 334.420 2.195 20 5 EEBDHN CN(C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176047426 464687150 /nfs/dbraw/zinc/68/71/50/464687150.db2.gz NDBZEVRXQWJRSK-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775794 464692136 /nfs/dbraw/zinc/69/21/36/464692136.db2.gz DRIWNEWMMZZDCY-DOTOQJQBSA-N 0 3 349.431 2.159 20 5 EEBDHN CCCN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1COc2ccccc2O1 ZINC000176207565 464720646 /nfs/dbraw/zinc/72/06/46/464720646.db2.gz ODFTXTDBRWVCKR-AWEZNQCLSA-N 0 3 346.387 2.343 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295258444 464764592 /nfs/dbraw/zinc/76/45/92/464764592.db2.gz CZLVBFAASPHKTL-CYBMUJFWSA-N 0 3 338.404 2.465 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000192122115 464869491 /nfs/dbraw/zinc/86/94/91/464869491.db2.gz SSZMASQWTHZVLE-HIFRSBDPSA-N 0 3 338.314 2.189 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(N)=O)CCCCC1 ZINC000177123914 464936872 /nfs/dbraw/zinc/93/68/72/464936872.db2.gz VDEUDMVSFOCLIS-UHFFFAOYSA-N 0 3 348.403 2.010 20 5 EEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000177311652 464984585 /nfs/dbraw/zinc/98/45/85/464984585.db2.gz WQJBGIYVQLKNMR-UHFFFAOYSA-N 0 3 345.403 2.499 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261473 464995889 /nfs/dbraw/zinc/99/58/89/464995889.db2.gz ZIGPOUILBKPTBQ-ZBEGNZNMSA-N 0 3 344.415 2.382 20 5 EEBDHN CN1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184737113 465023377 /nfs/dbraw/zinc/02/33/77/465023377.db2.gz HESSBLNPLFTQPH-LBPRGKRZSA-N 0 3 326.784 2.142 20 5 EEBDHN CC(C)C[C@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348007514 465367534 /nfs/dbraw/zinc/36/75/34/465367534.db2.gz PPBQWCVXIMEUIM-ZDUSSCGKSA-N 0 3 343.449 2.145 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934788 465399007 /nfs/dbraw/zinc/39/90/07/465399007.db2.gz OAGIZOWNWPYDAU-HZMBPMFUSA-N 0 3 328.372 2.289 20 5 EEBDHN CN(C)[C@]1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCSC1 ZINC000352367522 465521204 /nfs/dbraw/zinc/52/12/04/465521204.db2.gz PMTLRNZFWBEPPX-INIZCTEOSA-N 0 3 332.429 2.992 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154749 468448368 /nfs/dbraw/zinc/44/83/68/468448368.db2.gz NWCCYCSUPSEDSI-NWDGAFQWSA-N 0 3 343.387 2.307 20 5 EEBDHN COc1cccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344640107 465742994 /nfs/dbraw/zinc/74/29/94/465742994.db2.gz IDNAWLBRIGXNEY-CQSZACIVSA-N 0 3 335.404 2.454 20 5 EEBDHN CN1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000312639772 466531701 /nfs/dbraw/zinc/53/17/01/466531701.db2.gz DAWDUSGCHGQNGI-ZJUUUORDSA-N 0 3 341.209 2.140 20 5 EEBDHN Nc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000363688048 466560259 /nfs/dbraw/zinc/56/02/59/466560259.db2.gz BTMKFDSCNKRQSL-NSHDSACASA-N 0 3 336.367 2.063 20 5 EEBDHN COC(=O)[C@H](O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368482 466593879 /nfs/dbraw/zinc/59/38/79/466593879.db2.gz YHKUJRQKVJTBMC-JIIJFUIFSA-N 0 3 348.399 2.244 20 5 EEBDHN Cc1ccc([C@]2(C)CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028265 466764812 /nfs/dbraw/zinc/76/48/12/466764812.db2.gz CJUPNDZJLRLKRE-ZWKOTPCHSA-N 0 3 344.415 2.124 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCNc1cnccn1)CCCC2 ZINC000417316710 466832851 /nfs/dbraw/zinc/83/28/51/466832851.db2.gz UQUBKTATJXNZEC-MRXNPFEDSA-N 0 3 327.388 2.854 20 5 EEBDHN C[C@H]1C[C@H](c2cccnc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447320 466881976 /nfs/dbraw/zinc/88/19/76/466881976.db2.gz MJHWVSTUDLYZEO-XJKSGUPXSA-N 0 3 328.372 2.235 20 5 EEBDHN CO[C@@](C)([C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961541 466947999 /nfs/dbraw/zinc/94/79/99/466947999.db2.gz ANTOBBRAIBBYKS-XIKOKIGWSA-N 0 3 347.415 2.277 20 5 EEBDHN CO[C@](C)([C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973236 466953119 /nfs/dbraw/zinc/95/31/19/466953119.db2.gz RJCYFEVJPVSOBF-YVEFUNNKSA-N 0 3 335.404 2.351 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425627392 467116501 /nfs/dbraw/zinc/11/65/01/467116501.db2.gz VNIKXABTFCTVMZ-SMDDNHRTSA-N 0 3 334.376 2.161 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000377954100 467170518 /nfs/dbraw/zinc/17/05/18/467170518.db2.gz NICSZXVPSDCPTL-NVXWUHKLSA-N 0 3 330.388 2.379 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000451987206 467295079 /nfs/dbraw/zinc/29/50/79/467295079.db2.gz NWLYROHZHBZSHV-UHFFFAOYSA-N 0 3 338.427 2.240 20 5 EEBDHN CC(C)c1nc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000453289761 467477941 /nfs/dbraw/zinc/47/79/41/467477941.db2.gz MOIDYBFWYYYXGH-RYUDHWBXSA-N 0 3 333.396 2.306 20 5 EEBDHN CNc1nc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454709297 467611195 /nfs/dbraw/zinc/61/11/95/467611195.db2.gz HKXGCERQVZQUBS-VXGBXAGGSA-N 0 3 335.408 2.024 20 5 EEBDHN CCN1CCN(CC(C)(C)NCc2csc([N+](=O)[O-])c2)CC1 ZINC000449744365 467705030 /nfs/dbraw/zinc/70/50/30/467705030.db2.gz GOURASOZFUAJNQ-UHFFFAOYSA-N 0 3 326.466 2.162 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450547610 467868651 /nfs/dbraw/zinc/86/86/51/467868651.db2.gz ODPRQZBTASNWLJ-LBPRGKRZSA-N 0 3 348.403 2.087 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCN1C ZINC000450789392 467908483 /nfs/dbraw/zinc/90/84/83/467908483.db2.gz GJXWYVOOLJNDDC-FZMZJTMJSA-N 0 3 343.387 2.197 20 5 EEBDHN CC(COC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496075793 468113012 /nfs/dbraw/zinc/11/30/12/468113012.db2.gz IQZSEWYVZMHKCM-IJLUTSLNSA-N 0 3 330.381 2.230 20 5 EEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594200392 468510393 /nfs/dbraw/zinc/51/03/93/468510393.db2.gz LSDWZZMCLQUUMR-CABCVRRESA-N 0 3 347.415 2.497 20 5 EEBDHN Nc1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418561 468579713 /nfs/dbraw/zinc/57/97/13/468579713.db2.gz KDNJFASVYGAOGC-STQMWFEESA-N 0 3 336.367 2.063 20 5 EEBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920413 468711955 /nfs/dbraw/zinc/71/19/55/468711955.db2.gz BPXHVGZUKZMREH-CYBMUJFWSA-N 0 3 335.404 2.271 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113506 468746107 /nfs/dbraw/zinc/74/61/07/468746107.db2.gz HKFXVKFAAOZCQQ-ZWKOTPCHSA-N 0 3 342.399 2.178 20 5 EEBDHN CC(C)(O)CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595333053 468814649 /nfs/dbraw/zinc/81/46/49/468814649.db2.gz AEVJQSSERNOEDE-UHFFFAOYSA-N 0 3 326.368 2.486 20 5 EEBDHN Cc1noc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000595405327 468840377 /nfs/dbraw/zinc/84/03/77/468840377.db2.gz WACWBJGUVJZLBC-LLVKDONJSA-N 0 3 332.364 2.266 20 5 EEBDHN COc1cc(CN(CCn2c(C)ncc2[N+](=O)[O-])C2CC2)ccc1O ZINC000602798574 469084337 /nfs/dbraw/zinc/08/43/37/469084337.db2.gz LKVWSEJPZMGJEL-UHFFFAOYSA-N 0 3 346.387 2.479 20 5 EEBDHN COC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000602882616 469140909 /nfs/dbraw/zinc/14/09/09/469140909.db2.gz LPPMZZLUPGVKCR-HNNXBMFYSA-N 0 3 334.376 2.086 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596158125 469179437 /nfs/dbraw/zinc/17/94/37/469179437.db2.gz QTFGSPJFMNEHDC-UHFFFAOYSA-N 0 3 342.399 2.262 20 5 EEBDHN CN1CCC[C@H](N2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270936 469215787 /nfs/dbraw/zinc/21/57/87/469215787.db2.gz UREYHTSPRSQEDE-GINYUPMKSA-N 0 3 344.459 2.320 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCn1cncn1 ZINC000602542780 469354465 /nfs/dbraw/zinc/35/44/65/469354465.db2.gz XFIHTIIZIIHNEQ-UHFFFAOYSA-N 0 3 329.282 2.385 20 5 EEBDHN Cc1n[nH]c(CCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602600219 469379693 /nfs/dbraw/zinc/37/96/93/469379693.db2.gz UNJYMZDPRCREGG-UHFFFAOYSA-N 0 3 346.210 2.178 20 5 EEBDHN Cc1nc(CCNCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602600219 469379697 /nfs/dbraw/zinc/37/96/97/469379697.db2.gz UNJYMZDPRCREGG-UHFFFAOYSA-N 0 3 346.210 2.178 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000603662393 469422298 /nfs/dbraw/zinc/42/22/98/469422298.db2.gz WYGZCOIFZLMVJA-SFHVURJKSA-N 0 3 349.431 2.160 20 5 EEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183912860 528439629 /nfs/dbraw/zinc/43/96/29/528439629.db2.gz HDXWDGKNMNLJJL-CQSZACIVSA-N 0 3 345.403 2.204 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000425048710 536488137 /nfs/dbraw/zinc/48/81/37/536488137.db2.gz CLNUDHDIFNQSDJ-XHDPSFHLSA-N 0 3 328.372 2.242 20 5 EEBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000727982244 576465425 /nfs/dbraw/zinc/46/54/25/576465425.db2.gz FYYWLYBHVNRHIV-UHFFFAOYSA-N 0 3 343.387 2.317 20 5 EEBDHN CN(C)C(=O)CCN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000731480908 577103142 /nfs/dbraw/zinc/10/31/42/577103142.db2.gz HTMBFJPODFVFIE-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN Cc1cc(F)cc(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000758510695 577626057 /nfs/dbraw/zinc/62/60/57/577626057.db2.gz XFUHIEBSZQMAKN-OAHLLOKOSA-N 0 3 341.408 2.209 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000761130248 577677619 /nfs/dbraw/zinc/67/76/19/577677619.db2.gz QIJHUTPYRQPQAQ-GFCCVEGCSA-N 0 3 330.388 2.219 20 5 EEBDHN CCc1nn(C)c(CC)c1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000756026021 577837102 /nfs/dbraw/zinc/83/71/02/577837102.db2.gz QNJKFAQQCMKCAQ-KRWDZBQOSA-N 0 3 332.404 2.276 20 5 EEBDHN CC1CC[NH+](CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820722600 606644644 /nfs/dbraw/zinc/64/46/44/606644644.db2.gz KNPGFOOFSAZNAM-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccccc2C(F)(F)F)n1 ZINC000933245908 676525896 /nfs/dbraw/zinc/52/58/96/676525896.db2.gz LPJDGXGEVCWDNU-LBPRGKRZSA-N 0 3 344.293 2.133 20 5 EEBDHN Cc1c(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)ccn1C ZINC001022671285 678181488 /nfs/dbraw/zinc/18/14/88/678181488.db2.gz NYMPNYAVMVSYRP-GASCZTMLSA-N 0 3 342.399 2.292 20 5 EEBDHN COC1CCN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893360971 684898382 /nfs/dbraw/zinc/89/83/82/684898382.db2.gz HGXUKMYYFYMGAG-UHFFFAOYSA-N 0 3 327.812 2.449 20 5 EEBDHN Cc1ncccc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000898256637 691928124 /nfs/dbraw/zinc/92/81/24/691928124.db2.gz DLKXGUJCRRNXOC-UHFFFAOYSA-N 0 3 329.356 2.402 20 5 EEBDHN Cc1nc(C(=O)N2CCC(NCc3csc([N+](=O)[O-])c3)CC2)c[nH]1 ZINC000990278972 692805017 /nfs/dbraw/zinc/80/50/17/692805017.db2.gz SYLDOKFJENMTCA-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095674178 1205910846 /nfs/dbraw/zinc/91/08/46/1205910846.db2.gz GGEXOXSICNIBJZ-UHFFFAOYSA-N 0 3 336.436 2.268 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778268598 1208027657 /nfs/dbraw/zinc/02/76/57/1208027657.db2.gz GGOVKRNLGCOGIW-NSHDSACASA-N 0 3 349.416 2.204 20 5 EEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2c(C)cc(C)cc2C)C1 ZINC000950052616 1209999760 /nfs/dbraw/zinc/99/97/60/1209999760.db2.gz KQAJSPPZJUOUJN-SJLPKXTDSA-N 0 3 345.443 2.310 20 5 EEBDHN Cc1cc(C)cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001017544145 1227506763 /nfs/dbraw/zinc/50/67/63/1227506763.db2.gz LYYDVGSIVMBMOG-XMTFNYHQSA-N 0 3 343.427 2.144 20 5 EEBDHN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001247579514 1310641039 /nfs/dbraw/zinc/64/10/39/1310641039.db2.gz WXZPTAOILHGATH-UHFFFAOYSA-N 0 3 337.339 2.276 20 5 EEBDHN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889440 1315428252 /nfs/dbraw/zinc/42/82/52/1315428252.db2.gz GJEPZIOXZQBAOK-LLVKDONJSA-N 0 3 341.433 2.043 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1 ZINC000843468733 1315919926 /nfs/dbraw/zinc/91/99/26/1315919926.db2.gz YNFUTZBZJLSFPE-MRXNPFEDSA-N 0 3 346.431 2.265 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152977117 1316752348 /nfs/dbraw/zinc/75/23/48/1316752348.db2.gz FHRJXJBHZQAMLF-WNDYTACBSA-N 0 3 329.400 2.093 20 5 EEBDHN Cc1cc(NC(=N)N2CCN(C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001157915117 1318928291 /nfs/dbraw/zinc/92/82/91/1318928291.db2.gz QAUVRDKNCGXICA-UHFFFAOYSA-N 0 3 328.376 2.045 20 5 EEBDHN CCN1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001165200766 1321470904 /nfs/dbraw/zinc/47/09/04/1321470904.db2.gz AFGPIJIYCHFHGG-FPLPWBNLSA-N 0 3 333.436 2.443 20 5 EEBDHN Cn1cncc1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166187 1331569309 /nfs/dbraw/zinc/56/93/09/1331569309.db2.gz IBQOGENDWJVOQV-QGZVFWFLSA-N 0 3 330.388 2.241 20 5 EEBDHN CC(C)(C)N1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001317890922 1332442203 /nfs/dbraw/zinc/44/22/03/1332442203.db2.gz IJMSYDDUYNXXHJ-UHFFFAOYSA-N 0 3 344.419 2.227 20 5 EEBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340124481 1337125921 /nfs/dbraw/zinc/12/59/21/1337125921.db2.gz SNHZXSZICGRYLP-UHFFFAOYSA-N 0 3 348.407 2.387 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CNCC2 ZINC001580699456 1344551753 /nfs/dbraw/zinc/55/17/53/1344551753.db2.gz ORYAQSGTFKALBG-UHFFFAOYSA-N 0 3 331.397 2.275 20 5 EEBDHN CC[NH+](CC)CCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590688049 1349389088 /nfs/dbraw/zinc/38/90/88/1349389088.db2.gz UOJNSTAGEHEDBR-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN CC[NH+](CC)CCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590688049 1349389089 /nfs/dbraw/zinc/38/90/89/1349389089.db2.gz UOJNSTAGEHEDBR-UHFFFAOYSA-N 0 3 333.396 2.309 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479931 1349812966 /nfs/dbraw/zinc/81/29/66/1349812966.db2.gz CLDSYFPTJZEQNT-CHWSQXEVSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001593479931 1349812970 /nfs/dbraw/zinc/81/29/70/1349812970.db2.gz CLDSYFPTJZEQNT-CHWSQXEVSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479931 1349812973 /nfs/dbraw/zinc/81/29/73/1349812973.db2.gz CLDSYFPTJZEQNT-CHWSQXEVSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001593479931 1349812977 /nfs/dbraw/zinc/81/29/77/1349812977.db2.gz CLDSYFPTJZEQNT-CHWSQXEVSA-N 0 3 343.391 2.204 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC001116039082 1371718782 /nfs/dbraw/zinc/71/87/82/1371718782.db2.gz KQMGLMSIAPFOOR-UONOGXRCSA-N 0 3 341.433 2.054 20 5 EEBDHN CC(C)c1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001167156652 757418994 /nfs/dbraw/zinc/41/89/94/757418994.db2.gz DYUCGUYWJBNXNA-UHFFFAOYSA-N 0 3 345.403 2.351 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000894084194 780494521 /nfs/dbraw/zinc/49/45/21/780494521.db2.gz RWXWLVBRQFYUNT-AWEZNQCLSA-N 0 3 329.404 2.287 20 5 EEBDHN C[S@](=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137356 785418481 /nfs/dbraw/zinc/41/84/81/785418481.db2.gz BFZCQMMUQMALPK-HJPURHCSSA-N 0 3 334.397 2.155 20 5 EEBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000910275751 786604463 /nfs/dbraw/zinc/60/44/63/786604463.db2.gz XKPCGGPPLMLODT-AWEZNQCLSA-N 0 3 335.404 2.225 20 5 EEBDHN CCNC(=O)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881441 789973699 /nfs/dbraw/zinc/97/36/99/789973699.db2.gz ZRDKUEWUFCUXTA-ZBEGNZNMSA-N 0 3 340.351 2.382 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110148626 795624466 /nfs/dbraw/zinc/62/44/66/795624466.db2.gz MMLYUYDHNJYTET-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCOC[C@@H]2F)c1F ZINC001173177356 797277398 /nfs/dbraw/zinc/27/73/98/797277398.db2.gz AZWQQSIRDGJJBL-DLOVCJGASA-N 0 3 330.331 2.390 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)N3C)c1F ZINC001173198350 797284513 /nfs/dbraw/zinc/28/45/13/797284513.db2.gz YVWUBYGIBLWNGT-UPJWGTAASA-N 0 3 337.395 2.452 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(OC(F)F)c1 ZINC000785802545 806604944 /nfs/dbraw/zinc/60/49/44/806604944.db2.gz VRROXYLROFBVSY-VXGBXAGGSA-N 0 3 343.330 2.471 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001086013395 801941051 /nfs/dbraw/zinc/94/10/51/801941051.db2.gz SNSUIYASYJADOW-AKAXFMLLSA-N 0 3 340.383 2.288 20 5 EEBDHN CO[C@H](CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040059 803583484 /nfs/dbraw/zinc/58/34/84/803583484.db2.gz XITFMFQRELKHHV-NZSAHSFTSA-N 0 3 347.459 2.437 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504348 807554549 /nfs/dbraw/zinc/55/45/49/807554549.db2.gz CJRFWQUAOWPHEW-GXTWGEPZSA-N 0 3 331.372 2.268 20 5 EEBDHN CC1(C)CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1 ZINC000791131321 809089533 /nfs/dbraw/zinc/08/95/33/809089533.db2.gz FAPIOTADMCICLJ-UHFFFAOYSA-N 0 3 329.759 2.140 20 5 EEBDHN CCOC(=O)[C@@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345022 809916383 /nfs/dbraw/zinc/91/63/83/809916383.db2.gz GLNDUYMURQXPLI-GXTWGEPZSA-N 0 3 336.388 2.419 20 5 EEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001131094530 812388920 /nfs/dbraw/zinc/38/89/20/812388920.db2.gz ZBZVWVRETIUDOM-UHFFFAOYSA-N 0 3 349.431 2.253 20 5 EEBDHN CC(COC(=O)c1cc2cc(Br)cnc2n1C)[N+](=O)[O-] ZINC001525758709 1120352862 /nfs/dbraw/zinc/35/28/62/1120352862.db2.gz ANDPWLKRMVZRDD-ZETCQYMHSA-N 0 3 342.149 2.158 20 5 EEBDHN Cc1c(Br)c(N2C[C@@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000131386394 300908510 /nfs/dbraw/zinc/90/85/10/300908510.db2.gz YPNKVQXGGCASTB-SFYZADRCSA-N 0 3 329.198 2.247 20 5 EEBDHN C[C@@H](C[C@@H]1COCCN1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087508 240359427 /nfs/dbraw/zinc/35/94/27/240359427.db2.gz OIFNCSDQKOEBLW-GXFFZTMASA-N 0 3 347.337 2.470 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)Cc1ccccc1 ZINC000191532934 239171491 /nfs/dbraw/zinc/17/14/91/239171491.db2.gz HNMRKUGRTHJCET-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN CCOC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246360861 243237887 /nfs/dbraw/zinc/23/78/87/243237887.db2.gz KTRSJOJTOXETPT-GOEBONIOSA-N 0 3 338.404 2.083 20 5 EEBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110966931 220085540 /nfs/dbraw/zinc/08/55/40/220085540.db2.gz UXVOAXFZQNCWLL-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN CN(C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268103444 256113499 /nfs/dbraw/zinc/11/34/99/256113499.db2.gz FCPMWAZICLMTJH-ZDUSSCGKSA-N 0 3 340.811 2.484 20 5 EEBDHN COc1ccc(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076493 256263221 /nfs/dbraw/zinc/26/32/21/256263221.db2.gz POYUXDPMOQZGHV-DLBZAZTESA-N 0 3 349.387 2.089 20 5 EEBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274031252 256347616 /nfs/dbraw/zinc/34/76/16/256347616.db2.gz NURWSSQCMNVCLN-UWVGGRQHSA-N 0 3 327.768 2.201 20 5 EEBDHN COc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000375375988 286457788 /nfs/dbraw/zinc/45/77/88/286457788.db2.gz AQDPELFYYPFEHF-GJZGRUSLSA-N 0 3 348.447 2.066 20 5 EEBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083026765 159160073 /nfs/dbraw/zinc/16/00/73/159160073.db2.gz QAVXXTVEFZWRMY-KBPBESRZSA-N 0 3 335.404 2.214 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000341948127 161026585 /nfs/dbraw/zinc/02/65/85/161026585.db2.gz RKHBUQDPLXNYNS-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344397373 161223492 /nfs/dbraw/zinc/22/34/92/161223492.db2.gz SQHRBFYTWPBMDZ-IRXDYDNUSA-N 0 3 333.388 2.389 20 5 EEBDHN CNc1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344682669 161235586 /nfs/dbraw/zinc/23/55/86/161235586.db2.gz OFIXJZPTGUPURR-AWEZNQCLSA-N 0 3 334.420 2.487 20 5 EEBDHN CC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(CC)CC ZINC000345586596 161313748 /nfs/dbraw/zinc/31/37/48/161313748.db2.gz JNQFHOVCEFGROS-QGZVFWFLSA-N 0 3 348.447 2.364 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352561388 162189293 /nfs/dbraw/zinc/18/92/93/162189293.db2.gz WPQRVIUPPMASRS-CYBMUJFWSA-N 0 3 343.449 2.302 20 5 EEBDHN COc1ccc(CN(CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355470194 163201317 /nfs/dbraw/zinc/20/13/17/163201317.db2.gz JOLOYKIKRQOKJG-ZDUSSCGKSA-N 0 3 326.418 2.293 20 5 EEBDHN CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000374871960 167056673 /nfs/dbraw/zinc/05/66/73/167056673.db2.gz CSBPIKMMBQEDHD-IUODEOHRSA-N 0 3 333.388 2.160 20 5 EEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269398004 268676959 /nfs/dbraw/zinc/67/69/59/268676959.db2.gz NFLYALHFSHGYNI-GFCCVEGCSA-N 0 3 337.424 2.436 20 5 EEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272655231 269005253 /nfs/dbraw/zinc/00/52/53/269005253.db2.gz GFEADAPGVKCSLA-CQSZACIVSA-N 0 3 341.371 2.386 20 5 EEBDHN CN(C)C1(CN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000275730045 269139697 /nfs/dbraw/zinc/13/96/97/269139697.db2.gz JXFABDAQCCGFQZ-UHFFFAOYSA-N 0 3 344.415 2.492 20 5 EEBDHN C[C@H]1CN(CCCNc2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000277977533 269203218 /nfs/dbraw/zinc/20/32/18/269203218.db2.gz KBPGDWSIOVXDTH-NSHDSACASA-N 0 3 339.421 2.217 20 5 EEBDHN Cn1cc(-c2ccc(CNCCn3cc([N+](=O)[O-])cn3)s2)cn1 ZINC000282316222 269481436 /nfs/dbraw/zinc/48/14/36/269481436.db2.gz SWIMHTJFTOURQV-UHFFFAOYSA-N 0 3 332.389 2.043 20 5 EEBDHN O=C1c2ccccc2CCN1CCNCc1cccc([N+](=O)[O-])c1 ZINC000189049735 274036536 /nfs/dbraw/zinc/03/65/36/274036536.db2.gz LZRCKQMURIYGCC-UHFFFAOYSA-N 0 3 325.368 2.383 20 5 EEBDHN Cc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274740051 274219606 /nfs/dbraw/zinc/21/96/06/274219606.db2.gz VLULSBZFVIQZTO-QMTHXVAHSA-N 0 3 331.376 2.048 20 5 EEBDHN Cc1c([C@@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969923 274922995 /nfs/dbraw/zinc/92/29/95/274922995.db2.gz IJISQSBFAPIQRK-OLZOCXBDSA-N 0 3 326.418 2.379 20 5 EEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186771572 279306098 /nfs/dbraw/zinc/30/60/98/279306098.db2.gz RSLBGSDMCNKCIK-CYBMUJFWSA-N 0 3 341.433 2.138 20 5 EEBDHN Cc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccnn2C)c1 ZINC000338448395 280827105 /nfs/dbraw/zinc/82/71/05/280827105.db2.gz PKKCYWBKZCWRSW-UHFFFAOYSA-N 0 3 340.387 2.290 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000261736745 281007657 /nfs/dbraw/zinc/00/76/57/281007657.db2.gz MJWAMYQRWKISMP-JKSUJKDBSA-N 0 3 325.368 2.470 20 5 EEBDHN COc1cccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195425276 295288008 /nfs/dbraw/zinc/28/80/08/295288008.db2.gz GIEWZFCDTRYDME-OLZOCXBDSA-N 0 3 335.404 2.454 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000332511030 312017749 /nfs/dbraw/zinc/01/77/49/312017749.db2.gz UWBOGXDQGVIJTL-GJZGRUSLSA-N 0 3 346.431 2.400 20 5 EEBDHN Cn1cc(CN2CCNC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414765316 313080400 /nfs/dbraw/zinc/08/04/00/313080400.db2.gz BSICFBYDNVASHH-KRWDZBQOSA-N 0 3 347.394 2.129 20 5 EEBDHN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000531354461 317788975 /nfs/dbraw/zinc/78/89/75/317788975.db2.gz KTWVZEQJAWVQEC-UHFFFAOYSA-N 0 3 346.431 2.022 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542523465 318131434 /nfs/dbraw/zinc/13/14/34/318131434.db2.gz WPEWUXBCFHPYLX-NSHDSACASA-N 0 3 349.387 2.126 20 5 EEBDHN CNc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581684663 324303327 /nfs/dbraw/zinc/30/33/27/324303327.db2.gz XGBTTYXPOYHYQK-XJKCOSOUSA-N 0 3 346.431 2.439 20 5 EEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295946789 465031396 /nfs/dbraw/zinc/03/13/96/465031396.db2.gz GSZXFROYWGXVHX-GFCCVEGCSA-N 0 3 334.376 2.419 20 5 EEBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162083 465117872 /nfs/dbraw/zinc/11/78/72/465117872.db2.gz QDFUVRQWDXVFOE-SNVBAGLBSA-N 0 3 349.357 2.081 20 5 EEBDHN CN(C)Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000015140261 462942885 /nfs/dbraw/zinc/94/28/85/462942885.db2.gz HUCKXHAYWKXCBP-UHFFFAOYSA-N 0 3 343.383 2.352 20 5 EEBDHN CCc1nn(C)c(NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000094131849 463060559 /nfs/dbraw/zinc/06/05/59/463060559.db2.gz WDNZMFZTBZGPBJ-CQSZACIVSA-N 0 3 331.420 2.476 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079783554 463249117 /nfs/dbraw/zinc/24/91/17/463249117.db2.gz JYEWIIHFMUHBSP-VIFPVBQESA-N 0 3 342.193 2.039 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055407047 463319021 /nfs/dbraw/zinc/31/90/21/463319021.db2.gz IAZWTWPOUYJBGN-VXGBXAGGSA-N 0 3 345.403 2.321 20 5 EEBDHN O=C([C@H]1CCCCN1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909366 463382046 /nfs/dbraw/zinc/38/20/46/463382046.db2.gz AVZBVHLJZXKTTL-MRXNPFEDSA-N 0 3 333.388 2.107 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743643 463702281 /nfs/dbraw/zinc/70/22/81/463702281.db2.gz NXWYDAYZAWNHKD-CABCVRRESA-N 0 3 346.431 2.400 20 5 EEBDHN COCC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000172070338 463982564 /nfs/dbraw/zinc/98/25/64/463982564.db2.gz UOTOGRSPKXHPLZ-CQSZACIVSA-N 0 3 334.319 2.073 20 5 EEBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000279253069 464078517 /nfs/dbraw/zinc/07/85/17/464078517.db2.gz IKGWHWBTMKHQOQ-NSHDSACASA-N 0 3 343.786 2.482 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270990160 464273183 /nfs/dbraw/zinc/27/31/83/464273183.db2.gz DWLLMGSDCJUTSR-NEPJUHHUSA-N 0 3 343.836 2.366 20 5 EEBDHN CN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284747466 464322914 /nfs/dbraw/zinc/32/29/14/464322914.db2.gz XFIJYLVMAOFEJQ-LSDHHAIUSA-N 0 3 325.796 2.153 20 5 EEBDHN COc1cc(CN2CCCN(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000284826193 464356822 /nfs/dbraw/zinc/35/68/22/464356822.db2.gz YASHUJZBTLGVHI-UHFFFAOYSA-N 0 3 345.346 2.342 20 5 EEBDHN C[C@H]1CN(CC(C)(C)O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188745782 464360203 /nfs/dbraw/zinc/36/02/03/464360203.db2.gz IROPBGYDCWJOMW-VFADXPBXSA-N 0 3 333.432 2.385 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000271898588 464405422 /nfs/dbraw/zinc/40/54/22/464405422.db2.gz UYLFGQCWPODKFT-HUUCEWRRSA-N 0 3 333.388 2.471 20 5 EEBDHN O=C(C[C@H]1CSCCN1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000238086139 464430951 /nfs/dbraw/zinc/43/09/51/464430951.db2.gz ADTDXDXOGLBRDV-AWEZNQCLSA-N 0 3 337.445 2.129 20 5 EEBDHN C[C@H]1CCCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294278576 464453614 /nfs/dbraw/zinc/45/36/14/464453614.db2.gz AVTPUHCJIRIWMT-AWEZNQCLSA-N 0 3 347.415 2.406 20 5 EEBDHN CN1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294389481 464487019 /nfs/dbraw/zinc/48/70/19/464487019.db2.gz DDCDPAHSKZSBAF-VIFPVBQESA-N 0 3 331.294 2.295 20 5 EEBDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146955 464495426 /nfs/dbraw/zinc/49/54/26/464495426.db2.gz WLGGWWJQKUTWIQ-SUMWQHHRSA-N 0 3 347.415 2.415 20 5 EEBDHN CC[C@H](C)N(C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189803603 464551962 /nfs/dbraw/zinc/55/19/62/464551962.db2.gz GXLIGVVQBZNRFQ-NSHDSACASA-N 0 3 329.422 2.141 20 5 EEBDHN CCO[C@@H]1C[C@](CO)(NCCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013709 464586718 /nfs/dbraw/zinc/58/67/18/464586718.db2.gz ORFOBWPFFFMVPS-NVXWUHKLSA-N 0 3 338.404 2.129 20 5 EEBDHN COC[C@]1(C(=O)OC)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000295120223 464712049 /nfs/dbraw/zinc/71/20/49/464712049.db2.gz IREVXHBTRMNJRG-GUYCJALGSA-N 0 3 336.388 2.476 20 5 EEBDHN CN(CCN(C)C1CC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295473835 464850238 /nfs/dbraw/zinc/85/02/38/464850238.db2.gz YGDVDHHEOOBHAS-UHFFFAOYSA-N 0 3 343.387 2.151 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000266982894 464893649 /nfs/dbraw/zinc/89/36/49/464893649.db2.gz BAFGSACYMSOLLU-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177178131 464951064 /nfs/dbraw/zinc/95/10/64/464951064.db2.gz GGUUFIAQVLUBEQ-NWDGAFQWSA-N 0 3 335.429 2.428 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184737091 465023006 /nfs/dbraw/zinc/02/30/06/465023006.db2.gz HESSBLNPLFTQPH-GFCCVEGCSA-N 0 3 326.784 2.142 20 5 EEBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551118 465449377 /nfs/dbraw/zinc/44/93/77/465449377.db2.gz ZHNSVABFAOXTAG-RYUDHWBXSA-N 0 3 334.376 2.386 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)nc1OCc1ccccc1 ZINC000360597120 465583159 /nfs/dbraw/zinc/58/31/59/465583159.db2.gz LCXGGVUHZXMAGW-UHFFFAOYSA-N 0 3 342.399 3.077 20 5 EEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078793 465591421 /nfs/dbraw/zinc/59/14/21/465591421.db2.gz IREDOTNTEBHKCG-KBPBESRZSA-N 0 3 335.404 2.210 20 5 EEBDHN CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353107155 465642604 /nfs/dbraw/zinc/64/26/04/465642604.db2.gz NMTQUVGWMPVHKB-HNNXBMFYSA-N 0 3 343.449 2.240 20 5 EEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200030 465984284 /nfs/dbraw/zinc/98/42/84/465984284.db2.gz QSGGVHHDXSXLFB-GRDNDAEWSA-N 0 3 347.415 2.162 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422193 466077183 /nfs/dbraw/zinc/07/71/83/466077183.db2.gz UNRMNWZYLLCSKS-RFAUZJTJSA-N 0 3 339.342 2.014 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000340529045 466154795 /nfs/dbraw/zinc/15/47/95/466154795.db2.gz HPIDWHNFSZIUHH-UHFFFAOYSA-N 0 3 325.413 2.101 20 5 EEBDHN CC(C)CN(CCN(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000340529045 466154803 /nfs/dbraw/zinc/15/48/03/466154803.db2.gz HPIDWHNFSZIUHH-UHFFFAOYSA-N 0 3 325.413 2.101 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 ZINC000340575769 466180373 /nfs/dbraw/zinc/18/03/73/466180373.db2.gz NJRAWSMATSMFEZ-JKSUJKDBSA-N 0 3 328.372 2.037 20 5 EEBDHN CCN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)[C@H]2C1 ZINC000332199171 466443062 /nfs/dbraw/zinc/44/30/62/466443062.db2.gz FJABVNDLSWVBMY-DLBZAZTESA-N 0 3 347.415 2.147 20 5 EEBDHN CN1CCNC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531252 466768384 /nfs/dbraw/zinc/76/83/84/466768384.db2.gz ZSKSFJFXGYBZIW-MOPGFXCFSA-N 0 3 340.427 2.177 20 5 EEBDHN O=C(C[C@@H]1CSCCN1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732295 466816817 /nfs/dbraw/zinc/81/68/17/466816817.db2.gz YZNSEDLJEBWOMC-CYBMUJFWSA-N 0 3 335.429 2.181 20 5 EEBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447319 466882436 /nfs/dbraw/zinc/88/24/36/466882436.db2.gz MJHWVSTUDLYZEO-CZUORRHYSA-N 0 3 328.372 2.235 20 5 EEBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000413176865 467184691 /nfs/dbraw/zinc/18/46/91/467184691.db2.gz APEALSNRYYTAKY-VXGBXAGGSA-N 0 3 326.372 2.430 20 5 EEBDHN O=C(CNc1ccc([N+](=O)[O-])cc1F)NCCN1CCCCCC1 ZINC000431488373 467519860 /nfs/dbraw/zinc/51/98/60/467519860.db2.gz ZMHKXYFHJKSYLJ-UHFFFAOYSA-N 0 3 338.383 2.138 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415293153 467536786 /nfs/dbraw/zinc/53/67/86/467536786.db2.gz IIFPMYSYCUWFNL-VXGBXAGGSA-N 0 3 336.392 2.446 20 5 EEBDHN C[C@H](CC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449142994 467620508 /nfs/dbraw/zinc/62/05/08/467620508.db2.gz PHOSXXLMRPVAMN-GFCCVEGCSA-N 0 3 343.449 2.287 20 5 EEBDHN CC[C@@H]1[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000497253016 467905926 /nfs/dbraw/zinc/90/59/26/467905926.db2.gz MGXQGZSFMMTBPV-GRYCIOLGSA-N 0 3 330.381 2.230 20 5 EEBDHN CN(Cc1ccccc1)C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000591729126 468512101 /nfs/dbraw/zinc/51/21/01/468512101.db2.gz ZFNIKNOCIIQYRS-SFHVURJKSA-N 0 3 329.400 2.177 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417633 468578783 /nfs/dbraw/zinc/57/87/83/468578783.db2.gz CXJQGJURVVHLLY-AAEUAGOBSA-N 0 3 335.408 2.017 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593355814 468948528 /nfs/dbraw/zinc/94/85/28/468948528.db2.gz JSBAPFQMHKTGAW-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN COc1ccc(CNC[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598988361 469077577 /nfs/dbraw/zinc/07/75/77/469077577.db2.gz QGHUCDYQTSSOLB-LBPRGKRZSA-N 0 3 329.347 2.423 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588365276 469144001 /nfs/dbraw/zinc/14/40/01/469144001.db2.gz LQEOACBVJNLZBS-OAHLLOKOSA-N 0 3 334.420 2.263 20 5 EEBDHN CN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC12CCCCC2 ZINC000596251472 469221620 /nfs/dbraw/zinc/22/16/20/469221620.db2.gz UASKHDOUYZAIQD-UHFFFAOYSA-N 0 3 332.404 2.148 20 5 EEBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000619566956 469640834 /nfs/dbraw/zinc/64/08/34/469640834.db2.gz CQXGBNQKWAPGSI-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000772576276 577283545 /nfs/dbraw/zinc/28/35/45/577283545.db2.gz DLCVPBQBWUPPGU-STQMWFEESA-N 0 3 347.444 2.259 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000776592285 577463743 /nfs/dbraw/zinc/46/37/43/577463743.db2.gz WIQDVQURSBJGGR-ZWKOTPCHSA-N 0 3 328.368 2.220 20 5 EEBDHN CC(=O)Nc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777444976 577479041 /nfs/dbraw/zinc/47/90/41/577479041.db2.gz CSSCXDUEWQIPQJ-QGZVFWFLSA-N 0 3 329.356 2.376 20 5 EEBDHN CC(=O)N1CCC(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000769483225 577578936 /nfs/dbraw/zinc/57/89/36/577578936.db2.gz NWUNPBONPICMNW-UHFFFAOYSA-N 0 3 347.415 2.449 20 5 EEBDHN Cc1c(CN[C@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095927 1198498408 /nfs/dbraw/zinc/49/84/08/1198498408.db2.gz RLZGGTWSJDQPPR-WMZOPIPTSA-N 0 3 330.384 2.477 20 5 EEBDHN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000876529748 1199658669 /nfs/dbraw/zinc/65/86/69/1199658669.db2.gz GXJCDOFIMSIUPT-SFHVURJKSA-N 0 3 349.431 2.158 20 5 EEBDHN CC(COC(=O)COc1ccc(Oc2ccccn2)cc1)[N+](=O)[O-] ZINC000813109263 1201121816 /nfs/dbraw/zinc/12/18/16/1201121816.db2.gz HMUFWMOREQUQKN-LBPRGKRZSA-N 0 3 332.312 2.461 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000078231742 1210118058 /nfs/dbraw/zinc/11/80/58/1210118058.db2.gz OSZXOHYGNLKXEF-LBPRGKRZSA-N 0 3 336.348 2.026 20 5 EEBDHN O=C(NCC1=CCN(Cc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675037 1240709773 /nfs/dbraw/zinc/70/97/73/1240709773.db2.gz QFHNSHXGOURWKO-GDBMZVCRSA-N 0 3 349.818 2.254 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097053149 1243631563 /nfs/dbraw/zinc/63/15/63/1243631563.db2.gz LOQZFUVKXZICFS-JOCQHMNTSA-N 0 3 338.383 2.135 20 5 EEBDHN COc1cc(CCNc2ccnc(CO)c2)c([N+](=O)[O-])cc1OC ZINC000858328419 1294085414 /nfs/dbraw/zinc/08/54/14/1294085414.db2.gz MHRSIGPWQQKVMO-UHFFFAOYSA-N 0 3 333.344 2.154 20 5 EEBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])cc3)C[C@H]1N2C ZINC001222791382 1299863790 /nfs/dbraw/zinc/86/37/90/1299863790.db2.gz PVBYFKYZUUETHQ-NXOAAHMSSA-N 0 3 334.372 2.278 20 5 EEBDHN CC(C)N(C)CC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001230374383 1303183118 /nfs/dbraw/zinc/18/31/18/1303183118.db2.gz URRFXOYXXKKRRP-UHFFFAOYSA-N 0 3 348.447 2.016 20 5 EEBDHN Cc1ccc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)n1C ZINC001233915873 1304639131 /nfs/dbraw/zinc/63/91/31/1304639131.db2.gz IIBYOPMFIOFBNA-UHFFFAOYSA-N 0 3 344.415 2.494 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC001119343687 1309053852 /nfs/dbraw/zinc/05/38/52/1309053852.db2.gz LHVPOFWFCIPTLV-WBVHZDCISA-N 0 3 342.399 2.178 20 5 EEBDHN Cc1ccc(CN2CCCN(c3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC001120014735 1309283424 /nfs/dbraw/zinc/28/34/24/1309283424.db2.gz OPFJYRRYHMTJIQ-UHFFFAOYSA-N 0 3 329.404 2.349 20 5 EEBDHN O=C(COC1CCCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155054881 1317435643 /nfs/dbraw/zinc/43/56/43/1317435643.db2.gz FRWADPXFBSKMGE-UHFFFAOYSA-N 0 3 341.433 2.211 20 5 EEBDHN Cc1cnccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157602657 1318737328 /nfs/dbraw/zinc/73/73/28/1318737328.db2.gz DXMJKPXECQYLRR-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001161885239 1320661856 /nfs/dbraw/zinc/66/18/56/1320661856.db2.gz KCOXUGRWBLOLDB-INIZCTEOSA-N 0 3 328.372 2.305 20 5 EEBDHN CC(C)c1ncc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001263501912 1322485158 /nfs/dbraw/zinc/48/51/58/1322485158.db2.gz GBXBGRKHLYXCDM-SSDOTTSWSA-N 0 3 332.154 2.185 20 5 EEBDHN CC(C)[N@@H+](C)C[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603319150 1350687289 /nfs/dbraw/zinc/68/72/89/1350687289.db2.gz LVWFDXSPKXTCJN-VIFPVBQESA-N 0 3 337.359 2.055 20 5 EEBDHN CC(C)[N@H+](C)C[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603319150 1350687292 /nfs/dbraw/zinc/68/72/92/1350687292.db2.gz LVWFDXSPKXTCJN-VIFPVBQESA-N 0 3 337.359 2.055 20 5 EEBDHN CC(C)[N@@H+](C)C[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603319150 1350687297 /nfs/dbraw/zinc/68/72/97/1350687297.db2.gz LVWFDXSPKXTCJN-VIFPVBQESA-N 0 3 337.359 2.055 20 5 EEBDHN CC(C)[N@H+](C)C[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603319150 1350687302 /nfs/dbraw/zinc/68/73/02/1350687302.db2.gz LVWFDXSPKXTCJN-VIFPVBQESA-N 0 3 337.359 2.055 20 5 EEBDHN CC[NH+](CC)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309965121 1331649582 /nfs/dbraw/zinc/64/95/82/1331649582.db2.gz HTOPDVHHKLPUHB-NSHDSACASA-N 0 3 347.412 2.133 20 5 EEBDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001318058817 1332466279 /nfs/dbraw/zinc/46/62/79/1332466279.db2.gz ANPSRZGXTIBMOL-CQSZACIVSA-N 0 3 335.404 2.484 20 5 EEBDHN CC(C)Oc1nc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659642 1338737485 /nfs/dbraw/zinc/73/74/85/1338737485.db2.gz OJBOVNCTEDHQPO-QWHCGFSZSA-N 0 3 336.392 2.052 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccnc([C@H]2CCCN2)n1 ZINC001580570319 1344539146 /nfs/dbraw/zinc/53/91/46/1344539146.db2.gz YKFLBGGDTLWNMI-GFCCVEGCSA-N 0 3 345.334 2.130 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001589321448 1348983081 /nfs/dbraw/zinc/98/30/81/1348983081.db2.gz CHDCBMAXDIGDKO-AWEZNQCLSA-N 0 3 346.391 2.212 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001589321448 1348983083 /nfs/dbraw/zinc/98/30/83/1348983083.db2.gz CHDCBMAXDIGDKO-AWEZNQCLSA-N 0 3 346.391 2.212 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256992 1349232419 /nfs/dbraw/zinc/23/24/19/1349232419.db2.gz OTAKNHYWQLBIJS-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256992 1349232427 /nfs/dbraw/zinc/23/24/27/1349232427.db2.gz OTAKNHYWQLBIJS-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590256992 1349232435 /nfs/dbraw/zinc/23/24/35/1349232435.db2.gz OTAKNHYWQLBIJS-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590256992 1349232440 /nfs/dbraw/zinc/23/24/40/1349232440.db2.gz OTAKNHYWQLBIJS-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593477885 1349810913 /nfs/dbraw/zinc/81/09/13/1349810913.db2.gz IOXRZONPUPNJCX-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593477885 1349810915 /nfs/dbraw/zinc/81/09/15/1349810915.db2.gz IOXRZONPUPNJCX-UHFFFAOYSA-N 0 3 343.391 2.204 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063341 1350844268 /nfs/dbraw/zinc/84/42/68/1350844268.db2.gz YDYQGLQHBFCQPN-ZFWWWQNUSA-N 0 3 346.391 2.212 20 5 EEBDHN CC[C@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063341 1350844270 /nfs/dbraw/zinc/84/42/70/1350844270.db2.gz YDYQGLQHBFCQPN-ZFWWWQNUSA-N 0 3 346.391 2.212 20 5 EEBDHN CCCC[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001604182601 1350887523 /nfs/dbraw/zinc/88/75/23/1350887523.db2.gz JMVOEKNNOLGBOF-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCCC[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001604182601 1350887528 /nfs/dbraw/zinc/88/75/28/1350887528.db2.gz JMVOEKNNOLGBOF-UHFFFAOYSA-N 0 3 345.407 2.451 20 5 EEBDHN CCN(CC)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110591618 1369076319 /nfs/dbraw/zinc/07/63/19/1369076319.db2.gz PTIHWRJYOFDMQM-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(Cl)nc1 ZINC000783911174 1371374571 /nfs/dbraw/zinc/37/45/71/1371374571.db2.gz YCVWOBOXWWDJHA-LBPRGKRZSA-N 0 3 337.763 2.173 20 5 EEBDHN C[S@@](=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137359 785419041 /nfs/dbraw/zinc/41/90/41/785419041.db2.gz BFZCQMMUQMALPK-WAIKUNEKSA-N 0 3 334.397 2.155 20 5 EEBDHN O=C1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173267 785447656 /nfs/dbraw/zinc/44/76/56/785447656.db2.gz LMWCUQAGIKIKHD-WMLDXEAASA-N 0 3 347.415 2.151 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(CN(C)C)c1 ZINC000821620963 786825576 /nfs/dbraw/zinc/82/55/76/786825576.db2.gz BENHIBVAHKRVPY-UHFFFAOYSA-N 0 3 332.360 2.018 20 5 EEBDHN CCn1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845881600 789973611 /nfs/dbraw/zinc/97/36/11/789973611.db2.gz LRUKSYKYHYZJQA-QMTHXVAHSA-N 0 3 336.323 2.309 20 5 EEBDHN CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106777400 796515383 /nfs/dbraw/zinc/51/53/83/796515383.db2.gz SZFQRVPLYBADMN-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN O=C1COc2ccccc2CN1CCNCc1cccc([N+](=O)[O-])c1 ZINC000922463588 801115223 /nfs/dbraw/zinc/11/52/23/801115223.db2.gz TYEPECVKIIZIDU-UHFFFAOYSA-N 0 3 341.367 2.106 20 5 EEBDHN Cc1conc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086247671 802596459 /nfs/dbraw/zinc/59/64/59/802596459.db2.gz BJLQJPVKBYKSED-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC001086291965 802680164 /nfs/dbraw/zinc/68/01/64/802680164.db2.gz HAOGPUIQQWZAPY-SAZUREKKSA-N 0 3 347.415 2.006 20 5 EEBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011090 803570669 /nfs/dbraw/zinc/57/06/69/803570669.db2.gz IGOTZMLFKBZOSL-XUXIUFHCSA-N 0 3 325.409 2.125 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001130860642 812121885 /nfs/dbraw/zinc/12/18/85/812121885.db2.gz LTYAZIVRYUZGNG-UHFFFAOYSA-N 0 3 340.339 2.256 20 5 EEBDHN COCCCN(C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189906121 237387703 /nfs/dbraw/zinc/38/77/03/237387703.db2.gz NWSFWUIDYJLAML-UHFFFAOYSA-N 0 3 337.420 2.416 20 5 EEBDHN COc1cc(CNCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072712977 216297404 /nfs/dbraw/zinc/29/74/04/216297404.db2.gz UEDRFQDGMUSCPC-UHFFFAOYSA-N 0 3 332.356 2.264 20 5 EEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1N(C)CCCC1(C)C ZINC000447807835 242320632 /nfs/dbraw/zinc/32/06/32/242320632.db2.gz RQFFPUXQKKYACR-OAHLLOKOSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262735396 245153523 /nfs/dbraw/zinc/15/35/23/245153523.db2.gz CKUDBCWLJHEJKF-WDEREUQCSA-N 0 3 341.795 2.226 20 5 EEBDHN CCOC[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712261 245218228 /nfs/dbraw/zinc/21/82/28/245218228.db2.gz WEVNPJBQIQCEJD-CVEARBPZSA-N 0 3 338.404 2.226 20 5 EEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000492072065 246288188 /nfs/dbraw/zinc/28/81/88/246288188.db2.gz HZPPUFXCSKGLSX-VKWCSIGYSA-N 0 3 333.363 2.489 20 5 EEBDHN CCOC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496235006 247395472 /nfs/dbraw/zinc/39/54/72/247395472.db2.gz QPHKEQJYCCMLHQ-HZMBPMFUSA-N 0 3 342.323 2.211 20 5 EEBDHN C[C@@H]1C[C@H](c2ccccc2F)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266571889 248365718 /nfs/dbraw/zinc/36/57/18/248365718.db2.gz DBZAEFXEXNRKOT-SUYBPPKGSA-N 0 3 348.378 2.374 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000267988849 256102569 /nfs/dbraw/zinc/10/25/69/256102569.db2.gz PRJVPOXGPUWMIL-JSGCOSHPSA-N 0 3 342.399 2.291 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000273366071 256290040 /nfs/dbraw/zinc/29/00/40/256290040.db2.gz KHDFEGWVIZORPP-GFCCVEGCSA-N 0 3 331.376 2.316 20 5 EEBDHN Cc1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273178947 256273723 /nfs/dbraw/zinc/27/37/23/256273723.db2.gz LLPMOGMUEQHQHH-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000273504452 256302510 /nfs/dbraw/zinc/30/25/10/256302510.db2.gz VWXLZORWPJGXHJ-CHWSQXEVSA-N 0 3 342.396 2.243 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083026927 159160421 /nfs/dbraw/zinc/16/04/21/159160421.db2.gz WKQOUSVZYQECEU-OKILXGFUSA-N 0 3 335.404 2.214 20 5 EEBDHN CC(C)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000190148506 160155738 /nfs/dbraw/zinc/15/57/38/160155738.db2.gz ZRKMYHCKZHEFMO-UHFFFAOYSA-N 0 3 349.431 2.152 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000245393479 160231035 /nfs/dbraw/zinc/23/10/35/160231035.db2.gz DAHQWHLJYLVXQQ-CZUORRHYSA-N 0 3 332.404 2.092 20 5 EEBDHN O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343704960 161160344 /nfs/dbraw/zinc/16/03/44/161160344.db2.gz WXKDHJRVHCZCAU-UHFFFAOYSA-N 0 3 346.362 2.456 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CC[C@H](CO)O2)o1 ZINC000353715924 162665727 /nfs/dbraw/zinc/66/57/27/162665727.db2.gz XRWZKKNGBUIYDJ-TZMCWYRMSA-N 0 3 332.356 2.484 20 5 EEBDHN CN(C)CCN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000359604517 164135232 /nfs/dbraw/zinc/13/52/32/164135232.db2.gz XHQVKKLMRLCIIJ-UHFFFAOYSA-N 0 3 349.309 2.170 20 5 EEBDHN CCOc1cccc(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000359709544 164157412 /nfs/dbraw/zinc/15/74/12/164157412.db2.gz VAUBDYIMZHZXBL-CQSZACIVSA-N 0 3 337.420 2.498 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375757873 167186974 /nfs/dbraw/zinc/18/69/74/167186974.db2.gz MUXNWYIYRVOCII-GOEBONIOSA-N 0 3 346.431 2.400 20 5 EEBDHN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1=CCN(C)CC1 ZINC000272740310 269015434 /nfs/dbraw/zinc/01/54/34/269015434.db2.gz CSPVSVQYKCONFH-NSHDSACASA-N 0 3 328.372 2.456 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000274451780 269034080 /nfs/dbraw/zinc/03/40/80/269034080.db2.gz IXANSEJEOHYNCU-NSHDSACASA-N 0 3 327.816 2.081 20 5 EEBDHN Cc1c(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000275098393 269095016 /nfs/dbraw/zinc/09/50/16/269095016.db2.gz KASANWMWPSEREB-LBPRGKRZSA-N 0 3 345.321 2.404 20 5 EEBDHN COc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1[N+](=O)[O-] ZINC000275576581 269126276 /nfs/dbraw/zinc/12/62/76/269126276.db2.gz CJSVYMKVWSYHND-UHFFFAOYSA-N 0 3 346.387 2.472 20 5 EEBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(N)c2F)CCCO1 ZINC000277581016 269161846 /nfs/dbraw/zinc/16/18/46/269161846.db2.gz BVLBULSXDWJDAK-NSHDSACASA-N 0 3 326.372 2.229 20 5 EEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000277643136 269166792 /nfs/dbraw/zinc/16/67/92/269166792.db2.gz YEVPOMOFRPXPDE-CYBMUJFWSA-N 0 3 343.387 2.218 20 5 EEBDHN CN1CC=C(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279856918 269311961 /nfs/dbraw/zinc/31/19/61/269311961.db2.gz POPZHGWANVRZMY-UHFFFAOYSA-N 0 3 341.770 2.308 20 5 EEBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894460 274119048 /nfs/dbraw/zinc/11/90/48/274119048.db2.gz CFRDROMBARUZHS-DANNLKNASA-N 0 3 345.399 2.469 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000271843158 274158341 /nfs/dbraw/zinc/15/83/41/274158341.db2.gz WIGIMVLNMWBDSF-AWEZNQCLSA-N 0 3 336.779 2.085 20 5 EEBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc21 ZINC000419002699 274348857 /nfs/dbraw/zinc/34/88/57/274348857.db2.gz PWLLGJNQRNEWDB-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1ccc(CN[C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278542767 274369475 /nfs/dbraw/zinc/36/94/75/274369475.db2.gz XSYZAXWBBBZWNC-HNNXBMFYSA-N 0 3 329.404 2.395 20 5 EEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987405 274824624 /nfs/dbraw/zinc/82/46/24/274824624.db2.gz XNLAIQWMXQJWAD-DGCLKSJQSA-N 0 3 347.371 2.022 20 5 EEBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075905 274834006 /nfs/dbraw/zinc/83/40/06/274834006.db2.gz JWFGREZPOFDCIM-ZYHUDNBSSA-N 0 3 341.795 2.327 20 5 EEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(CC2CCCCC2)CC1 ZINC000420582416 274941221 /nfs/dbraw/zinc/94/12/21/274941221.db2.gz ISHMANRSPITJIC-UHFFFAOYSA-N 0 3 346.431 2.396 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccncc21 ZINC000375777082 275036395 /nfs/dbraw/zinc/03/63/95/275036395.db2.gz PXBABRTVCFNWJN-QZTJIDSGSA-N 0 3 342.399 2.178 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290150362 275184533 /nfs/dbraw/zinc/18/45/33/275184533.db2.gz CQEQGYUFCMEBQP-HNNXBMFYSA-N 0 3 340.445 2.329 20 5 EEBDHN CN(C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290840307 275245240 /nfs/dbraw/zinc/24/52/40/275245240.db2.gz VWUJIJWPKSQCMI-NSHDSACASA-N 0 3 345.193 2.191 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000292168741 275387498 /nfs/dbraw/zinc/38/74/98/275387498.db2.gz JTYUFKMGWYXSKW-SFHVURJKSA-N 0 3 340.383 2.311 20 5 EEBDHN Cc1c(CC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000294163143 293385883 /nfs/dbraw/zinc/38/58/83/293385883.db2.gz OBUUFKGIZGBSMT-SFHVURJKSA-N 0 3 331.416 2.390 20 5 EEBDHN COC(=O)Cc1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448676 294247021 /nfs/dbraw/zinc/24/70/21/294247021.db2.gz JFPQONIUENUFNQ-DGCLKSJQSA-N 0 3 333.388 2.347 20 5 EEBDHN CCN1CCC(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000299209424 294687646 /nfs/dbraw/zinc/68/76/46/294687646.db2.gz FHMHHPLWTSVJCG-UHFFFAOYSA-N 0 3 335.404 2.273 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301158 313477053 /nfs/dbraw/zinc/47/70/53/313477053.db2.gz ACNKWJMVETUMAH-MLGOLLRUSA-N 0 3 338.429 2.387 20 5 EEBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408267 315960616 /nfs/dbraw/zinc/96/06/16/315960616.db2.gz AZVQLZJUVTUAMU-HIFRSBDPSA-N 0 3 341.795 2.327 20 5 EEBDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225682 318053204 /nfs/dbraw/zinc/05/32/04/318053204.db2.gz JHKFQAKGBHGGII-DZGCQCFKSA-N 0 3 348.403 2.290 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547269580 318276610 /nfs/dbraw/zinc/27/66/10/318276610.db2.gz WHPRFZDZEVPVEW-GFCCVEGCSA-N 0 3 337.395 2.470 20 5 EEBDHN C[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095611 319546022 /nfs/dbraw/zinc/54/60/22/319546022.db2.gz FYNHFUQWCBUKTR-STQMWFEESA-N 0 3 326.418 2.394 20 5 EEBDHN NC(=O)COc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577506669 320259839 /nfs/dbraw/zinc/25/98/39/320259839.db2.gz CZWMACSKAMRBLA-INIZCTEOSA-N 0 3 341.367 2.236 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000182500947 323377274 /nfs/dbraw/zinc/37/72/74/323377274.db2.gz GZJBTFZASCCWHC-GDBMZVCRSA-N 0 3 332.404 2.221 20 5 EEBDHN CN1CCC(n2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])n2)CC1 ZINC000601537332 450058398 /nfs/dbraw/zinc/05/83/98/450058398.db2.gz XCYSIJVUDZPOEC-UHFFFAOYSA-N 0 3 347.350 2.449 20 5 EEBDHN CC(=O)NCC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000347668521 465159817 /nfs/dbraw/zinc/15/98/17/465159817.db2.gz RFBJOINIDLFKDR-HNNXBMFYSA-N 0 3 335.404 2.212 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337326127 465306105 /nfs/dbraw/zinc/30/61/05/465306105.db2.gz VWAZSGOJAXGXDI-UONOGXRCSA-N 0 3 334.420 2.338 20 5 EEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337326128 465306441 /nfs/dbraw/zinc/30/64/41/465306441.db2.gz VWAZSGOJAXGXDI-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000045753681 462614828 /nfs/dbraw/zinc/61/48/28/462614828.db2.gz WSULQHVQTNLGRU-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000088250813 462619625 /nfs/dbraw/zinc/61/96/25/462619625.db2.gz NXVNLBYHYADSJE-UHFFFAOYSA-N 0 3 347.371 2.157 20 5 EEBDHN Cn1cc([C@H](CO)N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000090884766 462814479 /nfs/dbraw/zinc/81/44/79/462814479.db2.gz QVBNBBYHPZJFAS-COXVUDFISA-N 0 3 344.415 2.363 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(CC2CC2)C1 ZINC000132130931 462842529 /nfs/dbraw/zinc/84/25/29/462842529.db2.gz ASRLNUSAUVPTTI-AWEZNQCLSA-N 0 3 342.399 2.219 20 5 EEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121013765 463066514 /nfs/dbraw/zinc/06/65/14/463066514.db2.gz UQDIYSVGAHLAQB-LBPRGKRZSA-N 0 3 328.372 2.357 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000157250955 463112655 /nfs/dbraw/zinc/11/26/55/463112655.db2.gz RFIHDLJXCKNSCB-GDBMZVCRSA-N 0 3 346.431 2.340 20 5 EEBDHN CN(C)CCOc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000053992086 463201794 /nfs/dbraw/zinc/20/17/94/463201794.db2.gz MQGRAVAQXBOQKB-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069857401 463340826 /nfs/dbraw/zinc/34/08/26/463340826.db2.gz OTSZIHWGLVBZFO-KRWDZBQOSA-N 0 3 333.432 2.182 20 5 EEBDHN CCN1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124668369 463449966 /nfs/dbraw/zinc/44/99/66/463449966.db2.gz XJJBFRXXSWTZRV-UHFFFAOYSA-N 0 3 330.388 2.219 20 5 EEBDHN CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000041297879 463477355 /nfs/dbraw/zinc/47/73/55/463477355.db2.gz KUXAQSQMZUXXKU-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN Nc1nc(N[C@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000071952817 463478854 /nfs/dbraw/zinc/47/88/54/463478854.db2.gz VDNKLEKTASHWTM-ZDUSSCGKSA-N 0 3 328.376 2.044 20 5 EEBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341607 463636806 /nfs/dbraw/zinc/63/68/06/463636806.db2.gz VZGMOTIYIWINGK-UHFFFAOYSA-N 0 3 344.799 2.338 20 5 EEBDHN O=C(CCN1CCC(n2ccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000109793026 463649600 /nfs/dbraw/zinc/64/96/00/463649600.db2.gz OETSWRIBKPCMGT-UHFFFAOYSA-N 0 3 343.387 2.457 20 5 EEBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000126828460 463665191 /nfs/dbraw/zinc/66/51/91/463665191.db2.gz QYPAEBUDNKRTJH-NSHDSACASA-N 0 3 349.416 2.021 20 5 EEBDHN COCCN(C)c1ccc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000276939597 463813902 /nfs/dbraw/zinc/81/39/02/463813902.db2.gz GKFGDHGRMTXYLE-UHFFFAOYSA-N 0 3 344.415 2.405 20 5 EEBDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171455432 463867084 /nfs/dbraw/zinc/86/70/84/463867084.db2.gz JCZYCIIQTNEYMS-LBPRGKRZSA-N 0 3 348.359 2.122 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492334538 468382859 /nfs/dbraw/zinc/38/28/59/468382859.db2.gz BVGRETMLZFDSIV-ARBSDZIJSA-N 0 3 333.363 2.300 20 5 EEBDHN CNC(=O)c1ccc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269701454 464063482 /nfs/dbraw/zinc/06/34/82/464063482.db2.gz MCEJDOPRIAJJMB-KRWDZBQOSA-N 0 3 343.383 2.120 20 5 EEBDHN C[C@H](c1ccccc1)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274845 464182357 /nfs/dbraw/zinc/18/23/57/464182357.db2.gz SKZWMFLTCSNNDY-DYVFJYSZSA-N 0 3 327.384 2.385 20 5 EEBDHN C[C@@H](c1ccccc1)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274847 464182383 /nfs/dbraw/zinc/18/23/83/464182383.db2.gz SKZWMFLTCSNNDY-GUYCJALGSA-N 0 3 327.384 2.385 20 5 EEBDHN CN(Cc1cc(=O)oc2ccc3ccccc3c12)CC(C)(CO)CO ZINC000270345389 464252155 /nfs/dbraw/zinc/25/21/55/464252155.db2.gz QNNWCZUYNWDNOB-UHFFFAOYSA-N 0 3 341.407 2.369 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000173470733 464267291 /nfs/dbraw/zinc/26/72/91/464267291.db2.gz ACIKNCVFPJXTEW-DOTOQJQBSA-N 0 3 342.399 2.080 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912595 464269821 /nfs/dbraw/zinc/26/98/21/464269821.db2.gz SPZMHFAXCHDMOI-NHYWBVRUSA-N 0 3 340.383 2.356 20 5 EEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000272239967 464530950 /nfs/dbraw/zinc/53/09/50/464530950.db2.gz XIOPSUYTZGBAHG-ZDUSSCGKSA-N 0 3 335.404 2.162 20 5 EEBDHN CS[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000272417427 464600852 /nfs/dbraw/zinc/60/08/52/464600852.db2.gz ZQYMUSMCPXKTCA-KGLIPLIRSA-N 0 3 338.433 2.413 20 5 EEBDHN CC(C)C[C@@H](CN1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000294848240 464623265 /nfs/dbraw/zinc/62/32/65/464623265.db2.gz AVNAVBMWYMESBG-LBPRGKRZSA-N 0 3 335.408 2.011 20 5 EEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176163831 464711469 /nfs/dbraw/zinc/71/14/69/464711469.db2.gz ZNRZDZOTXCSVMF-JHJVBQTASA-N 0 3 334.420 2.273 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000176242740 464729346 /nfs/dbraw/zinc/72/93/46/464729346.db2.gz IZIJGMURXRZLEC-MRXNPFEDSA-N 0 3 330.388 2.163 20 5 EEBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176286389 464740131 /nfs/dbraw/zinc/74/01/31/464740131.db2.gz CDDKPMMOKNBXIW-INIZCTEOSA-N 0 3 343.431 2.388 20 5 EEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000286205036 464839059 /nfs/dbraw/zinc/83/90/59/464839059.db2.gz BREHEAWIMXFQCX-HOTGVXAUSA-N 0 3 347.415 2.229 20 5 EEBDHN C[C@H](CO)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276427165 464928254 /nfs/dbraw/zinc/92/82/54/464928254.db2.gz JGFRLXORNWRQSO-CYBMUJFWSA-N 0 3 335.404 2.183 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339765997 465498200 /nfs/dbraw/zinc/49/82/00/465498200.db2.gz ZKPPJVHMYDLGAJ-IAGOWNOFSA-N 0 3 336.388 2.013 20 5 EEBDHN Cc1c(Br)c(N2C[C@@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000252881186 464989047 /nfs/dbraw/zinc/98/90/47/464989047.db2.gz YPNKVQXGGCASTB-HTQZYQBOSA-N 0 3 329.198 2.247 20 5 EEBDHN CC(C)C[C@@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348007511 465367285 /nfs/dbraw/zinc/36/72/85/465367285.db2.gz PPBQWCVXIMEUIM-CYBMUJFWSA-N 0 3 343.449 2.145 20 5 EEBDHN CN(C)CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000356883743 465600537 /nfs/dbraw/zinc/60/05/37/465600537.db2.gz RNHATTITRKGADW-UHFFFAOYSA-N 0 3 332.404 2.335 20 5 EEBDHN Cc1cc(NC[C@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360934597 465643501 /nfs/dbraw/zinc/64/35/01/465643501.db2.gz NFMNMLFAVAKWTH-AWEZNQCLSA-N 0 3 331.372 2.073 20 5 EEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310783 468445427 /nfs/dbraw/zinc/44/54/27/468445427.db2.gz KBLMVQGXAPXCMC-UHFFFAOYSA-N 0 3 341.371 2.299 20 5 EEBDHN CSc1cccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000346304875 466078053 /nfs/dbraw/zinc/07/80/53/466078053.db2.gz YQGDXFCGLFQDFE-INIZCTEOSA-N 0 3 335.429 2.485 20 5 EEBDHN CC(C)(O)CN1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302217263 466121671 /nfs/dbraw/zinc/12/16/71/466121671.db2.gz KALLCHMLNHBZDT-UHFFFAOYSA-N 0 3 343.387 2.257 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361784339 466287305 /nfs/dbraw/zinc/28/73/05/466287305.db2.gz DADCHYUNKQIMPV-HNNXBMFYSA-N 0 3 348.447 2.412 20 5 EEBDHN COc1c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000332082383 466376258 /nfs/dbraw/zinc/37/62/58/466376258.db2.gz NZLHKWFOVGCWOG-TZMCWYRMSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC000347200000 466469773 /nfs/dbraw/zinc/46/97/73/466469773.db2.gz COAONOQRXIHOSA-CYBMUJFWSA-N 0 3 335.404 2.467 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332313129 466504023 /nfs/dbraw/zinc/50/40/23/466504023.db2.gz IGBBEQDZNFECHG-RYUDHWBXSA-N 0 3 328.372 2.356 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000347246797 466507158 /nfs/dbraw/zinc/50/71/58/466507158.db2.gz JOKROPJGOHCTFT-ZDUSSCGKSA-N 0 3 335.404 2.467 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332336424 466514806 /nfs/dbraw/zinc/51/48/06/466514806.db2.gz MEQGTUUUIVHLBS-WDEREUQCSA-N 0 3 344.371 2.061 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC(C)(C)O)CC1 ZINC000347310907 466552736 /nfs/dbraw/zinc/55/27/36/466552736.db2.gz GLGQCYAYKRERRI-RVDMUPIBSA-N 0 3 333.432 2.387 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808889 466596291 /nfs/dbraw/zinc/59/62/91/466596291.db2.gz VNHYWPXDSMRJGU-PEYYIBSZSA-N 0 3 333.388 2.387 20 5 EEBDHN CN1CCN(C)[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317853 466832088 /nfs/dbraw/zinc/83/20/88/466832088.db2.gz XNHRUVGIDKPPPI-SJLPKXTDSA-N 0 3 332.448 2.198 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2Cc3ccccc3C3(CCC3)C2)c1 ZINC000375687620 466861965 /nfs/dbraw/zinc/86/19/65/466861965.db2.gz GIKZFCLEPCIPNU-INIZCTEOSA-N 0 3 342.399 2.090 20 5 EEBDHN O=C1[C@H](NC2(C3CC3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375695887 466865270 /nfs/dbraw/zinc/86/52/70/466865270.db2.gz CWLPTLIREILPPD-MRXNPFEDSA-N 0 3 345.399 2.249 20 5 EEBDHN COC(=O)[C@H]1CN(C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000411908952 466930226 /nfs/dbraw/zinc/93/02/26/466930226.db2.gz FDAUJLBUTMPGLY-KGLIPLIRSA-N 0 3 335.404 2.001 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000373975962 466988196 /nfs/dbraw/zinc/98/81/96/466988196.db2.gz JCOSHHGJCINBOG-IAGOWNOFSA-N 0 3 349.431 2.336 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000432136678 467219069 /nfs/dbraw/zinc/21/90/69/467219069.db2.gz DNMMLUKCQYUGCP-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN CCS(=O)(=O)CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000413572004 467269143 /nfs/dbraw/zinc/26/91/43/467269143.db2.gz JGZSLQIXCQIYEA-UHFFFAOYSA-N 0 3 337.401 2.110 20 5 EEBDHN CO[C@@H]1COCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456266 467648203 /nfs/dbraw/zinc/64/82/03/467648203.db2.gz MFWJFMCHFRTNNE-QMTHXVAHSA-N 0 3 346.330 2.337 20 5 EEBDHN Cc1cc(OCC(=O)NCCN2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457046339 467738539 /nfs/dbraw/zinc/73/85/39/467738539.db2.gz BUMNHMWKKTUWDN-UHFFFAOYSA-N 0 3 335.404 2.273 20 5 EEBDHN C[C@@H]1CN(CCCNc2nccc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000450486208 467857978 /nfs/dbraw/zinc/85/79/78/467857978.db2.gz KRUKDJNJSBKZLM-CQSZACIVSA-N 0 3 344.415 3.056 20 5 EEBDHN COC(=O)c1cc(N2CCN(C)[C@@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000487107528 468023055 /nfs/dbraw/zinc/02/30/55/468023055.db2.gz CMSYEDGGUBOIBH-OAHLLOKOSA-N 0 3 335.404 2.466 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195154 468507896 /nfs/dbraw/zinc/50/78/96/468507896.db2.gz CMDRULAZNYWQNF-LSDHHAIUSA-N 0 3 335.379 2.410 20 5 EEBDHN Cc1c(CNC[C@@H](O)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763484 468517422 /nfs/dbraw/zinc/51/74/22/468517422.db2.gz LNGBZIRQAMVGOT-GOSISDBHSA-N 0 3 343.427 2.486 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3cccnc3)C2)c1 ZINC000592140012 468633891 /nfs/dbraw/zinc/63/38/91/468633891.db2.gz SYENEIWQCWTTSX-DOTOQJQBSA-N 0 3 343.383 2.219 20 5 EEBDHN CNc1ccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597716738 468648594 /nfs/dbraw/zinc/64/85/94/468648594.db2.gz TVHYWTRHMPWMAK-QGZVFWFLSA-N 0 3 332.404 2.194 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(N2CCOCC2)CC1 ZINC000595053129 468750034 /nfs/dbraw/zinc/75/00/34/468750034.db2.gz ZVOZFCXQNVXROY-ZDUSSCGKSA-N 0 3 335.404 2.119 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCCN(C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000601190107 468776354 /nfs/dbraw/zinc/77/63/54/468776354.db2.gz ZSSUCNLIKKQZLI-LBPRGKRZSA-N 0 3 336.392 2.087 20 5 EEBDHN CCN1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000584485552 468884319 /nfs/dbraw/zinc/88/43/19/468884319.db2.gz JDJXQGFMKNYQSS-UHFFFAOYSA-N 0 3 347.462 2.204 20 5 EEBDHN CN(CCN1CCCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000593383185 468958788 /nfs/dbraw/zinc/95/87/88/468958788.db2.gz CHVVZRCDWYJUKS-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CCN1C[C@@H](CN(C)CCn2ccc([N+](=O)[O-])n2)Oc2ccccc21 ZINC000610484841 468981250 /nfs/dbraw/zinc/98/12/50/468981250.db2.gz OOUMUVMBPGNAKI-CQSZACIVSA-N 0 3 345.403 2.011 20 5 EEBDHN COc1cccc(C2(NCCn3cc([N+](=O)[O-])ccc3=O)CCC2)c1 ZINC000595850097 469043402 /nfs/dbraw/zinc/04/34/02/469043402.db2.gz LAJVUDVTXNKWSC-UHFFFAOYSA-N 0 3 343.383 2.434 20 5 EEBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915153 469048387 /nfs/dbraw/zinc/04/83/87/469048387.db2.gz IXGNUWSHAYYTMD-PELKAZGASA-N 0 3 342.783 2.483 20 5 EEBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596177178 469188057 /nfs/dbraw/zinc/18/80/57/469188057.db2.gz CMUWMMQDNUIJIQ-GXTWGEPZSA-N 0 3 338.477 2.427 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCC(C)CC2)n1 ZINC000596487957 469281967 /nfs/dbraw/zinc/28/19/67/469281967.db2.gz MGTUVUIOLGVCGH-LBPRGKRZSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@H](CN1CCC(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596487825 469282086 /nfs/dbraw/zinc/28/20/86/469282086.db2.gz KEIZTIMFVPTUGH-GFCCVEGCSA-N 0 3 345.403 2.776 20 5 EEBDHN CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000726585119 576277850 /nfs/dbraw/zinc/27/78/50/576277850.db2.gz MKWAUWIKMHFGMS-UHFFFAOYSA-N 0 3 332.360 2.195 20 5 EEBDHN COc1ccccc1OCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776270731 577456115 /nfs/dbraw/zinc/45/61/15/577456115.db2.gz GCYCYMWSKNYIBZ-HNNXBMFYSA-N 0 3 332.356 2.305 20 5 EEBDHN CCO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000932972142 676385403 /nfs/dbraw/zinc/38/54/03/676385403.db2.gz CIHAOUXSYRAYTB-ZDUSSCGKSA-N 0 3 335.360 2.004 20 5 EEBDHN Cn1ccc(C(=O)N[C@H]2C[C@H](CNCc3csc([N+](=O)[O-])c3)C2)c1 ZINC000983461395 682698883 /nfs/dbraw/zinc/69/88/83/682698883.db2.gz MBILGPOBEXKBMT-YEORSEQZSA-N 0 3 348.428 2.293 20 5 EEBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1cccc(C)c1 ZINC000893047251 683645097 /nfs/dbraw/zinc/64/50/97/683645097.db2.gz LAZJEURYNYPJKG-DUVNUKRYSA-N 0 3 334.372 2.113 20 5 EEBDHN CC(C)CN1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000054428648 690099009 /nfs/dbraw/zinc/09/90/09/690099009.db2.gz PVXNYHHKBFSAGR-UHFFFAOYSA-N 0 3 344.419 2.084 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000027752193 694367314 /nfs/dbraw/zinc/36/73/14/694367314.db2.gz PLOAMHLRVMKZLI-ZDUSSCGKSA-N 0 3 334.420 2.265 20 5 EEBDHN CC(C)S(=O)(=O)CCN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866357809 1201499303 /nfs/dbraw/zinc/49/93/03/1201499303.db2.gz FVEPBIQMQXSZCQ-LLVKDONJSA-N 0 3 332.397 2.078 20 5 EEBDHN CNC(=O)[C@H](CCSC)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358160 1201499944 /nfs/dbraw/zinc/49/99/44/1201499944.db2.gz HAQCBAQJUSBIQT-MFKMUULPSA-N 0 3 343.424 2.122 20 5 EEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[C@H]2CCCCN2C1=O ZINC000866369688 1201501525 /nfs/dbraw/zinc/50/15/25/1201501525.db2.gz NCZBZRFIFMHZDB-DFBGVHRSSA-N 0 3 335.379 2.408 20 5 EEBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000009917155 1205701734 /nfs/dbraw/zinc/70/17/34/1205701734.db2.gz DYKANVSJKCDCBL-UHFFFAOYSA-N 0 3 328.372 2.169 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H](N4CC=CC4)C3)c2)c1 ZINC000777956452 1206608059 /nfs/dbraw/zinc/60/80/59/1206608059.db2.gz HBGDLRDXWMQINR-GOSISDBHSA-N 0 3 339.399 2.362 20 5 EEBDHN C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCCC1 ZINC000778248665 1207965238 /nfs/dbraw/zinc/96/52/38/1207965238.db2.gz WWFVEPWZHDFWME-SNVBAGLBSA-N 0 3 349.416 2.204 20 5 EEBDHN CCN(CC)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096038243 1233839717 /nfs/dbraw/zinc/83/97/17/1233839717.db2.gz YKHTXOHFMVEILJ-UHFFFAOYSA-N 0 3 348.447 2.412 20 5 EEBDHN O=C(/C=C\C1CC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048746856 1238502440 /nfs/dbraw/zinc/50/24/40/1238502440.db2.gz YRORTIVETPBNEC-NBAKUHIDSA-N 0 3 341.411 2.451 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097184844 1243796927 /nfs/dbraw/zinc/79/69/27/1243796927.db2.gz MZPSZXGHDYCHNN-GASCZTMLSA-N 0 3 334.420 2.304 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097231200 1243857715 /nfs/dbraw/zinc/85/77/15/1243857715.db2.gz UMTMFCCPYNQMRE-OKILXGFUSA-N 0 3 334.420 2.384 20 5 EEBDHN C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626974 1278154848 /nfs/dbraw/zinc/15/48/48/1278154848.db2.gz PQZRCKMKJIBZAQ-RMLVOYDJSA-N 0 3 329.356 2.322 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC2(C1)CCOCC2 ZINC001147726166 1278404782 /nfs/dbraw/zinc/40/47/82/1278404782.db2.gz OZNKWURDTAGVDY-UHFFFAOYSA-N 0 3 347.415 2.007 20 5 EEBDHN CC(COC(=O)c1cc(Br)cc2c1OCCO2)[N+](=O)[O-] ZINC000851037603 1277447523 /nfs/dbraw/zinc/44/75/23/1277447523.db2.gz XTAZAESHFCJMBV-ZETCQYMHSA-N 0 3 346.133 2.042 20 5 EEBDHN CC[C@@H](C)CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111254846 1292361938 /nfs/dbraw/zinc/36/19/38/1292361938.db2.gz CWWGSCHZCDRMQC-OAHLLOKOSA-N 0 3 348.447 2.221 20 5 EEBDHN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc4c(s3)CCNC4)n2)n1C ZINC000854153821 1292649847 /nfs/dbraw/zinc/64/98/47/1292649847.db2.gz VQRUJJMJNIWRAZ-UHFFFAOYSA-N 0 3 346.372 2.061 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C ZINC000860447341 1294972695 /nfs/dbraw/zinc/97/26/95/1294972695.db2.gz JIHQMSUMCBKFGK-VXGBXAGGSA-N 0 3 343.836 2.366 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C ZINC000860447340 1294972892 /nfs/dbraw/zinc/97/28/92/1294972892.db2.gz JIHQMSUMCBKFGK-RYUDHWBXSA-N 0 3 343.836 2.366 20 5 EEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCN1CC[C@@H](O)C1 ZINC000862532083 1295869035 /nfs/dbraw/zinc/86/90/35/1295869035.db2.gz PBPPTXBXVRIROJ-LLVKDONJSA-N 0 3 334.203 2.058 20 5 EEBDHN CCOCCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222604871 1299721410 /nfs/dbraw/zinc/72/14/10/1299721410.db2.gz NCPZSYKTJJTXEN-UHFFFAOYSA-N 0 3 349.431 2.350 20 5 EEBDHN CCCN(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102198588 1300549449 /nfs/dbraw/zinc/54/94/49/1300549449.db2.gz FYIJXQLHYYAOKJ-CALCHBBNSA-N 0 3 346.431 2.116 20 5 EEBDHN C[C@@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000841856815 1315625397 /nfs/dbraw/zinc/62/53/97/1315625397.db2.gz BITAFLUOAYANTD-UWVGGRQHSA-N 0 3 326.784 2.140 20 5 EEBDHN CCc1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001153204058 1316790728 /nfs/dbraw/zinc/79/07/28/1316790728.db2.gz VESIFIWRCAEPRK-UHFFFAOYSA-N 0 3 334.401 2.133 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001155247427 1317519968 /nfs/dbraw/zinc/51/99/68/1317519968.db2.gz HJSWLXATRPZDQM-VIFPVBQESA-N 0 3 341.327 2.135 20 5 EEBDHN O=C(/C=C/c1ccc[nH]1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157073852 1318383691 /nfs/dbraw/zinc/38/36/91/1318383691.db2.gz GWWFQKWDAFPVMR-SNAWJCMRSA-N 0 3 334.401 2.294 20 5 EEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001157987504 1318960591 /nfs/dbraw/zinc/96/05/91/1318960591.db2.gz ZHJWDSBNOIIBHU-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001163978362 1321261497 /nfs/dbraw/zinc/26/14/97/1321261497.db2.gz ZABAHKCMFKFVIY-UHFFFAOYSA-N 0 3 342.812 2.493 20 5 EEBDHN O=[N+]([O-])c1cc(C(F)(F)n2cnc3c2CNCC3)cnc1Cl ZINC001164310141 1321346588 /nfs/dbraw/zinc/34/65/88/1321346588.db2.gz JDZWAZKAQDDEDM-UHFFFAOYSA-N 0 3 329.694 2.083 20 5 EEBDHN Cc1ccc(CN2CCCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001306919913 1331499099 /nfs/dbraw/zinc/49/90/99/1331499099.db2.gz JNVZEXGNXYPVRG-UHFFFAOYSA-N 0 3 329.404 2.349 20 5 EEBDHN Nc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC001310991963 1331740875 /nfs/dbraw/zinc/74/08/75/1331740875.db2.gz IHOOVTSYFXBOLA-ZDUSSCGKSA-N 0 3 333.392 2.315 20 5 EEBDHN N[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001327086768 1334218941 /nfs/dbraw/zinc/21/89/41/1334218941.db2.gz GYJMSYZNLKPDQY-KRWDZBQOSA-N 0 3 346.431 2.151 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC2(CCCCC2)C1 ZINC001327250674 1334253303 /nfs/dbraw/zinc/25/33/03/1334253303.db2.gz HYZZJYTZIAFITL-UHFFFAOYSA-N 0 3 332.404 2.385 20 5 EEBDHN CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121720005 1371918890 /nfs/dbraw/zinc/91/88/90/1371918890.db2.gz LECVGLQLQHLCLC-NWDGAFQWSA-N 0 3 347.423 2.120 20 5 EEBDHN Cc1cccc(-c2nnc3n2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC3)c1 ZINC000835457160 1372626035 /nfs/dbraw/zinc/62/60/35/1372626035.db2.gz XKBLMLUYGJAYOF-GXTWGEPZSA-N 0 3 344.371 2.024 20 5 EEBDHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1)C1CCC1 ZINC001755092392 1407106299 /nfs/dbraw/zinc/10/62/99/1407106299.db2.gz JJQRCVWMHDNQKZ-UHFFFAOYSA-N 0 3 347.415 2.150 20 5 EEBDHN COc1cc2ncnc(N3C[C@H](C)N(C)C[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164642509 719202255 /nfs/dbraw/zinc/20/22/55/719202255.db2.gz WAZMNJJEVHNCSB-WDEREUQCSA-N 0 3 331.376 2.075 20 5 EEBDHN CCCSC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563269 770779428 /nfs/dbraw/zinc/77/94/28/770779428.db2.gz MJSNKSIVRJAGGL-LBPRGKRZSA-N 0 3 346.474 2.490 20 5 EEBDHN CC(C)(C)OCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156831692 805855111 /nfs/dbraw/zinc/85/51/11/805855111.db2.gz HOHBKLOXMHZHSD-UHFFFAOYSA-N 0 3 329.422 2.067 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845668673 789915705 /nfs/dbraw/zinc/91/57/05/789915705.db2.gz YFTPOGHVCXGGBH-ZDUSSCGKSA-N 0 3 344.371 2.422 20 5 EEBDHN CSCC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997521387 790158403 /nfs/dbraw/zinc/15/84/03/790158403.db2.gz VMVBPQPKHRYGTD-UHFFFAOYSA-N 0 3 343.474 2.348 20 5 EEBDHN CCCc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001147712886 791921668 /nfs/dbraw/zinc/92/16/68/791921668.db2.gz ZEQNTPKWMJLERV-UHFFFAOYSA-N 0 3 332.360 2.055 20 5 EEBDHN Cc1cc(NCCNC(=O)CN2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001094140354 795958255 /nfs/dbraw/zinc/95/82/55/795958255.db2.gz IDPUUZIAZKJVGJ-UHFFFAOYSA-N 0 3 334.420 2.163 20 5 EEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cnccn2)C1 ZINC001173238542 797324658 /nfs/dbraw/zinc/32/46/58/797324658.db2.gz VEDZVOPOPPXQSA-CJNGLKHVSA-N 0 3 328.372 2.469 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001095228680 797552941 /nfs/dbraw/zinc/55/29/41/797552941.db2.gz QJWYJHQKYDMXPT-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001095233881 797565823 /nfs/dbraw/zinc/56/58/23/797565823.db2.gz XCWJJIPLWNRNKF-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC[C@@H](CN1CCOCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922589046 801416063 /nfs/dbraw/zinc/41/60/63/801416063.db2.gz GIKBXWQDWWYLQR-AWEZNQCLSA-N 0 3 327.812 2.449 20 5 EEBDHN C[NH+](C)CCOc1cc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001169733022 804019447 /nfs/dbraw/zinc/01/94/47/804019447.db2.gz QXOMDVAFAFYXEK-UHFFFAOYSA-N 0 3 332.360 2.248 20 5 EEBDHN COc1ccc(C[C@@H](C)N[C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329236 809893950 /nfs/dbraw/zinc/89/39/50/809893950.db2.gz YBHZRMSMMWFOAD-WBMJQRKESA-N 0 3 331.372 2.253 20 5 EEBDHN CN1CCC(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173424003 530047685 /nfs/dbraw/zinc/04/76/85/530047685.db2.gz AHQMTHUYLMBHRJ-UHFFFAOYSA-N 0 3 347.415 2.306 20 5 EEBDHN CN(CC1CCN(C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000103451071 219300642 /nfs/dbraw/zinc/30/06/42/219300642.db2.gz WOEHCBJVIQGJGI-UHFFFAOYSA-N 0 3 330.388 2.490 20 5 EEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184335521 235370495 /nfs/dbraw/zinc/37/04/95/235370495.db2.gz XTUAWXUJDLKQRE-UHFFFAOYSA-N 0 3 342.399 2.381 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186982747 236086244 /nfs/dbraw/zinc/08/62/44/236086244.db2.gz LTYZJRGLLICDNF-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109804596 219993792 /nfs/dbraw/zinc/99/37/92/219993792.db2.gz JXZGBXCGHYQKBE-GFCCVEGCSA-N 0 3 340.811 2.213 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451598223 243171635 /nfs/dbraw/zinc/17/16/35/243171635.db2.gz DVDCMADOJSBSFA-MAUKXSAKSA-N 0 3 347.415 2.228 20 5 EEBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN(Cc2ccccc2)C1 ZINC000451714871 243223342 /nfs/dbraw/zinc/22/33/42/243223342.db2.gz WAYABYRSYXUZGR-HNNXBMFYSA-N 0 3 343.431 2.282 20 5 EEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738081 245229861 /nfs/dbraw/zinc/22/98/61/245229861.db2.gz AAGHEJOMTVFSER-ZIAGYGMSSA-N 0 3 333.388 2.389 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065894 248072920 /nfs/dbraw/zinc/07/29/20/248072920.db2.gz WPCZVPARPGOKFC-QOWREQOWSA-N 0 3 333.388 2.325 20 5 EEBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000117339177 221054773 /nfs/dbraw/zinc/05/47/73/221054773.db2.gz ADLBOKNDWLYOKP-LLVKDONJSA-N 0 3 337.401 2.330 20 5 EEBDHN COc1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271055937 256203013 /nfs/dbraw/zinc/20/30/13/256203013.db2.gz UUBMLKZGKRIRAH-GFCCVEGCSA-N 0 3 335.404 2.406 20 5 EEBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137634 256211644 /nfs/dbraw/zinc/21/16/44/256211644.db2.gz NPWMZRNVXUKWDU-HIFRSBDPSA-N 0 3 337.420 2.365 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000119977854 292250038 /nfs/dbraw/zinc/25/00/38/292250038.db2.gz GFZZAZSKVYHMHQ-GQCTYLIASA-N 0 3 347.350 2.144 20 5 EEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191830516 152277285 /nfs/dbraw/zinc/27/72/85/152277285.db2.gz YOXIPKCQGZQWOF-DOMZBBRYSA-N 0 3 349.387 2.054 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000249747202 160384935 /nfs/dbraw/zinc/38/49/35/160384935.db2.gz ODKBNDBWDZUCLX-HZSPNIEDSA-N 0 3 334.420 2.384 20 5 EEBDHN CCOc1ccc([C@H](C)NCC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090661695 159198438 /nfs/dbraw/zinc/19/84/38/159198438.db2.gz YTTPSDWOSVQAGC-ZDUSSCGKSA-N 0 3 338.404 2.433 20 5 EEBDHN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000341600364 161000317 /nfs/dbraw/zinc/00/03/17/161000317.db2.gz VGEMULRSBFMYKT-GFCCVEGCSA-N 0 3 326.418 2.460 20 5 EEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000342227103 161049029 /nfs/dbraw/zinc/04/90/29/161049029.db2.gz XUEWXTLFVQENNE-NRUITVPNSA-N 0 3 338.429 2.413 20 5 EEBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000343047589 161098144 /nfs/dbraw/zinc/09/81/44/161098144.db2.gz CXENMAKFSICTGV-UHFFFAOYSA-N 0 3 330.344 2.183 20 5 EEBDHN Cc1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000343057148 161098888 /nfs/dbraw/zinc/09/88/88/161098888.db2.gz QWWXOQGKQFRWIV-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCSC1 ZINC000359739659 164163518 /nfs/dbraw/zinc/16/35/18/164163518.db2.gz LXQUMERTKFYFEJ-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN O=C1CCCN1C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000363525401 164905446 /nfs/dbraw/zinc/90/54/46/164905446.db2.gz NYYQCIFYTZGLPW-MRXNPFEDSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272768726 269018428 /nfs/dbraw/zinc/01/84/28/269018428.db2.gz PTOALRWLVCZAIC-CYBMUJFWSA-N 0 3 332.404 2.087 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000278652185 269239297 /nfs/dbraw/zinc/23/92/97/269239297.db2.gz IHHBAHSALBJWPR-OLZOCXBDSA-N 0 3 333.388 2.363 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894459 274119115 /nfs/dbraw/zinc/11/91/15/274119115.db2.gz CFRDROMBARUZHS-AEAUEXCSSA-N 0 3 345.399 2.469 20 5 EEBDHN CN1CC=C(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000271793614 274153328 /nfs/dbraw/zinc/15/33/28/274153328.db2.gz JOLUKWBWWAKRIK-UHFFFAOYSA-N 0 3 327.182 2.426 20 5 EEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271798940 274154254 /nfs/dbraw/zinc/15/42/54/274154254.db2.gz OSECETHPYWDQJK-AWEZNQCLSA-N 0 3 338.795 2.331 20 5 EEBDHN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272750024 274180723 /nfs/dbraw/zinc/18/07/23/274180723.db2.gz NJJQPFZTIMTLPG-CYBMUJFWSA-N 0 3 332.404 2.087 20 5 EEBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342419987 274213194 /nfs/dbraw/zinc/21/31/94/274213194.db2.gz RXWFQGLNMBOVGB-ZDUSSCGKSA-N 0 3 330.388 2.184 20 5 EEBDHN C[NH+](C)CCc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275735386 274261738 /nfs/dbraw/zinc/26/17/38/274261738.db2.gz ANERPJCEEWXXCV-UHFFFAOYSA-N 0 3 330.344 2.052 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285487057 274740116 /nfs/dbraw/zinc/74/01/16/274740116.db2.gz IKQNKUYQIAYBNY-CPUCHLNUSA-N 0 3 346.431 2.480 20 5 EEBDHN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000294952404 293589761 /nfs/dbraw/zinc/58/97/61/293589761.db2.gz AXXDCXROAMNLMQ-LBPRGKRZSA-N 0 3 346.387 2.110 20 5 EEBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000355374582 312395256 /nfs/dbraw/zinc/39/52/56/312395256.db2.gz VJDQEBFLFMIJKR-ZENOOKHLSA-N 0 3 333.388 2.105 20 5 EEBDHN C[C@@H]1C[C@H](O)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414525822 313036906 /nfs/dbraw/zinc/03/69/06/313036906.db2.gz NBPHOLOUPTZIHW-WBMJQRKESA-N 0 3 330.388 2.198 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425070797 314328891 /nfs/dbraw/zinc/32/88/91/314328891.db2.gz XEQLYHWBECZIFO-GXTWGEPZSA-N 0 3 333.388 2.160 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440403661 315128739 /nfs/dbraw/zinc/12/87/39/315128739.db2.gz DGXIXWJOCXXDEA-GFCCVEGCSA-N 0 3 349.412 2.401 20 5 EEBDHN CCCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000515347739 316483094 /nfs/dbraw/zinc/48/30/94/316483094.db2.gz MPOILCGBAHNFQP-INIZCTEOSA-N 0 3 348.403 2.039 20 5 EEBDHN CC(C)N1CCN([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171054 317042082 /nfs/dbraw/zinc/04/20/82/317042082.db2.gz PBNAGGYPGKTQJE-HNNXBMFYSA-N 0 3 338.477 2.257 20 5 EEBDHN CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[n-]nc1[N+](=O)[O-] ZINC000548739448 318408857 /nfs/dbraw/zinc/40/88/57/318408857.db2.gz IYOUNIRYUZUXGJ-UHFFFAOYSA-N 0 3 347.375 2.291 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCS(=O)(=O)C1 ZINC000558259782 318704626 /nfs/dbraw/zinc/70/46/26/318704626.db2.gz XFMBCNPOQMFFEW-QWHCGFSZSA-N 0 3 326.418 2.379 20 5 EEBDHN CCSCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576576370 320184614 /nfs/dbraw/zinc/18/46/14/320184614.db2.gz ACWSSQJWENKSQZ-GFCCVEGCSA-N 0 3 346.474 2.490 20 5 EEBDHN N[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000577630638 320267283 /nfs/dbraw/zinc/26/72/83/320267283.db2.gz QZSUGVIPIQGZHL-OAHLLOKOSA-N 0 3 343.387 2.045 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336794082 465047438 /nfs/dbraw/zinc/04/74/38/465047438.db2.gz ZPBFGSFBDPRJFN-HOTGVXAUSA-N 0 3 341.415 2.287 20 5 EEBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000339117466 465092339 /nfs/dbraw/zinc/09/23/39/465092339.db2.gz VJVLJIDRMINGKN-GFCCVEGCSA-N 0 3 331.372 2.454 20 5 EEBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000339115865 465092551 /nfs/dbraw/zinc/09/25/51/465092551.db2.gz GFZSFFTUPLAMOZ-CYBMUJFWSA-N 0 3 331.372 2.454 20 5 EEBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264517 465135529 /nfs/dbraw/zinc/13/55/29/465135529.db2.gz YLYDTGXEIYGKOI-GDBMZVCRSA-N 0 3 338.404 2.081 20 5 EEBDHN COc1cc(CN[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533022 465219003 /nfs/dbraw/zinc/21/90/03/465219003.db2.gz PSMKGCQSGHVOIM-NXEZZACHSA-N 0 3 348.346 2.496 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356398588 465359901 /nfs/dbraw/zinc/35/99/01/465359901.db2.gz ZCJFNCYEZLOBJU-GMTAPVOTSA-N 0 3 341.795 2.224 20 5 EEBDHN CC(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113317480 462589727 /nfs/dbraw/zinc/58/97/27/462589727.db2.gz TTWHMJNICKWRQJ-UHFFFAOYSA-N 0 3 334.401 2.334 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000063092793 462627636 /nfs/dbraw/zinc/62/76/36/462627636.db2.gz IAAKHDTWZHUCRG-AWEZNQCLSA-N 0 3 346.431 2.409 20 5 EEBDHN CCc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000064335392 462696306 /nfs/dbraw/zinc/69/63/06/462696306.db2.gz ZDPWWUSWZUJFJS-AWEZNQCLSA-N 0 3 345.403 2.221 20 5 EEBDHN CC[C@H](C)[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155525189 462903307 /nfs/dbraw/zinc/90/33/07/462903307.db2.gz WLQRCGLAMJTNOQ-LRDDRELGSA-N 0 3 335.404 2.338 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156471192 463029131 /nfs/dbraw/zinc/02/91/31/463029131.db2.gz JZLZZHOZOVFXIM-UHFFFAOYSA-N 0 3 331.372 2.321 20 5 EEBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000121233329 463102158 /nfs/dbraw/zinc/10/21/58/463102158.db2.gz HGEDFCGQPOKTNM-UHFFFAOYSA-N 0 3 333.344 2.058 20 5 EEBDHN CC(C)N1CCC(N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068924279 463191748 /nfs/dbraw/zinc/19/17/48/463191748.db2.gz WTYWOMPSFOPKNE-UHFFFAOYSA-N 0 3 345.403 2.416 20 5 EEBDHN COc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055400965 463316417 /nfs/dbraw/zinc/31/64/17/463316417.db2.gz WCILHPNGHZGDGN-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000032737404 463391809 /nfs/dbraw/zinc/39/18/09/463391809.db2.gz JKWQOSOFXMDOPH-KGLIPLIRSA-N 0 3 335.404 2.353 20 5 EEBDHN CN(CCN1CCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000103120124 463395530 /nfs/dbraw/zinc/39/55/30/463395530.db2.gz YJRJTHQYCUSDNU-UHFFFAOYSA-N 0 3 346.431 2.363 20 5 EEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081128865 463398109 /nfs/dbraw/zinc/39/81/09/463398109.db2.gz APJNWSDOPPQRGV-CQSZACIVSA-N 0 3 328.372 2.269 20 5 EEBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000057705557 463510704 /nfs/dbraw/zinc/51/07/04/463510704.db2.gz QPEAAWMUOCKDJR-SECBINFHSA-N 0 3 336.348 2.024 20 5 EEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083025954 463529429 /nfs/dbraw/zinc/52/94/29/463529429.db2.gz AEEVJONSEAQYKN-GASCZTMLSA-N 0 3 349.431 2.143 20 5 EEBDHN CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000058115467 463541876 /nfs/dbraw/zinc/54/18/76/463541876.db2.gz HSDMFTXADOKZEI-UHFFFAOYSA-N 0 3 335.404 2.354 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)cc1SC ZINC000286889887 463736267 /nfs/dbraw/zinc/73/62/67/463736267.db2.gz GENIQJZIDLUMNO-VIFPVBQESA-N 0 3 327.406 2.005 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000276915586 463806327 /nfs/dbraw/zinc/80/63/27/463806327.db2.gz PVTVWKVJXQVPMD-QMTHXVAHSA-N 0 3 333.388 2.124 20 5 EEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000172413919 464075988 /nfs/dbraw/zinc/07/59/88/464075988.db2.gz YNPBFWPWQYHKBJ-UHFFFAOYSA-N 0 3 347.415 2.246 20 5 EEBDHN C[C@](CO)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591013993 468392307 /nfs/dbraw/zinc/39/23/07/468392307.db2.gz GCCOQLJIBPQJGS-GOSISDBHSA-N 0 3 343.383 2.421 20 5 EEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759369 464182651 /nfs/dbraw/zinc/18/26/51/464182651.db2.gz KHAMURPMFUYONJ-LBPRGKRZSA-N 0 3 343.387 2.491 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CCO)COC ZINC000271020804 464274696 /nfs/dbraw/zinc/27/46/96/464274696.db2.gz AJSKMNHMDGTVEL-OLZOCXBDSA-N 0 3 328.434 2.453 20 5 EEBDHN C[C@@H]1CSCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029662 464418425 /nfs/dbraw/zinc/41/84/25/464418425.db2.gz ZGCAOZFZNZXYOC-SNVBAGLBSA-N 0 3 327.381 2.500 20 5 EEBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264776569 464461192 /nfs/dbraw/zinc/46/11/92/464461192.db2.gz PGMBKQJWIRIRFE-LBPRGKRZSA-N 0 3 337.424 2.257 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2=CCN(C)CC2)c1 ZINC000281501241 464480682 /nfs/dbraw/zinc/48/06/82/464480682.db2.gz HXQNKPIDGLZJHY-UHFFFAOYSA-N 0 3 333.388 2.050 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153533 464498192 /nfs/dbraw/zinc/49/81/92/464498192.db2.gz CZXYXADEQDFLQJ-BXUZGUMPSA-N 0 3 341.358 2.485 20 5 EEBDHN C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285384492 464545305 /nfs/dbraw/zinc/54/53/05/464545305.db2.gz WNTJDKDIKICKHK-PNPHSEOMSA-N 0 3 345.399 2.312 20 5 EEBDHN CCOC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815547 464553612 /nfs/dbraw/zinc/55/36/12/464553612.db2.gz HDBSRJYIZRAIMG-CVEARBPZSA-N 0 3 335.404 2.351 20 5 EEBDHN COc1cc(CNCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272415623 464601067 /nfs/dbraw/zinc/60/10/67/464601067.db2.gz LJPFKRAWYZXXJG-UHFFFAOYSA-N 0 3 334.319 2.108 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000272504213 464636352 /nfs/dbraw/zinc/63/63/52/464636352.db2.gz ODXFQBZELXOFTM-SUMWQHHRSA-N 0 3 342.399 2.102 20 5 EEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000591155765 468417548 /nfs/dbraw/zinc/41/75/48/468417548.db2.gz TYJUFRVXAVBZBA-OLZOCXBDSA-N 0 3 326.397 2.145 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000286283527 464866573 /nfs/dbraw/zinc/86/65/73/464866573.db2.gz IGKUMRBFCHWCQL-SFHVURJKSA-N 0 3 339.399 2.487 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000298735840 465487575 /nfs/dbraw/zinc/48/75/75/465487575.db2.gz KNCSLKCNHYMJRQ-CYBMUJFWSA-N 0 3 334.420 2.123 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551116 465448881 /nfs/dbraw/zinc/44/88/81/465448881.db2.gz ZHNSVABFAOXTAG-NEPJUHHUSA-N 0 3 334.376 2.386 20 5 EEBDHN CN1CC[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000352805653 465557351 /nfs/dbraw/zinc/55/73/51/465557351.db2.gz PVXSFIKBNCZBFW-ABAIWWIYSA-N 0 3 328.372 2.242 20 5 EEBDHN COC(=O)C1CCN(CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000337867773 465640742 /nfs/dbraw/zinc/64/07/42/465640742.db2.gz LTNGXZUYZVWQKT-UHFFFAOYSA-N 0 3 339.367 2.421 20 5 EEBDHN CN(C(=O)CN[C@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519082 465647318 /nfs/dbraw/zinc/64/73/18/465647318.db2.gz AEURLKGZPYGWKD-STQMWFEESA-N 0 3 343.330 2.308 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000338053789 465783868 /nfs/dbraw/zinc/78/38/68/465783868.db2.gz XJEUHJSYNCRUQN-UKRRQHHQSA-N 0 3 334.420 2.261 20 5 EEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469010 465816052 /nfs/dbraw/zinc/81/60/52/465816052.db2.gz CLHBQNGLCBVCMW-RDJZCZTQSA-N 0 3 330.388 2.416 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000366813372 465950114 /nfs/dbraw/zinc/95/01/14/465950114.db2.gz VDDBLOVRBSIHJL-HNNXBMFYSA-N 0 3 347.415 2.369 20 5 EEBDHN C[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274175 466049329 /nfs/dbraw/zinc/04/93/29/466049329.db2.gz SBOPVTPHKSNZCG-YVEFUNNKSA-N 0 3 335.379 2.392 20 5 EEBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361658305 466184417 /nfs/dbraw/zinc/18/44/17/466184417.db2.gz FKTQPQXOSPVKOX-IUODEOHRSA-N 0 3 330.388 2.056 20 5 EEBDHN O=[N+]([O-])c1ccccc1OCCN[C@@]1(CO)CCc2ccccc21 ZINC000305240331 466390920 /nfs/dbraw/zinc/39/09/20/466390920.db2.gz QYIGDZYPNNIWDM-GOSISDBHSA-N 0 3 328.368 2.397 20 5 EEBDHN COc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000332229943 466458349 /nfs/dbraw/zinc/45/83/49/466458349.db2.gz PSSYHEOBRIUVQJ-JSGCOSHPSA-N 0 3 333.388 2.160 20 5 EEBDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237519 466462467 /nfs/dbraw/zinc/46/24/67/466462467.db2.gz HKWRAPCIHHVSRG-MQIPJXDCSA-N 0 3 335.379 2.390 20 5 EEBDHN CCC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318538 466558765 /nfs/dbraw/zinc/55/87/65/466558765.db2.gz UBVKJBOEYQBUSO-SWLSCSKDSA-N 0 3 326.418 2.460 20 5 EEBDHN CC(C)(NC(=O)[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000591675140 468501399 /nfs/dbraw/zinc/50/13/99/468501399.db2.gz VTSKUSIGZUXFJP-GFCCVEGCSA-N 0 3 327.331 2.191 20 5 EEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)cc1SC ZINC000411104799 466766753 /nfs/dbraw/zinc/76/67/53/466766753.db2.gz YMSLBMHHOWVVBF-UHFFFAOYSA-N 0 3 341.433 2.395 20 5 EEBDHN CCN1CCC(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411755752 466893677 /nfs/dbraw/zinc/89/36/77/466893677.db2.gz HQNJMSTYIDLVQM-UHFFFAOYSA-N 0 3 348.447 2.020 20 5 EEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965638 466950379 /nfs/dbraw/zinc/95/03/79/466950379.db2.gz KIVOHVLHZVCZMT-SFHVURJKSA-N 0 3 325.368 2.224 20 5 EEBDHN CN1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000413438765 467243130 /nfs/dbraw/zinc/24/31/30/467243130.db2.gz MHYSRWIXHNPYTK-GFCCVEGCSA-N 0 3 341.433 2.142 20 5 EEBDHN CCN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000413460866 467247132 /nfs/dbraw/zinc/24/71/32/467247132.db2.gz TVPNIPPBUUKIJY-LLVKDONJSA-N 0 3 326.784 2.142 20 5 EEBDHN COc1ccc(CN(C)CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000429549899 467344675 /nfs/dbraw/zinc/34/46/75/467344675.db2.gz VRDNSKNRJNVFEJ-UHFFFAOYSA-N 0 3 335.404 2.342 20 5 EEBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452368209 467360724 /nfs/dbraw/zinc/36/07/24/467360724.db2.gz QMGWYXZUNYZHKC-HNNXBMFYSA-N 0 3 349.431 2.295 20 5 EEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCCCN1C1CC1 ZINC000434444573 467398654 /nfs/dbraw/zinc/39/86/54/467398654.db2.gz DHGLXQPBLOHRCN-OAHLLOKOSA-N 0 3 335.379 2.410 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448980856 467610176 /nfs/dbraw/zinc/61/01/76/467610176.db2.gz QUNYNCIQZNTPGG-GFCCVEGCSA-N 0 3 343.387 2.151 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c2c(c1)COCO2 ZINC000449558508 467661812 /nfs/dbraw/zinc/66/18/12/467661812.db2.gz WLLPUTFPXJUNIT-IIYDPXPESA-N 0 3 348.399 2.444 20 5 EEBDHN Cc1cc(OCC(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457095191 467751602 /nfs/dbraw/zinc/75/16/02/467751602.db2.gz PWQXVGPPDOFVKI-AWEZNQCLSA-N 0 3 335.404 2.223 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493819733 467990472 /nfs/dbraw/zinc/99/04/72/467990472.db2.gz KMJWTJVUXAMJHC-FPLPWBNLSA-N 0 3 329.360 2.005 20 5 EEBDHN Cc1ccc(OCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550084899 468206662 /nfs/dbraw/zinc/20/66/62/468206662.db2.gz CPFVHRNJUPTSOZ-INIZCTEOSA-N 0 3 346.383 2.312 20 5 EEBDHN CC(C)(NCC[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000590019607 468206775 /nfs/dbraw/zinc/20/67/75/468206775.db2.gz ZCGQUNBNWBZMSD-LBPRGKRZSA-N 0 3 326.418 2.244 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000550618725 468220146 /nfs/dbraw/zinc/22/01/46/468220146.db2.gz GDQRXQHCGKAJMM-LBPRGKRZSA-N 0 3 330.388 2.077 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594420427 468579179 /nfs/dbraw/zinc/57/91/79/468579179.db2.gz TUYFNDSAPFPLDG-HUUCEWRRSA-N 0 3 332.404 2.140 20 5 EEBDHN CN1CCC[C@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000582917998 468617210 /nfs/dbraw/zinc/61/72/10/468617210.db2.gz UXLHMOKTBYBRNT-KRWDZBQOSA-N 0 3 343.387 2.166 20 5 EEBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258669 468795361 /nfs/dbraw/zinc/79/53/61/468795361.db2.gz VUHLMUFJCUSYPW-QGZVFWFLSA-N 0 3 341.367 2.437 20 5 EEBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907177 468854157 /nfs/dbraw/zinc/85/41/57/468854157.db2.gz DOPNXJDMUINTDW-CHWSQXEVSA-N 0 3 345.403 2.307 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000595470855 468866334 /nfs/dbraw/zinc/86/63/34/468866334.db2.gz UAOSNNRQTLARAC-INIZCTEOSA-N 0 3 349.431 2.160 20 5 EEBDHN CN(C(=O)CN1CCC[C@H]1[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996869 468869437 /nfs/dbraw/zinc/86/94/37/468869437.db2.gz IXBBCDAEZQKYHP-YOEHRIQHSA-N 0 3 347.415 2.449 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000598576630 468920379 /nfs/dbraw/zinc/92/03/79/468920379.db2.gz YCKYBKUMZVYMJE-AWEZNQCLSA-N 0 3 325.796 2.247 20 5 EEBDHN COc1cc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000593509414 469010879 /nfs/dbraw/zinc/01/08/79/469010879.db2.gz KVWKMXXCPDFFTC-UHFFFAOYSA-N 0 3 335.364 2.114 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000602797657 469082061 /nfs/dbraw/zinc/08/20/61/469082061.db2.gz NPEUSLGDMKTSKT-ZBFHGGJFSA-N 0 3 333.436 2.048 20 5 EEBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611140048 469172316 /nfs/dbraw/zinc/17/23/16/469172316.db2.gz PILRJWGSFSUSJS-UHFFFAOYSA-N 0 3 344.371 2.459 20 5 EEBDHN COc1ccc(C[C@](C)([NH3+])CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596174206 469186969 /nfs/dbraw/zinc/18/69/69/469186969.db2.gz CGNAQYWHEJNZKH-INIZCTEOSA-N 0 3 332.360 2.076 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000602954321 469187166 /nfs/dbraw/zinc/18/71/66/469187166.db2.gz VMZOLFJCOWXXNS-UHFFFAOYSA-N 0 3 335.408 2.058 20 5 EEBDHN Cc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424487 469391221 /nfs/dbraw/zinc/39/12/21/469391221.db2.gz YFBKUKUTLWWKHI-QGZVFWFLSA-N 0 3 348.447 2.112 20 5 EEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000603589979 469414773 /nfs/dbraw/zinc/41/47/73/469414773.db2.gz YNMSISNXJQWCRJ-UHFFFAOYSA-N 0 3 332.360 2.256 20 5 EEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000609347923 469921916 /nfs/dbraw/zinc/92/19/16/469921916.db2.gz GMDZCGKAXMDZBS-CYBMUJFWSA-N 0 3 343.387 2.172 20 5 EEBDHN COc1cc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000130659830 533811554 /nfs/dbraw/zinc/81/15/54/533811554.db2.gz ZEUPXWIQBJABCP-UHFFFAOYSA-N 0 3 335.404 2.140 20 5 EEBDHN COC(=O)c1cnc(NCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000190169598 534306914 /nfs/dbraw/zinc/30/69/14/534306914.db2.gz ILBVQDCABBJNKE-UHFFFAOYSA-N 0 3 344.371 2.320 20 5 EEBDHN CC1(C)CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191853518 528993960 /nfs/dbraw/zinc/99/39/60/528993960.db2.gz WDVMINXWQZMRDV-CQSZACIVSA-N 0 3 335.360 2.430 20 5 EEBDHN CN(C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193888020 535889988 /nfs/dbraw/zinc/88/99/88/535889988.db2.gz NUSJRWPPFHTAQB-UHFFFAOYSA-N 0 3 343.383 2.465 20 5 EEBDHN Cc1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000733159393 577206534 /nfs/dbraw/zinc/20/65/34/577206534.db2.gz PXDFNFFIMSRGDV-INIZCTEOSA-N 0 3 347.415 2.276 20 5 EEBDHN CCCCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574562 577462869 /nfs/dbraw/zinc/46/28/69/577462869.db2.gz JCPQFTYHQKLJFC-QGZVFWFLSA-N 0 3 349.431 2.257 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)CCc2ccccc2)cc1 ZINC000776581302 577463148 /nfs/dbraw/zinc/46/31/48/577463148.db2.gz BVABMXUSGCQUMV-GOSISDBHSA-N 0 3 330.384 2.165 20 5 EEBDHN CO[C@H](CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009576 577470925 /nfs/dbraw/zinc/47/09/25/577470925.db2.gz JAJWCPZJVHAGMB-BXKDBHETSA-N 0 3 349.309 2.479 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735367 577485546 /nfs/dbraw/zinc/48/55/46/577485546.db2.gz JGCJEHLSMPLUDY-MSOLQXFVSA-N 0 3 346.358 2.361 20 5 EEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccco1 ZINC000764772879 577488259 /nfs/dbraw/zinc/48/82/59/577488259.db2.gz LTWBGHHCDZSUIN-BXUZGUMPSA-N 0 3 333.344 2.228 20 5 EEBDHN C[S@](=O)C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159359 577801430 /nfs/dbraw/zinc/80/14/30/577801430.db2.gz MFGGIESSBBRGFM-UAVUOLJFSA-N 0 3 348.424 2.338 20 5 EEBDHN C[S@](=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341979 577804781 /nfs/dbraw/zinc/80/47/81/577804781.db2.gz OSJNEWAQEGFJSM-MWTRTKDXSA-N 0 3 334.397 2.155 20 5 EEBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168230 577821074 /nfs/dbraw/zinc/82/10/74/577821074.db2.gz GCGCFHOHOOQKPY-XPTSAGLGSA-N 0 3 327.768 2.344 20 5 EEBDHN C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000745695521 577917088 /nfs/dbraw/zinc/91/70/88/577917088.db2.gz BXZGQYSFWBYPJV-CQSZACIVSA-N 0 3 334.420 2.311 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000741723724 578123108 /nfs/dbraw/zinc/12/31/08/578123108.db2.gz ZAMIVCCFCIPNAM-ZIAGYGMSSA-N 0 3 346.431 2.408 20 5 EEBDHN CCN1CCC[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891461841 676666238 /nfs/dbraw/zinc/66/62/38/676666238.db2.gz XBVVOPLHFCWEQU-GFCCVEGCSA-N 0 3 330.388 2.343 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877341333 1199907533 /nfs/dbraw/zinc/90/75/33/1199907533.db2.gz TXCGBIRSSLOFFX-HNNXBMFYSA-N 0 3 325.368 2.348 20 5 EEBDHN Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000877347357 1199910055 /nfs/dbraw/zinc/91/00/55/1199910055.db2.gz VBFBYZZYMJUUEH-INIZCTEOSA-N 0 3 325.368 2.348 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000890068684 1204776122 /nfs/dbraw/zinc/77/61/22/1204776122.db2.gz BSHZYDKDCQWCKC-UHFFFAOYSA-N 0 3 339.367 2.204 20 5 EEBDHN CCN(CC)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095415534 1205711560 /nfs/dbraw/zinc/71/15/60/1205711560.db2.gz HUHFGMRUKYQDCH-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000193119519 1210733814 /nfs/dbraw/zinc/73/38/14/1210733814.db2.gz YSPQFPIBEOTVES-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020059914 1229465197 /nfs/dbraw/zinc/46/51/97/1229465197.db2.gz GMORRYSQODPQGZ-HDJSIYSDSA-N 0 3 328.372 2.282 20 5 EEBDHN O=C(N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1)C1(CF)CC1 ZINC001049048677 1239852313 /nfs/dbraw/zinc/85/23/13/1239852313.db2.gz LSTGLSOBKQADQT-GASCZTMLSA-N 0 3 347.390 2.235 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097231193 1243857165 /nfs/dbraw/zinc/85/71/65/1243857165.db2.gz TVWCCMZSYOZBFS-BETUJISGSA-N 0 3 349.435 2.088 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N(CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001101352734 1245703289 /nfs/dbraw/zinc/70/32/89/1245703289.db2.gz LAAXCGUIMLOEJE-UHFFFAOYSA-N 0 3 348.447 2.328 20 5 EEBDHN CSc1nc(Cl)nc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC001165141447 1321464834 /nfs/dbraw/zinc/46/48/34/1321464834.db2.gz WSNOHEBPADMYAP-UHFFFAOYSA-N 0 3 331.829 2.292 20 5 EEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CN(C)C1CCC1 ZINC001102017356 1300147365 /nfs/dbraw/zinc/14/73/65/1300147365.db2.gz TWJAMDAFRAMOAX-UHFFFAOYSA-N 0 3 338.383 2.089 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000799190972 1305180122 /nfs/dbraw/zinc/18/01/22/1305180122.db2.gz VXOZUBXADAJTFH-LSDHHAIUSA-N 0 3 343.383 2.219 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001120810711 1309765229 /nfs/dbraw/zinc/76/52/29/1309765229.db2.gz UZKAQQIITABJBV-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCN(CCCO)C3)sc2c1 ZINC000828461219 1314459654 /nfs/dbraw/zinc/45/96/54/1314459654.db2.gz OGLFWAWGNUZAJQ-LLVKDONJSA-N 0 3 336.417 2.463 20 5 EEBDHN O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001154758660 1317299444 /nfs/dbraw/zinc/29/94/44/1317299444.db2.gz DPRZRPFBSDTREE-UHFFFAOYSA-N 0 3 329.356 2.210 20 5 EEBDHN O=C(NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254597461 1318139277 /nfs/dbraw/zinc/13/92/77/1318139277.db2.gz DWZAXGISLTWMEL-QGZVFWFLSA-N 0 3 329.400 2.053 20 5 EEBDHN COC1(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCC1 ZINC001157161128 1318450686 /nfs/dbraw/zinc/45/06/86/1318450686.db2.gz VOLHBGINTSBQPR-UHFFFAOYSA-N 0 3 341.433 2.211 20 5 EEBDHN Cc1cncc(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001163325100 1321098004 /nfs/dbraw/zinc/09/80/04/1321098004.db2.gz SSFFRCWRCUUSFX-UHFFFAOYSA-N 0 3 342.399 2.137 20 5 EEBDHN Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409222 1351964770 /nfs/dbraw/zinc/96/47/70/1351964770.db2.gz BWROPZKCYANKLB-NSHDSACASA-N 0 3 345.407 2.227 20 5 EEBDHN Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409222 1351964772 /nfs/dbraw/zinc/96/47/72/1351964772.db2.gz BWROPZKCYANKLB-NSHDSACASA-N 0 3 345.407 2.227 20 5 EEBDHN COc1c(C(=O)Nc2ccc3c(c2)OCCNC3)cccc1[N+](=O)[O-] ZINC001579134442 1344341440 /nfs/dbraw/zinc/34/14/40/1344341440.db2.gz APSVNGULHOXKBZ-UHFFFAOYSA-N 0 3 343.339 2.338 20 5 EEBDHN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464758 1349339523 /nfs/dbraw/zinc/33/95/23/1349339523.db2.gz FTAFVTCMPNLJQU-AWEZNQCLSA-N 0 3 346.391 2.070 20 5 EEBDHN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464758 1349339529 /nfs/dbraw/zinc/33/95/29/1349339529.db2.gz FTAFVTCMPNLJQU-AWEZNQCLSA-N 0 3 346.391 2.070 20 5 EEBDHN CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590474401 1349347323 /nfs/dbraw/zinc/34/73/23/1349347323.db2.gz HAOBCQIGIDFATH-UHFFFAOYSA-N 0 3 348.407 2.194 20 5 EEBDHN CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590474401 1349347325 /nfs/dbraw/zinc/34/73/25/1349347325.db2.gz HAOBCQIGIDFATH-UHFFFAOYSA-N 0 3 348.407 2.194 20 5 EEBDHN CO[C@@]1(C)CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605015421 1351055862 /nfs/dbraw/zinc/05/58/62/1351055862.db2.gz LNEPOZVTSFRZKX-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@@]1(C)CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605015421 1351055866 /nfs/dbraw/zinc/05/58/66/1351055866.db2.gz LNEPOZVTSFRZKX-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@@]1(C)CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015421 1351055871 /nfs/dbraw/zinc/05/58/71/1351055871.db2.gz LNEPOZVTSFRZKX-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@@]1(C)CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015421 1351055872 /nfs/dbraw/zinc/05/58/72/1351055872.db2.gz LNEPOZVTSFRZKX-INIZCTEOSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@]1(C)CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605015422 1351056107 /nfs/dbraw/zinc/05/61/07/1351056107.db2.gz LNEPOZVTSFRZKX-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@]1(C)CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605015422 1351056113 /nfs/dbraw/zinc/05/61/13/1351056113.db2.gz LNEPOZVTSFRZKX-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@]1(C)CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015422 1351056119 /nfs/dbraw/zinc/05/61/19/1351056119.db2.gz LNEPOZVTSFRZKX-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN CO[C@]1(C)CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015422 1351056122 /nfs/dbraw/zinc/05/61/22/1351056122.db2.gz LNEPOZVTSFRZKX-MRXNPFEDSA-N 0 3 346.391 2.166 20 5 EEBDHN CC(C)[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000815593784 1368043125 /nfs/dbraw/zinc/04/31/25/1368043125.db2.gz XDSSAIMRYWYCTH-LRDDRELGSA-N 0 3 334.420 2.475 20 5 EEBDHN CC(C)N(C)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110593806 1369116651 /nfs/dbraw/zinc/11/66/51/1369116651.db2.gz PQPBDOMAUIEKBD-UHFFFAOYSA-N 0 3 348.447 2.410 20 5 EEBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100546491 760000866 /nfs/dbraw/zinc/00/08/66/760000866.db2.gz AFEXWMJMFFUSQJ-UHFFFAOYSA-N 0 3 336.436 2.186 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1[nH]ccc1C1CC1 ZINC001129083089 783985729 /nfs/dbraw/zinc/98/57/29/783985729.db2.gz VNSHXQQBDAIAPC-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN O=C1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979531 785348185 /nfs/dbraw/zinc/34/81/85/785348185.db2.gz PLLHODGAKZCTKN-PBHICJAKSA-N 0 3 341.367 2.023 20 5 EEBDHN Cc1cc(NC/C=C/CNC(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001107199651 786369968 /nfs/dbraw/zinc/36/99/68/786369968.db2.gz DVFHVDHMOKHZMH-NSCUHMNNSA-N 0 3 332.404 2.083 20 5 EEBDHN Cc1cc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC000845873405 789971379 /nfs/dbraw/zinc/97/13/79/789971379.db2.gz TUVFPLXFDCSEHJ-MEBBXXQBSA-N 0 3 338.291 2.451 20 5 EEBDHN CC([C@@H](OC(=O)COC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845876700 789972166 /nfs/dbraw/zinc/97/21/66/789972166.db2.gz NWAXQAJVLUJBEN-XHBSWPGZSA-N 0 3 341.335 2.271 20 5 EEBDHN CC([C@@H](OC(=O)c1cc2n(n1)CCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845879338 789973275 /nfs/dbraw/zinc/97/32/75/789973275.db2.gz IRDLMXJQLLSLIP-MEBBXXQBSA-N 0 3 349.318 2.368 20 5 EEBDHN O=C(CCCc1ccccn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148585430 792569815 /nfs/dbraw/zinc/56/98/15/792569815.db2.gz BOUDNUCWQXDHGQ-UHFFFAOYSA-N 0 3 342.399 2.219 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110148628 795624332 /nfs/dbraw/zinc/62/43/32/795624332.db2.gz MOHKQRRMRJIEIY-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN CCCCCCN(C)CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093802322 795697756 /nfs/dbraw/zinc/69/77/56/795697756.db2.gz DBOFDRULDAPESG-UHFFFAOYSA-N 0 3 337.424 2.030 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C(C)(C)N2CCCCC2)n1 ZINC001093888983 795767414 /nfs/dbraw/zinc/76/74/14/795767414.db2.gz LFDHIYXCMXZHCM-UHFFFAOYSA-N 0 3 349.435 2.091 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN([C@@H]3CCOC3)CC1)CC2 ZINC001172907476 797133562 /nfs/dbraw/zinc/13/35/62/797133562.db2.gz FHKMPCJUPCHGRS-PKOBYXMFSA-N 0 3 345.443 2.249 20 5 EEBDHN CC(=O)N1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172918287 797170833 /nfs/dbraw/zinc/17/08/33/797170833.db2.gz ANJPEULWDLCHQY-SUMWQHHRSA-N 0 3 331.416 2.395 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)C1(N(C)C)CCC1 ZINC001106873774 797632156 /nfs/dbraw/zinc/63/21/56/797632156.db2.gz BGZNGKRBSFGCMY-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)C1(N(C)C)CCC1 ZINC001106874093 797633023 /nfs/dbraw/zinc/63/30/23/797633023.db2.gz QFBTUOKZSZIVEY-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001110265849 801085093 /nfs/dbraw/zinc/08/50/93/801085093.db2.gz BXMGTJFOTJGUOE-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN COc1ccc(C[C@H](C)NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC001170313000 809886195 /nfs/dbraw/zinc/88/61/95/809886195.db2.gz HYZWVHZNOSQBAE-LBPRGKRZSA-N 0 3 347.371 2.033 20 5 EEBDHN COCCN(CCOC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330064 809894599 /nfs/dbraw/zinc/89/45/99/809894599.db2.gz XPVLMJAUQDOBIY-CYBMUJFWSA-N 0 3 326.393 2.129 20 5 EEBDHN O=C(CCc1ccsc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129468340 810857862 /nfs/dbraw/zinc/85/78/62/810857862.db2.gz JXTXCKKXABUVHR-UHFFFAOYSA-N 0 3 333.413 2.495 20 5 EEBDHN CC(C)(C)n1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001130696165 811948439 /nfs/dbraw/zinc/94/84/39/811948439.db2.gz NPPWHGQABCELOJ-UHFFFAOYSA-N 0 3 345.403 2.066 20 5 EEBDHN CCOC(=O)C1=C(Nc2cc3cccnc3c([N+](=O)[O-])c2)CCNC1 ZINC001170517926 812090817 /nfs/dbraw/zinc/09/08/17/812090817.db2.gz VSOJRRJKUTWVMI-UHFFFAOYSA-N 0 3 342.355 2.365 20 5 EEBDHN Cc1ccc(CNCCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000237733408 242774352 /nfs/dbraw/zinc/77/43/52/242774352.db2.gz JFSPRGXOMNASDO-UHFFFAOYSA-N 0 3 328.372 2.094 20 5 EEBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247087377 243371799 /nfs/dbraw/zinc/37/17/99/243371799.db2.gz PPAVKGSIQKPIIM-HIFRSBDPSA-N 0 3 332.404 2.454 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110966930 220086382 /nfs/dbraw/zinc/08/63/82/220086382.db2.gz UXVOAXFZQNCWLL-ZDUSSCGKSA-N 0 3 342.399 2.427 20 5 EEBDHN CCN(Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523888 248344420 /nfs/dbraw/zinc/34/44/20/248344420.db2.gz JMNBSIYHHGROLA-OAHLLOKOSA-N 0 3 338.795 2.328 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174805842 255845305 /nfs/dbraw/zinc/84/53/05/255845305.db2.gz WQCPEGYTHXBWAM-UHFFFAOYSA-N 0 3 335.404 2.306 20 5 EEBDHN CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117746348 221085467 /nfs/dbraw/zinc/08/54/67/221085467.db2.gz BBCFOXCUHFNPKS-UHFFFAOYSA-N 0 3 325.796 2.391 20 5 EEBDHN Cc1ccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267117907 256029183 /nfs/dbraw/zinc/02/91/83/256029183.db2.gz AGZDSTGASBASRK-HNNXBMFYSA-N 0 3 338.433 2.462 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270359841 256126677 /nfs/dbraw/zinc/12/66/77/256126677.db2.gz BNAONDAZRCKROM-WBVHZDCISA-N 0 3 346.431 2.406 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000270644565 256156569 /nfs/dbraw/zinc/15/65/69/256156569.db2.gz ADAIAKAHVWOTLG-NSHDSACASA-N 0 3 341.433 2.013 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1N(C)C ZINC000271122448 256210612 /nfs/dbraw/zinc/21/06/12/256210612.db2.gz LAIFHQNAIMXQSZ-ZIAGYGMSSA-N 0 3 348.428 2.194 20 5 EEBDHN COc1ccc(NC(=O)CCN(C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000119063447 221235927 /nfs/dbraw/zinc/23/59/27/221235927.db2.gz UFZXEFORQCYYJN-UHFFFAOYSA-N 0 3 344.371 2.459 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C)C1 ZINC000171694124 533223860 /nfs/dbraw/zinc/22/38/60/533223860.db2.gz TUZYDYHQCBUQKO-LLVKDONJSA-N 0 3 339.417 2.369 20 5 EEBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000129444224 533397849 /nfs/dbraw/zinc/39/78/49/533397849.db2.gz LKHCCKXPYQAPCD-CYBMUJFWSA-N 0 3 349.412 2.224 20 5 EEBDHN CC(=O)c1cc(N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000342151737 161043717 /nfs/dbraw/zinc/04/37/17/161043717.db2.gz GSSLQPRIYHXQFO-UHFFFAOYSA-N 0 3 335.404 2.344 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000344864184 161252077 /nfs/dbraw/zinc/25/20/77/161252077.db2.gz LQGVKORNUZISHI-RKXUAZDKSA-N 0 3 347.415 2.224 20 5 EEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OCCN(C)C)CC1 ZINC000360905268 164399378 /nfs/dbraw/zinc/39/93/78/164399378.db2.gz YPQDMCPOHJHNJZ-UHFFFAOYSA-N 0 3 335.404 2.344 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375468963 167141608 /nfs/dbraw/zinc/14/16/08/167141608.db2.gz GRPZYSSHXKHYQC-DLBZAZTESA-N 0 3 349.431 2.336 20 5 EEBDHN COc1cc(C(=O)N2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000376635847 167364658 /nfs/dbraw/zinc/36/46/58/167364658.db2.gz AZTDBDYRYSJMSK-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122486682 222097896 /nfs/dbraw/zinc/09/78/96/222097896.db2.gz PUUMPWYUWFMCRH-SNVBAGLBSA-N 0 3 342.193 2.181 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000274413424 269031355 /nfs/dbraw/zinc/03/13/55/269031355.db2.gz WGYRROFFGKKJNC-CQSZACIVSA-N 0 3 343.836 2.415 20 5 EEBDHN CN(Cc1ccccn1)[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000275630650 269132095 /nfs/dbraw/zinc/13/20/95/269132095.db2.gz JQMNAHPVXSCVRV-HNNXBMFYSA-N 0 3 344.419 2.214 20 5 EEBDHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000277530743 269160320 /nfs/dbraw/zinc/16/03/20/269160320.db2.gz MLYLAQRYOBYOER-ZDUSSCGKSA-N 0 3 332.404 2.232 20 5 EEBDHN CC[C@H](NC[C@H](O)CO[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342698 274349312 /nfs/dbraw/zinc/34/93/12/274349312.db2.gz MACRONZMNWLQOA-RCBQFDQVSA-N 0 3 326.393 2.048 20 5 EEBDHN CCOC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286213690 274848884 /nfs/dbraw/zinc/84/88/84/274848884.db2.gz QQDSBEXAHGVERE-CQSZACIVSA-N 0 3 339.392 2.193 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600232 275074461 /nfs/dbraw/zinc/07/44/61/275074461.db2.gz YPDGTBFCTGQYIZ-XHDPSFHLSA-N 0 3 348.359 2.202 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291621980 275323855 /nfs/dbraw/zinc/32/38/55/275323855.db2.gz CTWJIVDHRQBRDB-OALUTQOASA-N 0 3 342.395 2.264 20 5 EEBDHN CN1CC[C@@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292159919 275386047 /nfs/dbraw/zinc/38/60/47/275386047.db2.gz JCGVBBZQEMETPS-MRXNPFEDSA-N 0 3 335.429 2.241 20 5 EEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000357859184 292688473 /nfs/dbraw/zinc/68/84/73/292688473.db2.gz HKQSOFRQJGQCFH-LRDDRELGSA-N 0 3 345.403 2.058 20 5 EEBDHN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293663155 293264068 /nfs/dbraw/zinc/26/40/68/293264068.db2.gz JMWSHFFGQXUPNL-AWEZNQCLSA-N 0 3 347.415 2.306 20 5 EEBDHN CN(C)CCOc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294691733 293519429 /nfs/dbraw/zinc/51/94/29/293519429.db2.gz KQBMVLFSFFYLRU-UHFFFAOYSA-N 0 3 337.420 2.079 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795135 294342862 /nfs/dbraw/zinc/34/28/62/294342862.db2.gz XSUNEOAYNLGPEV-BJJXKVORSA-N 0 3 332.404 2.391 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c1C ZINC000349782455 312309108 /nfs/dbraw/zinc/30/91/08/312309108.db2.gz JJWYELBURMWSAF-LBPRGKRZSA-N 0 3 343.449 2.219 20 5 EEBDHN C[C@@H](CC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449142995 315422934 /nfs/dbraw/zinc/42/29/34/315422934.db2.gz PHOSXXLMRPVAMN-LBPRGKRZSA-N 0 3 343.449 2.287 20 5 EEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000577458626 320255962 /nfs/dbraw/zinc/25/59/62/320255962.db2.gz WUCITXBFCIIACQ-NSHDSACASA-N 0 3 337.351 2.053 20 5 EEBDHN Cn1cc(-c2ncc(CNCCc3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC000354588354 465039966 /nfs/dbraw/zinc/03/99/66/465039966.db2.gz WFJUOXSFFDNDJO-UHFFFAOYSA-N 0 3 338.371 2.118 20 5 EEBDHN COc1c(C(=O)N(CCN(C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000356324670 465312522 /nfs/dbraw/zinc/31/25/22/465312522.db2.gz ZWTAAUXEEDCSNE-UHFFFAOYSA-N 0 3 347.371 2.400 20 5 EEBDHN CCOc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046878213 462713956 /nfs/dbraw/zinc/71/39/56/462713956.db2.gz XYBKAZWCIHKQDU-CYBMUJFWSA-N 0 3 335.404 2.455 20 5 EEBDHN C[C@@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008222211 462773917 /nfs/dbraw/zinc/77/39/17/462773917.db2.gz FWCKMAHZFQNHPP-OLZOCXBDSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCOC2=O)c1 ZINC000090539842 462796586 /nfs/dbraw/zinc/79/65/86/462796586.db2.gz QIHDWZGQFQEDAU-LBPRGKRZSA-N 0 3 345.359 2.099 20 5 EEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000132471172 462858993 /nfs/dbraw/zinc/85/89/93/462858993.db2.gz VYZTXJLXDYGFMP-DYVFJYSZSA-N 0 3 346.431 2.391 20 5 EEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133481104 462937303 /nfs/dbraw/zinc/93/73/03/462937303.db2.gz FZMADCBCDFPFQL-UHFFFAOYSA-N 0 3 335.813 2.044 20 5 EEBDHN CCN(CC)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000024927812 463102571 /nfs/dbraw/zinc/10/25/71/463102571.db2.gz DQJVREDVYGPEDO-UHFFFAOYSA-N 0 3 331.376 2.272 20 5 EEBDHN CSC[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135452268 463159118 /nfs/dbraw/zinc/15/91/18/463159118.db2.gz UNFSNPKCXPHGKZ-KBPBESRZSA-N 0 3 326.418 2.162 20 5 EEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000080676835 463346506 /nfs/dbraw/zinc/34/65/06/463346506.db2.gz PDYBHRGFEBNFEG-LLVKDONJSA-N 0 3 336.783 2.335 20 5 EEBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144585425 463376574 /nfs/dbraw/zinc/37/65/74/463376574.db2.gz ASHMTOFZPSHGCV-BBRMVZONSA-N 0 3 349.431 2.266 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCCN(C)C)CC1 ZINC000072597162 463524268 /nfs/dbraw/zinc/52/42/68/463524268.db2.gz IMCZRDMUULOULZ-AWEZNQCLSA-N 0 3 348.447 2.046 20 5 EEBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(CC4CC4)C3)cc2N1 ZINC000108350308 463602298 /nfs/dbraw/zinc/60/22/98/463602298.db2.gz YQBDSXXNMQGSEX-ZDUSSCGKSA-N 0 3 330.388 2.376 20 5 EEBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000126828203 463665382 /nfs/dbraw/zinc/66/53/82/463665382.db2.gz QYPAEBUDNKRTJH-LLVKDONJSA-N 0 3 349.416 2.021 20 5 EEBDHN COCCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171098422 463785059 /nfs/dbraw/zinc/78/50/59/463785059.db2.gz MDOVXJNJWKBXLE-UHFFFAOYSA-N 0 3 336.392 2.217 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219852 463837168 /nfs/dbraw/zinc/83/71/68/463837168.db2.gz QEEFFRZLPKSLPM-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219852 463837175 /nfs/dbraw/zinc/83/71/75/463837175.db2.gz QEEFFRZLPKSLPM-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000287565579 463929426 /nfs/dbraw/zinc/92/94/26/463929426.db2.gz QJNJJVNGMBWIAO-GXTWGEPZSA-N 0 3 343.387 2.101 20 5 EEBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180563749 464337259 /nfs/dbraw/zinc/33/72/59/464337259.db2.gz OCGNSVMPPDDPQD-LBPRGKRZSA-N 0 3 349.435 2.202 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000188855959 464384079 /nfs/dbraw/zinc/38/40/79/464384079.db2.gz LMQXMHAWHLEFGP-AWEZNQCLSA-N 0 3 349.435 2.051 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294310856 464462484 /nfs/dbraw/zinc/46/24/84/464462484.db2.gz WKKWJDFJTDYHAY-INIZCTEOSA-N 0 3 348.359 2.061 20 5 EEBDHN C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCN(C)CC1 ZINC000264798753 464470091 /nfs/dbraw/zinc/47/00/91/464470091.db2.gz CAFAVRBBAXSHQY-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN COC(=O)c1cnc(N(C)CC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000189326813 464477199 /nfs/dbraw/zinc/47/71/99/464477199.db2.gz SWVDHYZVXLPXOT-ZDUSSCGKSA-N 0 3 336.392 2.087 20 5 EEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000281599463 464517809 /nfs/dbraw/zinc/51/78/09/464517809.db2.gz RTBVDZOTTQPUMN-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)c2ccncc21 ZINC000294926648 464650565 /nfs/dbraw/zinc/65/05/65/464650565.db2.gz JRIOUOFBUHFJQG-ZDUSSCGKSA-N 0 3 330.388 2.402 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000359816070 465492436 /nfs/dbraw/zinc/49/24/36/465492436.db2.gz VWFBFEGHGKKTPX-ZFWWWQNUSA-N 0 3 342.399 2.326 20 5 EEBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298863701 465527863 /nfs/dbraw/zinc/52/78/63/465527863.db2.gz DNIYWQOCNDCGBG-UHFFFAOYSA-N 0 3 328.372 2.101 20 5 EEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352816663 465558883 /nfs/dbraw/zinc/55/88/83/465558883.db2.gz PVDBQKCYYGTBAT-GBIKHYSHSA-N 0 3 339.417 2.272 20 5 EEBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110785 465646907 /nfs/dbraw/zinc/64/69/07/465646907.db2.gz MIKQBDHTADWOMO-WBMJQRKESA-N 0 3 335.404 2.386 20 5 EEBDHN CN(C(=O)CN[C@@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519079 465647069 /nfs/dbraw/zinc/64/70/69/465647069.db2.gz AEURLKGZPYGWKD-CHWSQXEVSA-N 0 3 343.330 2.308 20 5 EEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362363635 465682490 /nfs/dbraw/zinc/68/24/90/465682490.db2.gz DBNRJBVIEVNUJO-UHFFFAOYSA-N 0 3 348.378 2.786 20 5 EEBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000299320431 465695413 /nfs/dbraw/zinc/69/54/13/465695413.db2.gz FCJHKVNUAZVGTE-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN C[C@@H](CN(C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000346229229 466011530 /nfs/dbraw/zinc/01/15/30/466011530.db2.gz RVBBDTVLMWSQQC-VIFPVBQESA-N 0 3 349.309 2.216 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660406 466163086 /nfs/dbraw/zinc/16/30/86/466163086.db2.gz AVYFQNQEYVMYDK-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCCO[C@H](C)C1 ZINC000340900947 466419602 /nfs/dbraw/zinc/41/96/02/466419602.db2.gz JGEDEYXJYNUBJU-GFCCVEGCSA-N 0 3 325.413 2.032 20 5 EEBDHN CN1CC[C@@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144918 466493502 /nfs/dbraw/zinc/49/35/02/466493502.db2.gz VCRWNEBCECUXNT-QGZVFWFLSA-N 0 3 331.372 2.011 20 5 EEBDHN COC(=O)c1cnc(NC[C@@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358150400 466496838 /nfs/dbraw/zinc/49/68/38/466496838.db2.gz MZYWVOXEIJOWDJ-VXGBXAGGSA-N 0 3 336.392 2.451 20 5 EEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CCNC2=O)CC1 ZINC000347360142 466589187 /nfs/dbraw/zinc/58/91/87/466589187.db2.gz OPAWHWJZHMTLFO-KAMYIIQDSA-N 0 3 344.415 2.488 20 5 EEBDHN N[C@H](CC1CCCCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719267 466813027 /nfs/dbraw/zinc/81/30/27/466813027.db2.gz FAYWQXJVNLXXHS-CYBMUJFWSA-N 0 3 331.376 2.707 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365601884 466877651 /nfs/dbraw/zinc/87/76/51/466877651.db2.gz QZOSVXNRDFGWNJ-RDJZCZTQSA-N 0 3 337.395 2.467 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424037234 466959991 /nfs/dbraw/zinc/95/99/91/466959991.db2.gz IXDGKEXWQALQQN-GOEBONIOSA-N 0 3 343.358 2.230 20 5 EEBDHN COC1([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000412025225 466968669 /nfs/dbraw/zinc/96/86/69/466968669.db2.gz PLOYMHGTZBTXJS-GFCCVEGCSA-N 0 3 333.388 2.031 20 5 EEBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1F ZINC000413301525 467210563 /nfs/dbraw/zinc/21/05/63/467210563.db2.gz PEGYAXZZOTYNCP-UHFFFAOYSA-N 0 3 335.339 2.076 20 5 EEBDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000432855822 467269720 /nfs/dbraw/zinc/26/97/20/467269720.db2.gz TWZIJOZPOCTZQC-UHFFFAOYSA-N 0 3 349.412 2.135 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@@H]3CCCC[N@@H+]3C3CC3)n2)cc1 ZINC000433810539 467355031 /nfs/dbraw/zinc/35/50/31/467355031.db2.gz KTZHBTSVDGAHJF-HNNXBMFYSA-N 0 3 343.387 3.074 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@@H]3CCCC[N@H+]3C3CC3)n2)cc1 ZINC000433810539 467355034 /nfs/dbraw/zinc/35/50/34/467355034.db2.gz KTZHBTSVDGAHJF-HNNXBMFYSA-N 0 3 343.387 3.074 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3CCCCN3C3CC3)n2)cc1 ZINC000433810539 467355037 /nfs/dbraw/zinc/35/50/37/467355037.db2.gz KTZHBTSVDGAHJF-HNNXBMFYSA-N 0 3 343.387 3.074 20 5 EEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376150 467384607 /nfs/dbraw/zinc/38/46/07/467384607.db2.gz JQGKKHTWIRWRKD-GXTWGEPZSA-N 0 3 330.392 2.043 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415293152 467536771 /nfs/dbraw/zinc/53/67/71/467536771.db2.gz IIFPMYSYCUWFNL-RYUDHWBXSA-N 0 3 336.392 2.446 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457214449 467778931 /nfs/dbraw/zinc/77/89/31/467778931.db2.gz WPIFJJCMPIHEIY-UHFFFAOYSA-N 0 3 343.811 2.474 20 5 EEBDHN COc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000530866805 468013619 /nfs/dbraw/zinc/01/36/19/468013619.db2.gz FWRRXFCFKNWTFW-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195151 468507300 /nfs/dbraw/zinc/50/73/00/468507300.db2.gz CMDRULAZNYWQNF-CABCVRRESA-N 0 3 335.379 2.410 20 5 EEBDHN CNc1c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597710848 468647386 /nfs/dbraw/zinc/64/73/86/468647386.db2.gz PGSUBJBUMZJTMJ-KRWDZBQOSA-N 0 3 332.404 2.194 20 5 EEBDHN COc1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597921950 468711328 /nfs/dbraw/zinc/71/13/28/468711328.db2.gz IGCUPGMLFLOXLT-SNVBAGLBSA-N 0 3 339.367 2.345 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386470 468858393 /nfs/dbraw/zinc/85/83/93/468858393.db2.gz GSVOFAXTNNKLKN-JJRVBVJISA-N 0 3 346.431 2.467 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101228 468871494 /nfs/dbraw/zinc/87/14/94/468871494.db2.gz NSVKHWUWWUFLIS-HIFRSBDPSA-N 0 3 335.379 2.219 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101229 468871858 /nfs/dbraw/zinc/87/18/58/468871858.db2.gz NSVKHWUWWUFLIS-UKRRQHHQSA-N 0 3 335.379 2.219 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC000561749663 468908058 /nfs/dbraw/zinc/90/80/58/468908058.db2.gz GHDFNNJURWARCJ-LBPRGKRZSA-N 0 3 338.310 2.403 20 5 EEBDHN CC(C)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000598573831 468919135 /nfs/dbraw/zinc/91/91/35/468919135.db2.gz PPILJSBQGQXFOF-OAHLLOKOSA-N 0 3 330.388 2.006 20 5 EEBDHN COC(=O)c1ccnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598587834 468924148 /nfs/dbraw/zinc/92/41/48/468924148.db2.gz DPBPQYXFSCKKLQ-NEPJUHHUSA-N 0 3 336.392 2.309 20 5 EEBDHN COc1ccc(OCCN2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000598646604 468943532 /nfs/dbraw/zinc/94/35/32/468943532.db2.gz HXRHWGRZRMZCND-CYBMUJFWSA-N 0 3 338.404 2.465 20 5 EEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000585718767 469021038 /nfs/dbraw/zinc/02/10/38/469021038.db2.gz XFMLMGPEOPNKFP-AWEZNQCLSA-N 0 3 337.395 2.421 20 5 EEBDHN O=C1CCCC12CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595818614 469026630 /nfs/dbraw/zinc/02/66/30/469026630.db2.gz QUIPGQAILSZBRE-CQSZACIVSA-N 0 3 348.399 2.170 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000610921328 469112203 /nfs/dbraw/zinc/11/22/03/469112203.db2.gz RNDWITCOJOBROO-UHFFFAOYSA-N 0 3 337.424 2.388 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000610921328 469112206 /nfs/dbraw/zinc/11/22/06/469112206.db2.gz RNDWITCOJOBROO-UHFFFAOYSA-N 0 3 337.424 2.388 20 5 EEBDHN COc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000596068278 469138478 /nfs/dbraw/zinc/13/84/78/469138478.db2.gz GQKUFMDUKHUTGP-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CCN(C2CC2)C1 ZINC000596091927 469151938 /nfs/dbraw/zinc/15/19/38/469151938.db2.gz PUUIMQWFRGGFCJ-LLVKDONJSA-N 0 3 328.372 2.222 20 5 EEBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066367 469158176 /nfs/dbraw/zinc/15/81/76/469158176.db2.gz NJCPSYXAKNAEMN-LSDHHAIUSA-N 0 3 333.388 2.085 20 5 EEBDHN C[NH+](C)CCCOc1cnccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596235033 469215926 /nfs/dbraw/zinc/21/59/26/469215926.db2.gz QTUANAHUBRKDPF-UHFFFAOYSA-N 0 3 347.375 2.033 20 5 EEBDHN Nc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596280575 469231118 /nfs/dbraw/zinc/23/11/18/469231118.db2.gz HWWXEBZEHPSYFP-GOEBONIOSA-N 0 3 339.399 2.283 20 5 EEBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336704 469246518 /nfs/dbraw/zinc/24/65/18/469246518.db2.gz RSONGVLDBOZOJG-LLVKDONJSA-N 0 3 336.392 2.451 20 5 EEBDHN Cc1ccncc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120837 469399882 /nfs/dbraw/zinc/39/98/82/469399882.db2.gz YKTXECCJVPZGLO-UONOGXRCSA-N 0 3 331.372 2.389 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccc(O)cc1)OCCO2 ZINC000604532739 469487589 /nfs/dbraw/zinc/48/75/89/469487589.db2.gz ASBJIYWQPDLHSC-UHFFFAOYSA-N 0 3 330.340 2.404 20 5 EEBDHN C[C@H](N[C@@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804122 577231106 /nfs/dbraw/zinc/23/11/06/577231106.db2.gz QMLNSXLHDLQBFY-ZANVPECISA-N 0 3 341.795 2.326 20 5 EEBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772748852 577293733 /nfs/dbraw/zinc/29/37/33/577293733.db2.gz AZOBVULANTXEPQ-SNVBAGLBSA-N 0 3 337.767 2.062 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823634741 606217825 /nfs/dbraw/zinc/21/78/25/606217825.db2.gz LCNKUIOFAAFMLE-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823634741 606217827 /nfs/dbraw/zinc/21/78/27/606217827.db2.gz LCNKUIOFAAFMLE-UHFFFAOYSA-N 0 3 330.373 2.169 20 5 EEBDHN C[C@@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402380 609605930 /nfs/dbraw/zinc/60/59/30/609605930.db2.gz WFQUBMQJQZRIMF-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402380 609605932 /nfs/dbraw/zinc/60/59/32/609605932.db2.gz WFQUBMQJQZRIMF-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN Cc1ccncc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021923233 676550160 /nfs/dbraw/zinc/55/01/60/676550160.db2.gz SBRZGEOIMITDKT-GASCZTMLSA-N 0 3 340.383 2.349 20 5 EEBDHN CSCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985250874 686141642 /nfs/dbraw/zinc/14/16/42/686141642.db2.gz GNCXZRIKKSHXEN-UHFFFAOYSA-N 0 3 337.445 2.381 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2cccnc21 ZINC000905603069 1189789420 /nfs/dbraw/zinc/78/94/20/1189789420.db2.gz VRHISYXTEHNXMJ-LSDHHAIUSA-N 0 3 343.383 2.397 20 5 EEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109053 1201118694 /nfs/dbraw/zinc/11/86/94/1201118694.db2.gz DRHLEQBIYAHXIP-SECBINFHSA-N 0 3 344.345 2.155 20 5 EEBDHN CC(COC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813111130 1201123258 /nfs/dbraw/zinc/12/32/58/1201123258.db2.gz OGPKCLWNZAARCG-SECBINFHSA-N 0 3 326.736 2.289 20 5 EEBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095605422 1205889302 /nfs/dbraw/zinc/88/93/02/1205889302.db2.gz KPHJAHOQZCBSIN-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN CC(C)N(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000075609993 1208781870 /nfs/dbraw/zinc/78/18/70/1208781870.db2.gz UDHFLQZIUYKSIG-UHFFFAOYSA-N 0 3 346.431 2.116 20 5 EEBDHN Cc1ccncc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020044055 1229456236 /nfs/dbraw/zinc/45/62/36/1229456236.db2.gz SBRZGEOIMITDKT-SHTZXODSSA-N 0 3 340.383 2.349 20 5 EEBDHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048734105 1238465901 /nfs/dbraw/zinc/46/59/01/1238465901.db2.gz GYNODTOMVQVDLL-CALCHBBNSA-N 0 3 341.411 2.451 20 5 EEBDHN O=C(c1cc[nH]c1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048835410 1238856517 /nfs/dbraw/zinc/85/65/17/1238856517.db2.gz YTDPNRGVZADBTL-IYBDPMFKSA-N 0 3 340.383 2.127 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)OC ZINC000858579241 1294158662 /nfs/dbraw/zinc/15/86/62/1294158662.db2.gz PLDOFECBDBZVMV-RYUDHWBXSA-N 0 3 341.433 2.463 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001230101566 1303058805 /nfs/dbraw/zinc/05/88/05/1303058805.db2.gz RWHAGYHIHJRDRI-UHFFFAOYSA-N 0 3 348.447 2.017 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC001119343686 1309054439 /nfs/dbraw/zinc/05/44/39/1309054439.db2.gz LHVPOFWFCIPTLV-RDJZCZTQSA-N 0 3 342.399 2.178 20 5 EEBDHN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001120874086 1309805723 /nfs/dbraw/zinc/80/57/23/1309805723.db2.gz IQVZBIJUPMTYOQ-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN Cc1nn(CN2CCC[C@H]2[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617694 1315733983 /nfs/dbraw/zinc/73/39/83/1315733983.db2.gz RAFPTCJWNZXYQW-BBRMVZONSA-N 0 3 345.403 2.496 20 5 EEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000842802392 1315776739 /nfs/dbraw/zinc/77/67/39/1315776739.db2.gz XSQLETYTSSVBEM-NEPJUHHUSA-N 0 3 330.381 2.232 20 5 EEBDHN O=C(COc1ccc(F)cc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150685870 1316343028 /nfs/dbraw/zinc/34/30/28/1316343028.db2.gz UYODOCJJEWAKRM-UHFFFAOYSA-N 0 3 347.346 2.019 20 5 EEBDHN O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CCNC3)c(Cl)c1 ZINC001154848013 1317350030 /nfs/dbraw/zinc/35/00/30/1317350030.db2.gz QFVOISACONBPDH-UHFFFAOYSA-N 0 3 347.684 2.493 20 5 EEBDHN Cc1nccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254468291 1318081785 /nfs/dbraw/zinc/08/17/85/1318081785.db2.gz KFEVNPLQAIUEPH-UHFFFAOYSA-N 0 3 327.388 2.452 20 5 EEBDHN CCOc1ccc([C@@H](CO)N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254572003 1318126636 /nfs/dbraw/zinc/12/66/36/1318126636.db2.gz GBYVYSXYAICVCS-NVXWUHKLSA-N 0 3 343.383 2.179 20 5 EEBDHN Cc1nccnc1O[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612042 1318145870 /nfs/dbraw/zinc/14/58/70/1318145870.db2.gz URGCXCQMYJXVTM-IRXDYDNUSA-N 0 3 340.383 2.314 20 5 EEBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)ns1 ZINC001157208803 1318488607 /nfs/dbraw/zinc/48/86/07/1318488607.db2.gz OXHOQVFJWRLFMG-UHFFFAOYSA-N 0 3 340.430 2.331 20 5 EEBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CCN(C)Cc1ccccc1 ZINC001157556323 1318712565 /nfs/dbraw/zinc/71/25/65/1318712565.db2.gz AMUOCVNMYKECNN-UHFFFAOYSA-N 0 3 330.388 2.105 20 5 EEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001163092584 1321033075 /nfs/dbraw/zinc/03/30/75/1321033075.db2.gz NDDQMHWSJPJSPM-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN Cc1nc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)cs1 ZINC001164516917 1321404196 /nfs/dbraw/zinc/40/41/96/1321404196.db2.gz OBEBMIADIPVWRC-UHFFFAOYSA-N 0 3 340.430 2.331 20 5 EEBDHN CC(C)N1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165200030 1321470013 /nfs/dbraw/zinc/47/00/13/1321470013.db2.gz SKPGVYAHCDOXID-PSKZRQQASA-N 0 3 333.436 2.441 20 5 EEBDHN CC/C(C)=C/C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001205196346 1322310292 /nfs/dbraw/zinc/31/02/92/1322310292.db2.gz LXZRSXQSBLNYPV-UKTHLTGXSA-N 0 3 349.435 2.013 20 5 EEBDHN CCCN1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323760715 1333533059 /nfs/dbraw/zinc/53/30/59/1333533059.db2.gz MLZCGXNWDMRAFY-OAHLLOKOSA-N 0 3 335.404 2.484 20 5 EEBDHN C[NH+](C)CC1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609266697 1351915246 /nfs/dbraw/zinc/91/52/46/1351915246.db2.gz ZSPKZLZMZSRELU-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001336745271 1336589086 /nfs/dbraw/zinc/58/90/86/1336589086.db2.gz OEIMYVAVMCBIHD-OAHLLOKOSA-N 0 3 346.431 2.409 20 5 EEBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001336747032 1336589272 /nfs/dbraw/zinc/58/92/72/1336589272.db2.gz ZNRURHZGBMLVPB-CYBMUJFWSA-N 0 3 325.796 2.391 20 5 EEBDHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001336763083 1336591474 /nfs/dbraw/zinc/59/14/74/1336591474.db2.gz CEXKVGVIFDAKJK-CQSZACIVSA-N 0 3 332.404 2.383 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001589321449 1348982678 /nfs/dbraw/zinc/98/26/78/1348982678.db2.gz CHDCBMAXDIGDKO-CQSZACIVSA-N 0 3 346.391 2.212 20 5 EEBDHN CC(C)([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001589321449 1348982686 /nfs/dbraw/zinc/98/26/86/1348982686.db2.gz CHDCBMAXDIGDKO-CQSZACIVSA-N 0 3 346.391 2.212 20 5 EEBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(C)C ZINC000780857323 1371170195 /nfs/dbraw/zinc/17/01/95/1371170195.db2.gz XAVDRXMDYRDOCJ-UHFFFAOYSA-N 0 3 347.412 2.051 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnn1CCN(C)C ZINC000908269285 785284615 /nfs/dbraw/zinc/28/46/15/785284615.db2.gz UFRSLIMFBYABLO-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EEBDHN Cc1cc(NC/C=C/CNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001107379298 787068540 /nfs/dbraw/zinc/06/85/40/787068540.db2.gz FPZZRBFTCWIZTR-SNAWJCMRSA-N 0 3 346.431 2.472 20 5 EEBDHN COc1cncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845877079 789972338 /nfs/dbraw/zinc/97/23/38/789972338.db2.gz DRPRZFOEERPOIB-YMTOWFKASA-N 0 3 335.291 2.188 20 5 EEBDHN CN(C)C1(C(=O)NCCCNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001094621473 796493556 /nfs/dbraw/zinc/49/35/56/796493556.db2.gz AEHSGMWDGIGHQK-UHFFFAOYSA-N 0 3 338.383 2.136 20 5 EEBDHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173220487 797301571 /nfs/dbraw/zinc/30/15/71/797301571.db2.gz FJHHXOXJLSWFFW-LBPRGKRZSA-N 0 3 329.356 2.497 20 5 EEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ncccn2)C1 ZINC001173236683 797321675 /nfs/dbraw/zinc/32/16/75/797321675.db2.gz FBHXURRDULLSIM-BBRMVZONSA-N 0 3 328.372 2.469 20 5 EEBDHN CN1CCNC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212223988 798094013 /nfs/dbraw/zinc/09/40/13/798094013.db2.gz AXRFJZVHATXIJG-OAHLLOKOSA-N 0 3 346.394 2.409 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccn2c1CCCC2 ZINC001129697542 810960191 /nfs/dbraw/zinc/96/01/91/810960191.db2.gz TWFQPOBJWUKHNG-UHFFFAOYSA-N 0 3 342.399 2.252 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC001131350930 812710955 /nfs/dbraw/zinc/71/09/55/812710955.db2.gz PZOXPJRNGLUWAJ-UHFFFAOYSA-N 0 3 346.412 2.060 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000174877524 231332698 /nfs/dbraw/zinc/33/26/98/231332698.db2.gz GMPMXSDTHIRBEN-INIZCTEOSA-N 0 3 330.388 2.330 20 5 EEBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174881914 231334553 /nfs/dbraw/zinc/33/45/53/231334553.db2.gz QMFLUNBPARKMLL-MRXNPFEDSA-N 0 3 343.431 2.388 20 5 EEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193276193 534938991 /nfs/dbraw/zinc/93/89/91/534938991.db2.gz DZELFNVEBXSQGX-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000159106512 529916604 /nfs/dbraw/zinc/91/66/04/529916604.db2.gz TYBYLDNXPXYVRH-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CN3CCOCC3)CC2)cc1 ZINC000067651432 215174621 /nfs/dbraw/zinc/17/46/21/215174621.db2.gz RMWNQCLUVSHUKV-UHFFFAOYSA-N 0 3 349.431 2.018 20 5 EEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000181065122 234076955 /nfs/dbraw/zinc/07/69/55/234076955.db2.gz DFGGERNSNGMZMF-CYBMUJFWSA-N 0 3 342.399 2.427 20 5 EEBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513613 242281965 /nfs/dbraw/zinc/28/19/65/242281965.db2.gz XPLTWUUCGFKABZ-LSDHHAIUSA-N 0 3 343.387 2.164 20 5 EEBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCCNCC2)CC1 ZINC000236665236 242312500 /nfs/dbraw/zinc/31/25/00/242312500.db2.gz YMRVPIOOQUMKTM-UHFFFAOYSA-N 0 3 346.431 2.267 20 5 EEBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770435 243156083 /nfs/dbraw/zinc/15/60/83/243156083.db2.gz MHSRILMXVOGGOZ-SRMUXQRQSA-N 0 3 333.388 2.469 20 5 EEBDHN CCO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451534642 243148443 /nfs/dbraw/zinc/14/84/43/243148443.db2.gz XXMWFHZWSFLWTI-UKPHBRMFSA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451602122 243174013 /nfs/dbraw/zinc/17/40/13/243174013.db2.gz INFUAJYNFABUMS-YJBOKZPZSA-N 0 3 347.415 2.228 20 5 EEBDHN CN(C)CCn1nnnc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000095425865 218367641 /nfs/dbraw/zinc/36/76/41/218367641.db2.gz CZJRAWYDSIZURD-UHFFFAOYSA-N 0 3 342.812 2.089 20 5 EEBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000117785405 221088413 /nfs/dbraw/zinc/08/84/13/221088413.db2.gz LGFMQVSBNLTUOM-JTQLQIEISA-N 0 3 325.796 2.390 20 5 EEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000267204107 256037540 /nfs/dbraw/zinc/03/75/40/256037540.db2.gz JXTHOPWNENTERO-UHFFFAOYSA-N 0 3 334.376 2.083 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270474927 256139182 /nfs/dbraw/zinc/13/91/82/256139182.db2.gz MLMOXJWESQPERB-QWHCGFSZSA-N 0 3 343.836 2.366 20 5 EEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283042 256228946 /nfs/dbraw/zinc/22/89/46/256228946.db2.gz CJRYJVXVRWEZBF-BXKDBHETSA-N 0 3 349.416 2.012 20 5 EEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191856263 533429634 /nfs/dbraw/zinc/42/96/34/533429634.db2.gz XKPKQKNQYDGRSU-OLZOCXBDSA-N 0 3 349.387 2.054 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCCc2c(O)cccc21 ZINC000192366447 160169807 /nfs/dbraw/zinc/16/98/07/160169807.db2.gz OLYPCHAIEZTGCM-OAHLLOKOSA-N 0 3 329.356 2.129 20 5 EEBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC(=O)NC3)o2)c([N+](=O)[O-])c1 ZINC000237438837 160221655 /nfs/dbraw/zinc/22/16/55/160221655.db2.gz OFNNITMGARBKCO-LLVKDONJSA-N 0 3 345.355 2.232 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337243145 160617358 /nfs/dbraw/zinc/61/73/58/160617358.db2.gz HPKGQJXORNCMBZ-UHFFFAOYSA-N 0 3 328.372 2.194 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)nc1 ZINC000355712575 163278653 /nfs/dbraw/zinc/27/86/53/163278653.db2.gz CBUQXLKSVCJDQC-QGZVFWFLSA-N 0 3 328.372 2.039 20 5 EEBDHN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000370057210 166385403 /nfs/dbraw/zinc/38/54/03/166385403.db2.gz VQUKCJHVYZBPAS-OAHLLOKOSA-N 0 3 343.431 2.425 20 5 EEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000374905114 167064750 /nfs/dbraw/zinc/06/47/50/167064750.db2.gz VPHUODNXDOXBBL-GFCCVEGCSA-N 0 3 347.371 2.070 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277221639 269143605 /nfs/dbraw/zinc/14/36/05/269143605.db2.gz RWHYVHMDPCNBOU-OAHLLOKOSA-N 0 3 345.403 2.031 20 5 EEBDHN CC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006348702 273906236 /nfs/dbraw/zinc/90/62/36/273906236.db2.gz ZSSQRLGDFYJJQV-UHFFFAOYSA-N 0 3 341.433 2.041 20 5 EEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784913 274151457 /nfs/dbraw/zinc/15/14/57/274151457.db2.gz MGSQAWVSYBOHIM-BXKDBHETSA-N 0 3 342.758 2.296 20 5 EEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290045001 275174004 /nfs/dbraw/zinc/17/40/04/275174004.db2.gz AWYOLGFRKCTDRH-CYBMUJFWSA-N 0 3 343.449 2.135 20 5 EEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CCO)COC ZINC000271020811 276429145 /nfs/dbraw/zinc/42/91/45/276429145.db2.gz AJSKMNHMDGTVEL-STQMWFEESA-N 0 3 328.434 2.453 20 5 EEBDHN CN1CCC2(CCCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000368022746 277037839 /nfs/dbraw/zinc/03/78/39/277037839.db2.gz QVXJJPKPKJHXSQ-UHFFFAOYSA-N 0 3 347.371 2.024 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374314791 280661969 /nfs/dbraw/zinc/66/19/69/280661969.db2.gz XJAWXRMQTZDAOR-YJBOKZPZSA-N 0 3 332.448 2.365 20 5 EEBDHN CN1CCC[C@@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294084442 293366227 /nfs/dbraw/zinc/36/62/27/293366227.db2.gz JUQTZRWYNFCCQX-GOSISDBHSA-N 0 3 331.416 2.472 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000296810476 294073440 /nfs/dbraw/zinc/07/34/40/294073440.db2.gz RJLKFXPNXAWSCF-IUODEOHRSA-N 0 3 344.367 2.317 20 5 EEBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000297892150 294367551 /nfs/dbraw/zinc/36/75/51/294367551.db2.gz WVHSQHSVNAMJNO-LBPRGKRZSA-N 0 3 333.392 2.328 20 5 EEBDHN COc1cccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)N(C)C)c1 ZINC000298736038 294573785 /nfs/dbraw/zinc/57/37/85/294573785.db2.gz PWQLLIHATSWRHQ-CQSZACIVSA-N 0 3 333.392 2.360 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000299445770 294745134 /nfs/dbraw/zinc/74/51/34/294745134.db2.gz NOOHERXQWZUPPU-CQSZACIVSA-N 0 3 345.403 2.439 20 5 EEBDHN COc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331049177 311811363 /nfs/dbraw/zinc/81/13/63/311811363.db2.gz HHMLOQWYNIIXJV-CYBMUJFWSA-N 0 3 333.388 2.304 20 5 EEBDHN COCCN(C)CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000505569655 316363395 /nfs/dbraw/zinc/36/33/95/316363395.db2.gz ACFZXBMXCRXSTR-OAHLLOKOSA-N 0 3 347.419 2.450 20 5 EEBDHN CN(C)CCn1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000520608425 316871259 /nfs/dbraw/zinc/87/12/59/316871259.db2.gz YLFJCTRDPGFZRB-UHFFFAOYSA-N 0 3 345.403 2.018 20 5 EEBDHN COc1ccc(CC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000577189766 320240043 /nfs/dbraw/zinc/24/00/43/320240043.db2.gz VGLNDRBIKHSJCM-ZDUSSCGKSA-N 0 3 347.415 2.089 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CC(N)=O)C1CCOCC1 ZINC000181963207 323360760 /nfs/dbraw/zinc/36/07/60/323360760.db2.gz GNFSBXOFELEJSS-MLGOLLRUSA-N 0 3 335.404 2.224 20 5 EEBDHN COc1cc(C(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000296013946 465051979 /nfs/dbraw/zinc/05/19/79/465051979.db2.gz QSZCYNRFGQHFAJ-UHFFFAOYSA-N 0 3 339.367 2.299 20 5 EEBDHN COCCN1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000328170617 465058557 /nfs/dbraw/zinc/05/85/57/465058557.db2.gz JZHBXCTUYUKKOM-LLVKDONJSA-N 0 3 344.209 2.490 20 5 EEBDHN Cn1ccc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000354673275 465087116 /nfs/dbraw/zinc/08/71/16/465087116.db2.gz KYKVNHIWKYJBSU-UHFFFAOYSA-N 0 3 326.303 2.262 20 5 EEBDHN CN(C)c1cc(F)c(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000296119217 465087482 /nfs/dbraw/zinc/08/74/82/465087482.db2.gz YHVOMAZXZXWVPK-UHFFFAOYSA-N 0 3 338.383 2.014 20 5 EEBDHN COc1cc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635787 465138945 /nfs/dbraw/zinc/13/89/45/465138945.db2.gz YDDDWPHDCBBJJN-WFASDCNBSA-N 0 3 347.371 2.089 20 5 EEBDHN CN(C)CC1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000355325980 465241367 /nfs/dbraw/zinc/24/13/67/465241367.db2.gz PCUVXHMWNIJUSD-UHFFFAOYSA-N 0 3 347.824 2.011 20 5 EEBDHN CCNc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356384223 465351680 /nfs/dbraw/zinc/35/16/80/465351680.db2.gz DELBFVUAYJBVBC-DOMZBBRYSA-N 0 3 334.420 2.439 20 5 EEBDHN CC(C)N1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764503 462632225 /nfs/dbraw/zinc/63/22/25/462632225.db2.gz IMQDJGAQUDQQIC-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN COC[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341665 462799976 /nfs/dbraw/zinc/79/99/76/462799976.db2.gz JVUBUMGRTRVSKC-ZDUSSCGKSA-N 0 3 349.387 2.251 20 5 EEBDHN Nc1nc(N[C@@H](CN2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000076267820 462831906 /nfs/dbraw/zinc/83/19/06/462831906.db2.gz DXQWMPNUYDNZJL-ZDUSSCGKSA-N 0 3 328.376 2.216 20 5 EEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(CC2CC2)C1 ZINC000132130721 462842694 /nfs/dbraw/zinc/84/26/94/462842694.db2.gz ASRLNUSAUVPTTI-CQSZACIVSA-N 0 3 342.399 2.219 20 5 EEBDHN CC(C)NC(=O)c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000091482625 462883816 /nfs/dbraw/zinc/88/38/16/462883816.db2.gz AQHVFPMSSMXTLC-CYBMUJFWSA-N 0 3 334.420 2.487 20 5 EEBDHN CN(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171314 462943661 /nfs/dbraw/zinc/94/36/61/462943661.db2.gz OZNBKBSMOWURLF-ZDUSSCGKSA-N 0 3 334.401 2.470 20 5 EEBDHN CN(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016222733 462972647 /nfs/dbraw/zinc/97/26/47/462972647.db2.gz ZTQBGCMVUGILLL-QGZVFWFLSA-N 0 3 343.383 2.393 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000156125280 462983130 /nfs/dbraw/zinc/98/31/30/462983130.db2.gz VPTSNRJCLHFHHR-LBPRGKRZSA-N 0 3 336.392 2.409 20 5 EEBDHN COc1cccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000026712062 463168632 /nfs/dbraw/zinc/16/86/32/463168632.db2.gz TWAULZNWDPSHAW-MRXNPFEDSA-N 0 3 346.383 2.475 20 5 EEBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000068780321 463174584 /nfs/dbraw/zinc/17/45/84/463174584.db2.gz NZUGWOBZBUWBDY-UHFFFAOYSA-N 0 3 336.348 2.059 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN(C(C)C)CC1 ZINC000069083268 463206683 /nfs/dbraw/zinc/20/66/83/463206683.db2.gz QYWXBHRYERIIOE-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN Cc1cc(NC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083941 463319281 /nfs/dbraw/zinc/31/92/81/463319281.db2.gz DEOCJNBDVFGOFL-LBPRGKRZSA-N 0 3 335.385 2.441 20 5 EEBDHN Cc1c(CN2CCC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803482 463327507 /nfs/dbraw/zinc/32/75/07/463327507.db2.gz GWWZQGKMNZJTBU-MRXNPFEDSA-N 0 3 333.432 2.447 20 5 EEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171450226 463866436 /nfs/dbraw/zinc/86/64/36/463866436.db2.gz ILNJAFSWITUNNW-CQSZACIVSA-N 0 3 335.429 2.384 20 5 EEBDHN N[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261848999 463878055 /nfs/dbraw/zinc/87/80/55/463878055.db2.gz VDIJOUIALGOOAV-JKSUJKDBSA-N 0 3 325.368 2.091 20 5 EEBDHN C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000186086137 463934701 /nfs/dbraw/zinc/93/47/01/463934701.db2.gz USASTYKDRGKSKZ-ZDUSSCGKSA-N 0 3 341.433 2.138 20 5 EEBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237753375 464374826 /nfs/dbraw/zinc/37/48/26/464374826.db2.gz TXWZMRSVTXYCLM-CYBMUJFWSA-N 0 3 341.433 2.089 20 5 EEBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCNCC1 ZINC000237876515 464395043 /nfs/dbraw/zinc/39/50/43/464395043.db2.gz JLWYVQKWMMAPRP-UHFFFAOYSA-N 0 3 332.385 2.154 20 5 EEBDHN CN1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000272190806 464512248 /nfs/dbraw/zinc/51/22/48/464512248.db2.gz MIXYRZCDGHENOO-BDJLRTHQSA-N 0 3 330.388 2.010 20 5 EEBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181978215 464543195 /nfs/dbraw/zinc/54/31/95/464543195.db2.gz WWHMSNWKFYPKDO-GFCCVEGCSA-N 0 3 326.418 2.162 20 5 EEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426755 464604002 /nfs/dbraw/zinc/60/40/02/464604002.db2.gz CEJVJLJNCUHNBB-RDJZCZTQSA-N 0 3 346.431 2.263 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCC[C@H](C)C2)n1 ZINC000285974111 464760648 /nfs/dbraw/zinc/76/06/48/464760648.db2.gz BLEODSCHDBZDCO-RYUDHWBXSA-N 0 3 336.392 2.309 20 5 EEBDHN CNC(=O)c1ccc(NC[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299071641 465587199 /nfs/dbraw/zinc/58/71/99/465587199.db2.gz PAEZEGMWFMIYNX-CHWSQXEVSA-N 0 3 334.420 2.487 20 5 EEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078795 465591507 /nfs/dbraw/zinc/59/15/07/465591507.db2.gz IREDOTNTEBHKCG-KGLIPLIRSA-N 0 3 335.404 2.210 20 5 EEBDHN CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000353078272 465620258 /nfs/dbraw/zinc/62/02/58/465620258.db2.gz PSKQMIUJBAHFEE-CYBMUJFWSA-N 0 3 346.391 2.485 20 5 EEBDHN CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353078272 465620266 /nfs/dbraw/zinc/62/02/66/465620266.db2.gz PSKQMIUJBAHFEE-CYBMUJFWSA-N 0 3 346.391 2.485 20 5 EEBDHN CC(C)N(C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495559 465929692 /nfs/dbraw/zinc/92/96/92/465929692.db2.gz IPKQGFLLGDHRJR-INIZCTEOSA-N 0 3 331.420 2.348 20 5 EEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCC2)C1 ZINC000301431526 465962835 /nfs/dbraw/zinc/96/28/35/465962835.db2.gz VPVVFNULQFVEMN-AWEZNQCLSA-N 0 3 346.387 2.226 20 5 EEBDHN CCN1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000301518834 465977268 /nfs/dbraw/zinc/97/72/68/465977268.db2.gz KOKGRYIPWMVMEA-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN COc1cc(NC2CCN([C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301911742 466058809 /nfs/dbraw/zinc/05/88/09/466058809.db2.gz COPDSDLJPQXUCQ-GFCCVEGCSA-N 0 3 339.367 2.408 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332019778 466348006 /nfs/dbraw/zinc/34/80/06/466348006.db2.gz FYLMSSCLXVOJCC-WCQYABFASA-N 0 3 330.388 2.218 20 5 EEBDHN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1=CCN(C)CC1 ZINC000358115475 466469898 /nfs/dbraw/zinc/46/98/98/466469898.db2.gz DEPZTQWPFSFJPW-NSHDSACASA-N 0 3 328.372 2.456 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC000347246795 466507311 /nfs/dbraw/zinc/50/73/11/466507311.db2.gz JOKROPJGOHCTFT-CYBMUJFWSA-N 0 3 335.404 2.467 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CN4CCC[C@H]4CO3)ccc2c1 ZINC000325191078 466654864 /nfs/dbraw/zinc/65/48/64/466654864.db2.gz AAZOSVXHIIEIEC-GJZGRUSLSA-N 0 3 328.372 2.418 20 5 EEBDHN CCc1ccc([C@H](NC[C@@H]2CNCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580226 466778200 /nfs/dbraw/zinc/77/82/00/466778200.db2.gz XKVPUZHCZAHKFQ-FUHWJXTLSA-N 0 3 345.399 2.418 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)C[C@@H]3CO)s2)cc1 ZINC000370398397 466861587 /nfs/dbraw/zinc/86/15/87/466861587.db2.gz HRQMVTBBWPXIQV-KGLIPLIRSA-N 0 3 334.397 2.251 20 5 EEBDHN COC(=O)[C@@]1(C)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412061965 466989242 /nfs/dbraw/zinc/98/92/42/466989242.db2.gz HXUHKKJVPOBHLN-KRWDZBQOSA-N 0 3 349.387 2.199 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186951 467034555 /nfs/dbraw/zinc/03/45/55/467034555.db2.gz TWMZBRMYOGDVBN-GLZXHMCRSA-N 0 3 329.400 2.297 20 5 EEBDHN Cc1cc(NCC2(N(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419012133 467161399 /nfs/dbraw/zinc/16/13/99/467161399.db2.gz VKVFHQSRIPTFIH-UHFFFAOYSA-N 0 3 327.388 2.288 20 5 EEBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413141665 467177968 /nfs/dbraw/zinc/17/79/68/467177968.db2.gz TYCBYGWGSRDKIV-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN(C4CCOCC4)CC3)c2c1 ZINC000413181714 467184807 /nfs/dbraw/zinc/18/48/07/467184807.db2.gz JWNNMDZVMJHDLB-UHFFFAOYSA-N 0 3 342.399 2.444 20 5 EEBDHN CC[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(CC)CC ZINC000427967971 467189655 /nfs/dbraw/zinc/18/96/55/467189655.db2.gz FBCHIGKRWFQFDN-HNNXBMFYSA-N 0 3 335.404 2.436 20 5 EEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451080274 467241764 /nfs/dbraw/zinc/24/17/64/467241764.db2.gz BNFNLKVTDGKDKQ-KGLIPLIRSA-N 0 3 346.431 2.338 20 5 EEBDHN CN(C[C@H]1CCCN1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420633515 467438423 /nfs/dbraw/zinc/43/84/23/467438423.db2.gz JIORMGRSDYPOGK-CQSZACIVSA-N 0 3 332.404 2.017 20 5 EEBDHN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000517622845 468091165 /nfs/dbraw/zinc/09/11/65/468091165.db2.gz NCJRABLXIUOLPT-MJBXVCDLSA-N 0 3 335.404 2.351 20 5 EEBDHN CN(C)c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517733128 468094731 /nfs/dbraw/zinc/09/47/31/468094731.db2.gz YOXYXWYAEDQNAE-QGZVFWFLSA-N 0 3 345.399 2.190 20 5 EEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534517930 468261216 /nfs/dbraw/zinc/26/12/16/468261216.db2.gz RSKSRHKJNLWJEZ-XJKSGUPXSA-N 0 3 346.431 2.391 20 5 EEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1OCCN(C)C ZINC000556737797 468560549 /nfs/dbraw/zinc/56/05/49/468560549.db2.gz UDKMRYOMBSTPER-UHFFFAOYSA-N 0 3 346.387 2.434 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597717089 468650222 /nfs/dbraw/zinc/65/02/22/468650222.db2.gz YIAZOMUPEDVIDI-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCCS(C)(=O)=O ZINC000595034226 468747297 /nfs/dbraw/zinc/74/72/97/468747297.db2.gz WEASQGFUAJYRFS-LBPRGKRZSA-N 0 3 344.433 2.469 20 5 EEBDHN C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000601151257 468762556 /nfs/dbraw/zinc/76/25/56/468762556.db2.gz UUNHYMFILLMOLX-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN COC(=O)c1ccnc(N(C)CC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000598601762 468928289 /nfs/dbraw/zinc/92/82/89/468928289.db2.gz VXALPTVUCHGRHW-LBPRGKRZSA-N 0 3 336.392 2.087 20 5 EEBDHN O=C1NCCC[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602687594 469011816 /nfs/dbraw/zinc/01/18/16/469011816.db2.gz NZEPLPQFCYBIDO-JTQLQIEISA-N 0 3 331.294 2.229 20 5 EEBDHN CC(C)[C@@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783299 469070045 /nfs/dbraw/zinc/07/00/45/469070045.db2.gz JCIBHBVCWZURQV-FUHWJXTLSA-N 0 3 344.415 2.408 20 5 EEBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000573547303 469156557 /nfs/dbraw/zinc/15/65/57/469156557.db2.gz VBNKUDBHJMFJIJ-INIZCTEOSA-N 0 3 347.415 2.210 20 5 EEBDHN COCC1(N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000611178099 469183571 /nfs/dbraw/zinc/18/35/71/469183571.db2.gz DSKQXZPYTWEKNK-UHFFFAOYSA-N 0 3 337.376 2.043 20 5 EEBDHN COCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515124 469269442 /nfs/dbraw/zinc/26/94/42/469269442.db2.gz HSZNDFJANANVRC-AWEZNQCLSA-N 0 3 349.431 2.439 20 5 EEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(CCN(C)C)nn1 ZINC000603213811 469312244 /nfs/dbraw/zinc/31/22/44/469312244.db2.gz CMWFOEFVTDHLNF-UHFFFAOYSA-N 0 3 333.392 2.126 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCCN1C1CC1)OCCO2 ZINC000618068859 469886936 /nfs/dbraw/zinc/88/69/36/469886936.db2.gz LVXBUXPEAPCGJC-HNNXBMFYSA-N 0 3 347.415 2.473 20 5 EEBDHN CCCN(Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368093 470008613 /nfs/dbraw/zinc/00/86/13/470008613.db2.gz FWEIXGJWMGQQMX-OAHLLOKOSA-N 0 3 336.367 2.204 20 5 EEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173993816 528290807 /nfs/dbraw/zinc/29/08/07/528290807.db2.gz IFYRSPOPNHHLKR-AWEZNQCLSA-N 0 3 341.433 2.008 20 5 EEBDHN CCN1CCN(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794401 529146355 /nfs/dbraw/zinc/14/63/55/529146355.db2.gz LTYBIIOUJQUAIB-UHFFFAOYSA-N 0 3 348.447 2.086 20 5 EEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000236816980 534939521 /nfs/dbraw/zinc/93/95/21/534939521.db2.gz IVTMOIMGLDZXMG-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000738313356 578009131 /nfs/dbraw/zinc/00/91/31/578009131.db2.gz HVBMSDUTOPIXTD-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN C[C@H](N[C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803156 577231093 /nfs/dbraw/zinc/23/10/93/577231093.db2.gz OJTNVLMGMFHDIU-ZANVPECISA-N 0 3 341.795 2.326 20 5 EEBDHN Cc1nn(CN2CCN(C3CCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761291501 577681209 /nfs/dbraw/zinc/68/12/09/577681209.db2.gz MRZNJLZVYUSAGQ-UHFFFAOYSA-N 0 3 329.404 2.381 20 5 EEBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169952 577821061 /nfs/dbraw/zinc/82/10/61/577821061.db2.gz PBUPZDPZXDXZJP-OTYXRUKQSA-N 0 3 327.768 2.344 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757786351 577864099 /nfs/dbraw/zinc/86/40/99/577864099.db2.gz DGNZVMVBZGXMGD-IINYFYTJSA-N 0 3 334.376 2.208 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCN2CCc3sccc3C2)c1 ZINC000749684300 577979915 /nfs/dbraw/zinc/97/99/15/577979915.db2.gz AWWUAABVKPZXDI-INIZCTEOSA-N 0 3 347.440 2.338 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736254016 578191096 /nfs/dbraw/zinc/19/10/96/578191096.db2.gz XLDJDXWBRZENPY-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736254016 578191097 /nfs/dbraw/zinc/19/10/97/578191097.db2.gz XLDJDXWBRZENPY-TXEJJXNPSA-N 0 3 345.407 2.450 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736398521 578200989 /nfs/dbraw/zinc/20/09/89/578200989.db2.gz BAAMTZUCHZWQEN-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736398521 578200990 /nfs/dbraw/zinc/20/09/90/578200990.db2.gz BAAMTZUCHZWQEN-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736398521 578200991 /nfs/dbraw/zinc/20/09/91/578200991.db2.gz BAAMTZUCHZWQEN-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736398521 578200992 /nfs/dbraw/zinc/20/09/92/578200992.db2.gz BAAMTZUCHZWQEN-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821599002 599061544 /nfs/dbraw/zinc/06/15/44/599061544.db2.gz BMSQCZNLHBOFNL-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821599002 599061548 /nfs/dbraw/zinc/06/15/48/599061548.db2.gz BMSQCZNLHBOFNL-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821599002 599061550 /nfs/dbraw/zinc/06/15/50/599061550.db2.gz BMSQCZNLHBOFNL-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821599002 599061553 /nfs/dbraw/zinc/06/15/53/599061553.db2.gz BMSQCZNLHBOFNL-ZDUSSCGKSA-N 0 3 345.407 2.086 20 5 EEBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824262060 607736298 /nfs/dbraw/zinc/73/62/98/607736298.db2.gz VMWHXMSLLAEIOA-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824262060 607736299 /nfs/dbraw/zinc/73/62/99/607736299.db2.gz VMWHXMSLLAEIOA-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824262060 607736300 /nfs/dbraw/zinc/73/63/00/607736300.db2.gz VMWHXMSLLAEIOA-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824262060 607736301 /nfs/dbraw/zinc/73/63/01/607736301.db2.gz VMWHXMSLLAEIOA-CYBMUJFWSA-N 0 3 345.407 2.307 20 5 EEBDHN COCCN1CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891863487 676871285 /nfs/dbraw/zinc/87/12/85/676871285.db2.gz YJZJTRPVVRPUSV-UHFFFAOYSA-N 0 3 348.378 2.441 20 5 EEBDHN COc1c(O)ccc(CN(C)CCCn2ccnc2C)c1[N+](=O)[O-] ZINC000894475287 682918039 /nfs/dbraw/zinc/91/80/39/682918039.db2.gz AZWCSOKIHWQJQC-UHFFFAOYSA-N 0 3 334.376 2.336 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233481 683507979 /nfs/dbraw/zinc/50/79/79/683507979.db2.gz VMJSPZLNSWXMGS-WPRPVWTQSA-N 0 3 342.783 2.483 20 5 EEBDHN CCc1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001133839836 1199111438 /nfs/dbraw/zinc/11/14/38/1199111438.db2.gz OHGFBTBKBZFDCZ-UHFFFAOYSA-N 0 3 330.388 2.015 20 5 EEBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)[N+](=O)[O-] ZINC000813108313 1201120123 /nfs/dbraw/zinc/12/01/23/1201120123.db2.gz XKWYVXCZKRWFNF-ZETCQYMHSA-N 0 3 347.249 2.126 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295695 1201486428 /nfs/dbraw/zinc/48/64/28/1201486428.db2.gz APTUDYUKWFNJKB-MNOVXSKESA-N 0 3 332.397 2.078 20 5 EEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000866336283 1201495710 /nfs/dbraw/zinc/49/57/10/1201495710.db2.gz PDLMXLWZHYQWPF-FZMZJTMJSA-N 0 3 344.408 2.222 20 5 EEBDHN CC(C)N(C)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095358383 1204171766 /nfs/dbraw/zinc/17/17/66/1204171766.db2.gz RXUJQRSPKOXTRH-UHFFFAOYSA-N 0 3 348.447 2.268 20 5 EEBDHN CN(C)C1(C(=O)NC2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001095434408 1205742382 /nfs/dbraw/zinc/74/23/82/1205742382.db2.gz LCVYMGDLJGOIOR-UHFFFAOYSA-N 0 3 346.431 2.164 20 5 EEBDHN O=C(C1CCC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048638241 1238159872 /nfs/dbraw/zinc/15/98/72/1238159872.db2.gz OTTVNMJZCZGQNB-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048678212 1238270565 /nfs/dbraw/zinc/27/05/65/1238270565.db2.gz YXYAQKAQLHJGNI-GASCZTMLSA-N 0 3 340.383 2.127 20 5 EEBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097203475 1243819772 /nfs/dbraw/zinc/81/97/72/1243819772.db2.gz LVNVFUOAMWUEIZ-OKILXGFUSA-N 0 3 334.420 2.304 20 5 EEBDHN CCc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001234204971 1304797353 /nfs/dbraw/zinc/79/73/53/1304797353.db2.gz JARPRNNVAASTQF-UHFFFAOYSA-N 0 3 345.403 2.132 20 5 EEBDHN CN1CCN(c2ccc3[nH]c(CCC(C)(C)[N+](=O)[O-])nc3c2)CC1 ZINC001250594143 1317277724 /nfs/dbraw/zinc/27/77/24/1317277724.db2.gz ZNGZLNAHEXPXLG-UHFFFAOYSA-N 0 3 331.420 2.303 20 5 EEBDHN COCC1(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001157815231 1318881155 /nfs/dbraw/zinc/88/11/55/1318881155.db2.gz WGJRIVLDASFJDU-UHFFFAOYSA-N 0 3 341.433 2.069 20 5 EEBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162778322 1320955122 /nfs/dbraw/zinc/95/51/22/1320955122.db2.gz IYMVLKOPLQKICI-VIFPVBQESA-N 0 3 337.339 2.197 20 5 EEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2ncc3c2CCNC3)c1 ZINC001165223874 1321477619 /nfs/dbraw/zinc/47/76/19/1321477619.db2.gz VKDZSGDLAJWQIE-UHFFFAOYSA-N 0 3 330.735 2.023 20 5 EEBDHN Cc1ccoc1CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001166269577 1321689198 /nfs/dbraw/zinc/68/91/98/1321689198.db2.gz HOCRFTKOJORDMD-UHFFFAOYSA-N 0 3 337.401 2.396 20 5 EEBDHN CC([C@H](OC(=O)Cn1cc(C2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC001263518975 1322487303 /nfs/dbraw/zinc/48/73/03/1322487303.db2.gz AEHIGUJPDGLOJR-HWPZZCPQSA-N 0 3 348.334 2.244 20 5 EEBDHN Cn1cc(N2CC[C@H](NCc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC001319849730 1332783800 /nfs/dbraw/zinc/78/38/00/1332783800.db2.gz HNXVTEUMQITKIE-ZDUSSCGKSA-N 0 3 335.795 2.350 20 5 EEBDHN CC(C)(O)CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331551457 1335036056 /nfs/dbraw/zinc/03/60/56/1335036056.db2.gz UJPOXGGTAKARTJ-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CC(=O)c1ccc(OC[C@H](O)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001336956110 1336622435 /nfs/dbraw/zinc/62/24/35/1336622435.db2.gz LIQDOZSYFFTXFS-QGZVFWFLSA-N 0 3 344.367 2.327 20 5 EEBDHN CCN(CC)CC(=O)NCCN(CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001100540530 1338484099 /nfs/dbraw/zinc/48/40/99/1338484099.db2.gz MLEZBBOBPMJLMJ-UHFFFAOYSA-N 0 3 336.436 2.188 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590259558 1349234575 /nfs/dbraw/zinc/23/45/75/1349234575.db2.gz KSUAXRVCERAQKR-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590259558 1349234581 /nfs/dbraw/zinc/23/45/81/1349234581.db2.gz KSUAXRVCERAQKR-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590259558 1349234588 /nfs/dbraw/zinc/23/45/88/1349234588.db2.gz KSUAXRVCERAQKR-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@H]1CCCC[N@H+]1CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590259558 1349234596 /nfs/dbraw/zinc/23/45/96/1349234596.db2.gz KSUAXRVCERAQKR-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN C[C@@H]1CSCCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603949166 1350811324 /nfs/dbraw/zinc/81/13/24/1350811324.db2.gz YBHMVWAHJXMOSF-SNVBAGLBSA-N 0 3 334.405 2.102 20 5 EEBDHN C[C@@H]1CSCCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603949166 1350811329 /nfs/dbraw/zinc/81/13/29/1350811329.db2.gz YBHMVWAHJXMOSF-SNVBAGLBSA-N 0 3 334.405 2.102 20 5 EEBDHN CC(C)CN1CCO[C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553450 1368032857 /nfs/dbraw/zinc/03/28/57/1368032857.db2.gz ANMOQTWQGVMGNK-ZFWWWQNUSA-N 0 3 336.436 2.184 20 5 EEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000107261381 1369121951 /nfs/dbraw/zinc/12/19/51/1369121951.db2.gz WFHQOSDMCUHAGB-UHFFFAOYSA-N 0 3 346.362 2.333 20 5 EEBDHN CC(C)CN1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164657219 719336935 /nfs/dbraw/zinc/33/69/35/719336935.db2.gz CTURJZMXGBOOIQ-WAYWQWQTSA-N 0 3 333.436 2.300 20 5 EEBDHN CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)CN(C)C1CCC1 ZINC001106979455 782757647 /nfs/dbraw/zinc/75/76/47/782757647.db2.gz PBPLGDNRMGJQQO-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC(C)(C)N1CC[C@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845734772 789929289 /nfs/dbraw/zinc/92/92/89/789929289.db2.gz ITXQAHDGGLGOSV-AWEZNQCLSA-N 0 3 346.387 2.361 20 5 EEBDHN CCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845873998 789972150 /nfs/dbraw/zinc/97/21/50/789972150.db2.gz FTPDZHSPFUDEAT-YGRLFVJLSA-N 0 3 336.323 2.391 20 5 EEBDHN Cc1[nH]nc(C(C)C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147108839 791705596 /nfs/dbraw/zinc/70/55/96/791705596.db2.gz DIPFOYHSOJZZEA-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147108839 791705603 /nfs/dbraw/zinc/70/56/03/791705603.db2.gz DIPFOYHSOJZZEA-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnc(C2CC2)s1 ZINC001148603615 792556871 /nfs/dbraw/zinc/55/68/71/792556871.db2.gz PHRJQMBRDRRGLF-UHFFFAOYSA-N 0 3 346.412 2.448 20 5 EEBDHN CN(C)c1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001148960433 792807892 /nfs/dbraw/zinc/80/78/92/792807892.db2.gz GYAAKAMWXTVQFU-UHFFFAOYSA-N 0 3 342.399 2.180 20 5 EEBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000915628832 796338113 /nfs/dbraw/zinc/33/81/13/796338113.db2.gz GCZMIXFVDJIWSN-UHFFFAOYSA-N 0 3 344.415 2.180 20 5 EEBDHN CCOC(=O)C1=C(O)CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227117 797311660 /nfs/dbraw/zinc/31/16/60/797311660.db2.gz OFRBZEVGOBRFQD-BBRMVZONSA-N 0 3 348.399 2.370 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000791063086 809057705 /nfs/dbraw/zinc/05/77/05/809057705.db2.gz WETUOSHQZCDSBG-CQSZACIVSA-N 0 3 334.420 2.336 20 5 EEBDHN Cc1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001130974515 812255825 /nfs/dbraw/zinc/25/58/25/812255825.db2.gz HGVBSDXJRLFNQY-UHFFFAOYSA-N 0 3 327.384 2.352 20 5 EEBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130858475 223182214 /nfs/dbraw/zinc/18/22/14/223182214.db2.gz JRYNUYSSQMNYOF-ZDUSSCGKSA-N 0 3 345.403 2.449 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000426930820 241357793 /nfs/dbraw/zinc/35/77/93/241357793.db2.gz FFMLNKJYBHCERF-STQMWFEESA-N 0 3 335.404 2.454 20 5 EEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000451542746 243151184 /nfs/dbraw/zinc/15/11/84/243151184.db2.gz ADBQANZBENUFCO-DOTOQJQBSA-N 0 3 330.388 2.032 20 5 EEBDHN CC(C)[C@H](CO)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600446 243171371 /nfs/dbraw/zinc/17/13/71/243171371.db2.gz RTFSPUOTAGQHBI-HOCLYGCPSA-N 0 3 337.420 2.072 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451598225 243171725 /nfs/dbraw/zinc/17/17/25/243171725.db2.gz DVDCMADOJSBSFA-YJBOKZPZSA-N 0 3 347.415 2.228 20 5 EEBDHN COC(=O)[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000265023132 247142543 /nfs/dbraw/zinc/14/25/43/247142543.db2.gz HIMLLYHCRFOHPA-CQSZACIVSA-N 0 3 334.372 2.379 20 5 EEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087296 248086721 /nfs/dbraw/zinc/08/67/21/248086721.db2.gz OBSZYPXJAHYNST-FZMZJTMJSA-N 0 3 330.388 2.488 20 5 EEBDHN O=[N+]([O-])c1ccc(CCN(CCO)CCOCC(F)(F)F)cc1 ZINC000264933007 285110428 /nfs/dbraw/zinc/11/04/28/285110428.db2.gz QIXXATQTWXOYFJ-UHFFFAOYSA-N 0 3 336.310 2.011 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117746270 221085430 /nfs/dbraw/zinc/08/54/30/221085430.db2.gz MAWYDOGZKZLMOR-CYBMUJFWSA-N 0 3 325.796 2.391 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c2ncccc12 ZINC000267325413 256049039 /nfs/dbraw/zinc/04/90/39/256049039.db2.gz AXFBAKGYQQESCF-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270532418 256145416 /nfs/dbraw/zinc/14/54/16/256145416.db2.gz OOFJZUACTQIVCG-OAHLLOKOSA-N 0 3 334.420 2.121 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000275994493 256393755 /nfs/dbraw/zinc/39/37/55/256393755.db2.gz OAUDYCRYFRUHCB-UHFFFAOYSA-N 0 3 343.330 2.410 20 5 EEBDHN COCCN1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276405565 256429357 /nfs/dbraw/zinc/42/93/57/256429357.db2.gz LISZRACPDXBNNA-CYBMUJFWSA-N 0 3 336.392 2.054 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000123187790 292279390 /nfs/dbraw/zinc/27/93/90/292279390.db2.gz SUHQESXNELNIJD-DOMZBBRYSA-N 0 3 344.415 2.288 20 5 EEBDHN CC[C@@H](C)N[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538404 153426178 /nfs/dbraw/zinc/42/61/78/153426178.db2.gz AXVPRXZYJKGSIY-MWLCHTKSSA-N 0 3 335.364 2.079 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000246512840 286381247 /nfs/dbraw/zinc/38/12/47/286381247.db2.gz QPHKCFWDULSQKY-WFASDCNBSA-N 0 3 333.388 2.160 20 5 EEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000342408451 161062997 /nfs/dbraw/zinc/06/29/97/161062997.db2.gz CDALOOYBEDUYNM-YSVLISHTSA-N 0 3 335.379 2.471 20 5 EEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000345119435 161273203 /nfs/dbraw/zinc/27/32/03/161273203.db2.gz RETCFXKIOURAAX-AWEZNQCLSA-N 0 3 332.404 2.015 20 5 EEBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354920950 163018154 /nfs/dbraw/zinc/01/81/54/163018154.db2.gz PGTJNRLBZDWLLH-JTQLQIEISA-N 0 3 337.767 2.062 20 5 EEBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000355303253 163137525 /nfs/dbraw/zinc/13/75/25/163137525.db2.gz GGMRJLDRTRNVGT-KRWDZBQOSA-N 0 3 341.367 2.414 20 5 EEBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000359816064 164177125 /nfs/dbraw/zinc/17/71/25/164177125.db2.gz VWFBFEGHGKKTPX-DZGCQCFKSA-N 0 3 342.399 2.326 20 5 EEBDHN CC(=O)N[C@@H](C)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360622366 164353719 /nfs/dbraw/zinc/35/37/19/164353719.db2.gz XITYYCJXBIAATD-ZDUSSCGKSA-N 0 3 335.404 2.210 20 5 EEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250663 166221259 /nfs/dbraw/zinc/22/12/59/166221259.db2.gz MDAYOTUDJZYWIL-DLBZAZTESA-N 0 3 330.388 2.416 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000374841076 167049067 /nfs/dbraw/zinc/04/90/67/167049067.db2.gz DDPSVWGEFKLFSP-NSHDSACASA-N 0 3 336.367 2.017 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000375901299 167222401 /nfs/dbraw/zinc/22/24/01/167222401.db2.gz BBKXQFWDFSMBDN-SJORKVTESA-N 0 3 342.399 2.178 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272625731 269000877 /nfs/dbraw/zinc/00/08/77/269000877.db2.gz VLAITBHGTNHODS-WDEREUQCSA-N 0 3 341.795 2.226 20 5 EEBDHN Cc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275119959 269096391 /nfs/dbraw/zinc/09/63/91/269096391.db2.gz HACFHFDWHGUQCR-GFCCVEGCSA-N 0 3 345.321 2.404 20 5 EEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000274508229 274201362 /nfs/dbraw/zinc/20/13/62/274201362.db2.gz UAJTYYGMPZCMDP-NSHDSACASA-N 0 3 327.816 2.081 20 5 EEBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000493240692 275039465 /nfs/dbraw/zinc/03/94/65/275039465.db2.gz WPTRSIXIWJGRIN-ZDUSSCGKSA-N 0 3 339.823 2.402 20 5 EEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579239 275071974 /nfs/dbraw/zinc/07/19/74/275071974.db2.gz XHNNXHFYJBFSLO-WDEREUQCSA-N 0 3 336.367 2.015 20 5 EEBDHN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000290882385 275248905 /nfs/dbraw/zinc/24/89/05/275248905.db2.gz CCKAUMDBPITEMI-FZMZJTMJSA-N 0 3 343.387 2.192 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000346141733 279279401 /nfs/dbraw/zinc/27/94/01/279279401.db2.gz RERWYZQJOLJTSZ-GFCCVEGCSA-N 0 3 328.372 2.337 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000183894020 281018261 /nfs/dbraw/zinc/01/82/61/281018261.db2.gz QHLWFRIJSHFGQW-AWEZNQCLSA-N 0 3 349.435 2.051 20 5 EEBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465114 292828056 /nfs/dbraw/zinc/82/80/56/292828056.db2.gz KERMPZHTVQGKLO-ZBFHGGJFSA-N 0 3 326.368 2.390 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000293654599 293262660 /nfs/dbraw/zinc/26/26/60/293262660.db2.gz HEGOMMVIYDIOCO-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293726288 293280301 /nfs/dbraw/zinc/28/03/01/293280301.db2.gz QBKPSWRMYRXRBH-CQSZACIVSA-N 0 3 346.431 2.340 20 5 EEBDHN Cc1cc(OCC(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294187256 293391503 /nfs/dbraw/zinc/39/15/03/293391503.db2.gz PJEBMYOGHXUAGK-GOSISDBHSA-N 0 3 347.415 2.226 20 5 EEBDHN CC(C)[C@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000297310647 294208753 /nfs/dbraw/zinc/20/87/53/294208753.db2.gz BRSQXNYNZCQYSP-KRWDZBQOSA-N 0 3 346.387 2.282 20 5 EEBDHN CN(C)C1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000416309999 313207845 /nfs/dbraw/zinc/20/78/45/313207845.db2.gz XSIOMCXLCRUXBO-UHFFFAOYSA-N 0 3 340.383 2.481 20 5 EEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416661162 313288741 /nfs/dbraw/zinc/28/87/41/313288741.db2.gz LQUYMLYISPNBGB-UHFFFAOYSA-N 0 3 341.433 2.090 20 5 EEBDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000420934899 314001813 /nfs/dbraw/zinc/00/18/13/314001813.db2.gz XVNVMELKZZUHRY-TZMCWYRMSA-N 0 3 338.408 2.234 20 5 EEBDHN C[C@H]1CCN(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000524720895 317023786 /nfs/dbraw/zinc/02/37/86/317023786.db2.gz LBXADZGSNNWPDK-LBPRGKRZSA-N 0 3 332.404 2.241 20 5 EEBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCCCC2)c2c(c1)COCO2 ZINC000541051628 318091599 /nfs/dbraw/zinc/09/15/99/318091599.db2.gz RATUCBRXVNMQKO-INIZCTEOSA-N 0 3 336.388 2.492 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2ccncc2)C1 ZINC000574355502 320017579 /nfs/dbraw/zinc/01/75/79/320017579.db2.gz WMSYLXAKELGNJG-JKSUJKDBSA-N 0 3 343.383 2.219 20 5 EEBDHN Cc1noc(C)c1C[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860331 320280557 /nfs/dbraw/zinc/28/05/57/320280557.db2.gz XKHHMAQEKBESLA-SMDDNHRTSA-N 0 3 349.387 2.160 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358650918 465243147 /nfs/dbraw/zinc/24/31/47/465243147.db2.gz MSFFWRVTQDFABQ-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN C[C@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C ZINC000127516045 462560171 /nfs/dbraw/zinc/56/01/71/462560171.db2.gz YVRWNHPCYMBTOJ-WDEREUQCSA-N 0 3 331.376 2.026 20 5 EEBDHN CC(C)(CO)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000590689905 468308125 /nfs/dbraw/zinc/30/81/25/468308125.db2.gz DCFGDAZIDSRHDF-UHFFFAOYSA-N 0 3 330.388 2.036 20 5 EEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763950 462631888 /nfs/dbraw/zinc/63/18/88/462631888.db2.gz RPNJYSIBODBVLK-CQSZACIVSA-N 0 3 334.420 2.121 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000076925921 462921871 /nfs/dbraw/zinc/92/18/71/462921871.db2.gz CJTWGNVSRDWFDR-AWEZNQCLSA-N 0 3 333.388 2.304 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000076925922 462922370 /nfs/dbraw/zinc/92/23/70/462922370.db2.gz CJTWGNVSRDWFDR-CQSZACIVSA-N 0 3 333.388 2.304 20 5 EEBDHN CCN(CC)C(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717179 462934547 /nfs/dbraw/zinc/93/45/47/462934547.db2.gz NSRGKDVKMCAPJK-GFCCVEGCSA-N 0 3 342.417 2.075 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000027118371 463181723 /nfs/dbraw/zinc/18/17/23/463181723.db2.gz MOJIVSWHIUEKDQ-UHFFFAOYSA-N 0 3 346.431 2.402 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000069534443 463271426 /nfs/dbraw/zinc/27/14/26/463271426.db2.gz ZFIYMJSQGBBJED-VIFPVBQESA-N 0 3 336.348 2.024 20 5 EEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055400467 463315183 /nfs/dbraw/zinc/31/51/83/463315183.db2.gz VTFCIOIFHVQSDD-ZIAGYGMSSA-N 0 3 335.404 2.210 20 5 EEBDHN Nc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000071952818 463477835 /nfs/dbraw/zinc/47/78/35/463477835.db2.gz VDNKLEKTASHWTM-CYBMUJFWSA-N 0 3 328.376 2.044 20 5 EEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)C1CC1 ZINC000152043836 463635179 /nfs/dbraw/zinc/63/51/79/463635179.db2.gz MHIIPBLMNNLNLN-NSHDSACASA-N 0 3 328.372 2.356 20 5 EEBDHN CN(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000269291704 463942972 /nfs/dbraw/zinc/94/29/72/463942972.db2.gz UVHAROAYZCYABJ-UHFFFAOYSA-N 0 3 342.193 2.181 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269352260 463961851 /nfs/dbraw/zinc/96/18/51/463961851.db2.gz GVFFSMMYNMEHEK-VXGBXAGGSA-N 0 3 337.424 2.292 20 5 EEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000283662808 463965924 /nfs/dbraw/zinc/96/59/24/463965924.db2.gz DVXVNZBKDQENKL-LLVKDONJSA-N 0 3 336.367 2.017 20 5 EEBDHN CC1(C)C[C@H](NC[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989258 464020952 /nfs/dbraw/zinc/02/09/52/464020952.db2.gz DPNYWBUAYZFXLM-ABAIWWIYSA-N 0 3 338.429 2.342 20 5 EEBDHN COC(=O)[C@]12CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000284315184 464146656 /nfs/dbraw/zinc/14/66/56/464146656.db2.gz ASJMSQSJLSODNZ-UWWQBHOKSA-N 0 3 348.399 2.293 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](N)c1ccccc1 ZINC000237663624 464361483 /nfs/dbraw/zinc/36/14/83/464361483.db2.gz ZVFGWONLMUETBA-HNNXBMFYSA-N 0 3 349.412 2.190 20 5 EEBDHN COCCN(C)CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189022908 464417165 /nfs/dbraw/zinc/41/71/65/464417165.db2.gz FWAWNNDMKZLCDL-UHFFFAOYSA-N 0 3 337.420 2.416 20 5 EEBDHN CCN1CCN(C[C@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000189447797 464507385 /nfs/dbraw/zinc/50/73/85/464507385.db2.gz MSJKQEFKMWKMFM-CQSZACIVSA-N 0 3 336.436 2.289 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272258092 464539858 /nfs/dbraw/zinc/53/98/58/464539858.db2.gz AIFDWGUXKYNZSR-SJCJKPOMSA-N 0 3 344.415 2.335 20 5 EEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000272463526 464621536 /nfs/dbraw/zinc/62/15/36/464621536.db2.gz SEIYURULANGSFE-UHFFFAOYSA-N 0 3 329.303 2.020 20 5 EEBDHN Cc1[nH]ncc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506308 464637422 /nfs/dbraw/zinc/63/74/22/464637422.db2.gz ICZOCFUDRYHNNC-OAHLLOKOSA-N 0 3 326.360 2.239 20 5 EEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000182445020 464656113 /nfs/dbraw/zinc/65/61/13/464656113.db2.gz DRXDLWFXIFABQO-WBVHZDCISA-N 0 3 346.431 2.263 20 5 EEBDHN CN(c1ccccc1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176219542 464722543 /nfs/dbraw/zinc/72/25/43/464722543.db2.gz CRSLUDNAWZSSBM-UHFFFAOYSA-N 0 3 329.404 2.392 20 5 EEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000176229038 464725498 /nfs/dbraw/zinc/72/54/98/464725498.db2.gz QBBZRWYKDMZNNH-UHFFFAOYSA-N 0 3 345.403 2.015 20 5 EEBDHN Nc1c(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177060163 464920815 /nfs/dbraw/zinc/92/08/15/464920815.db2.gz AXLQTMQNXUKASU-WOSRLPQWSA-N 0 3 344.415 2.123 20 5 EEBDHN CC(C)(C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786443 464963336 /nfs/dbraw/zinc/96/33/36/464963336.db2.gz ZHYQCERAFXSHJX-CJNGLKHVSA-N 0 3 349.431 2.242 20 5 EEBDHN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCN(C)CC1 ZINC000599985531 468428581 /nfs/dbraw/zinc/42/85/81/468428581.db2.gz FAYWTXOYEFPGAB-UHFFFAOYSA-N 0 3 344.415 2.492 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339623978 465398313 /nfs/dbraw/zinc/39/83/13/465398313.db2.gz UTFSSOTXOAZKCT-ZIAGYGMSSA-N 0 3 334.420 2.256 20 5 EEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC000366908195 466009976 /nfs/dbraw/zinc/00/99/76/466009976.db2.gz CRLANCWKUASBPT-NVXWUHKLSA-N 0 3 337.395 2.467 20 5 EEBDHN Cn1ccnc1[C@H](NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625072 466019276 /nfs/dbraw/zinc/01/92/76/466019276.db2.gz VKAWZHQRHCONBM-QGZVFWFLSA-N 0 3 341.415 2.269 20 5 EEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254452 466032150 /nfs/dbraw/zinc/03/21/50/466032150.db2.gz BCMSXTKTJTXOCT-VBQJREDUSA-N 0 3 331.416 2.326 20 5 EEBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000349379617 466089651 /nfs/dbraw/zinc/08/96/51/466089651.db2.gz CGTHMHKHLROFTH-MLGOLLRUSA-N 0 3 330.388 2.198 20 5 EEBDHN O=[N+]([O-])c1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155567 466191130 /nfs/dbraw/zinc/19/11/30/466191130.db2.gz GFSSXXGEAMNCGL-QWHCGFSZSA-N 0 3 334.372 2.320 20 5 EEBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000304553621 466305939 /nfs/dbraw/zinc/30/59/39/466305939.db2.gz VXPLFQVFVKFRAY-QGZVFWFLSA-N 0 3 330.388 2.163 20 5 EEBDHN COc1c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332098399 466386499 /nfs/dbraw/zinc/38/64/99/466386499.db2.gz XSUSTGKLRWHZQK-QWHCGFSZSA-N 0 3 333.388 2.302 20 5 EEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362080231 466539802 /nfs/dbraw/zinc/53/98/02/466539802.db2.gz RJXKBXDMBGOKQG-CRAIPNDOSA-N 0 3 332.448 2.053 20 5 EEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417715306 466916080 /nfs/dbraw/zinc/91/60/80/466916080.db2.gz JSSUMTNMRKSWKN-UONOGXRCSA-N 0 3 334.420 2.309 20 5 EEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000377512166 467076913 /nfs/dbraw/zinc/07/69/13/467076913.db2.gz QFEUDQSYUNXNEP-CQSZACIVSA-N 0 3 332.404 2.094 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452018280 467305031 /nfs/dbraw/zinc/30/50/31/467305031.db2.gz QJYMTBLOYWECOD-GDBMZVCRSA-N 0 3 333.388 2.031 20 5 EEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCN1CCOC(C)(C)C1 ZINC000434692618 467419705 /nfs/dbraw/zinc/41/97/05/467419705.db2.gz HODNSURWTQEVPL-UHFFFAOYSA-N 0 3 337.420 2.016 20 5 EEBDHN CN(C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1cccs1 ZINC000420586937 467429610 /nfs/dbraw/zinc/42/96/10/467429610.db2.gz PAGYZZFNHQOJRB-GFCCVEGCSA-N 0 3 334.401 2.470 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CNCCO2)s1 ZINC000415095319 467488026 /nfs/dbraw/zinc/48/80/26/467488026.db2.gz LXRCOQPIDBAVQL-GFCCVEGCSA-N 0 3 333.413 2.401 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)c(OC(F)F)c1 ZINC000450590955 467875635 /nfs/dbraw/zinc/87/56/35/467875635.db2.gz FJFUPPSQXZJRHC-LBPRGKRZSA-N 0 3 345.346 2.455 20 5 EEBDHN Cn1ccnc1[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869519 467960198 /nfs/dbraw/zinc/96/01/98/467960198.db2.gz ATBJUSIYUDXBPL-CYBMUJFWSA-N 0 3 343.387 2.146 20 5 EEBDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488195744 468076273 /nfs/dbraw/zinc/07/62/73/468076273.db2.gz DKOLIWYLCSFFPW-XJKSGUPXSA-N 0 3 334.420 2.194 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1COCCN1 ZINC000600712195 468629149 /nfs/dbraw/zinc/62/91/49/468629149.db2.gz UPICCYBIYUBGDK-OLZOCXBDSA-N 0 3 325.434 2.044 20 5 EEBDHN COc1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1C ZINC000597712071 468647805 /nfs/dbraw/zinc/64/78/05/468647805.db2.gz ZPATXAMGAAFYBK-GOSISDBHSA-N 0 3 347.415 2.470 20 5 EEBDHN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C)C1 ZINC000592831700 468798941 /nfs/dbraw/zinc/79/89/41/468798941.db2.gz NTPVWZMCCPUIOV-LBPRGKRZSA-N 0 3 331.376 2.027 20 5 EEBDHN CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C)C1 ZINC000592832177 468799233 /nfs/dbraw/zinc/79/92/33/468799233.db2.gz SIFGYQNYJXVZGO-MRXNPFEDSA-N 0 3 344.415 2.492 20 5 EEBDHN CC(C)n1cc(C2=CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000595514242 468884317 /nfs/dbraw/zinc/88/43/17/468884317.db2.gz CCLBSJMMOGPYFG-UHFFFAOYSA-N 0 3 345.407 2.143 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000598574456 468919517 /nfs/dbraw/zinc/91/95/17/468919517.db2.gz RGTBQULRNIPKOT-INIZCTEOSA-N 0 3 330.388 2.075 20 5 EEBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602722722 469032584 /nfs/dbraw/zinc/03/25/84/469032584.db2.gz BWSYSXFSJYGWRJ-JGZJWPJOSA-N 0 3 346.330 2.108 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714606 469048368 /nfs/dbraw/zinc/04/83/68/469048368.db2.gz VMHKVZIXJSLRAW-HWPZZCPQSA-N 0 3 328.372 2.289 20 5 EEBDHN CCc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 ZINC000602499309 469340850 /nfs/dbraw/zinc/34/08/50/469340850.db2.gz JELWUXPAQQGWCD-UHFFFAOYSA-N 0 3 331.376 2.299 20 5 EEBDHN COc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602511848 469344182 /nfs/dbraw/zinc/34/41/82/469344182.db2.gz UUTVHNWZXWNUND-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000603422251 469390441 /nfs/dbraw/zinc/39/04/41/469390441.db2.gz DUUQVTKROMRSEK-INIZCTEOSA-N 0 3 348.447 2.112 20 5 EEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000425048762 536488668 /nfs/dbraw/zinc/48/86/68/536488668.db2.gz CTUZRRQLARQZRA-BLLLJJGKSA-N 0 3 340.383 2.309 20 5 EEBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000732667199 577187423 /nfs/dbraw/zinc/18/74/23/577187423.db2.gz KZKOTIHIGUEZBB-UHFFFAOYSA-N 0 3 338.364 2.050 20 5 EEBDHN CC(=O)Nc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777444975 577479063 /nfs/dbraw/zinc/47/90/63/577479063.db2.gz CSSCXDUEWQIPQJ-KRWDZBQOSA-N 0 3 329.356 2.376 20 5 EEBDHN COc1ccc(OCCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250564 577803115 /nfs/dbraw/zinc/80/31/15/577803115.db2.gz JXDHPJMFTFPSMU-QGZVFWFLSA-N 0 3 332.356 2.305 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638873 577979315 /nfs/dbraw/zinc/97/93/15/577979315.db2.gz LZHXMKBOCLDCBI-PKOBYXMFSA-N 0 3 341.411 2.492 20 5 EEBDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000934398458 678334633 /nfs/dbraw/zinc/33/46/33/678334633.db2.gz ZKRZYDMVEXFTMW-NYUZSIGZSA-N 0 3 329.400 2.440 20 5 EEBDHN O=C(CC1CCOCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020035941 683525963 /nfs/dbraw/zinc/52/59/63/683525963.db2.gz TYEDUJSIBDCRDN-WKILWMFISA-N 0 3 347.415 2.148 20 5 EEBDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867401 1189943428 /nfs/dbraw/zinc/94/34/28/1189943428.db2.gz NJGRLFFPZDROAO-RVBZMBCESA-N 0 3 327.768 2.200 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CC[C@H](O)C1 ZINC000872090082 1198044618 /nfs/dbraw/zinc/04/46/18/1198044618.db2.gz LIWFIMMDBODCDQ-AAEUAGOBSA-N 0 3 325.434 2.034 20 5 EEBDHN COCCNC(=O)C1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876561879 1199670942 /nfs/dbraw/zinc/67/09/42/1199670942.db2.gz VMOHNYUBJLZKTA-UHFFFAOYSA-N 0 3 349.431 2.186 20 5 EEBDHN COc1cccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877339752 1199907063 /nfs/dbraw/zinc/90/70/63/1199907063.db2.gz ANGLIYHTXHBNBL-AWEZNQCLSA-N 0 3 341.367 2.048 20 5 EEBDHN Cc1cccc(C(=O)NC[C@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877347452 1199909907 /nfs/dbraw/zinc/90/99/07/1199909907.db2.gz XZRIVTWEACPTKD-OAHLLOKOSA-N 0 3 325.368 2.348 20 5 EEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)(CO)CC3)o2)cc1 ZINC000877797158 1200113708 /nfs/dbraw/zinc/11/37/08/1200113708.db2.gz DOQIZMDQWAMRPW-UHFFFAOYSA-N 0 3 346.383 2.422 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1nc(Cl)cs1 ZINC001132872414 1200136666 /nfs/dbraw/zinc/13/66/66/1200136666.db2.gz KLDWCWIRHFGMKC-UHFFFAOYSA-N 0 3 340.792 2.224 20 5 EEBDHN C[C@H]1CN(CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000882075491 1201812227 /nfs/dbraw/zinc/81/22/27/1201812227.db2.gz WIPOIEGQODKCOT-RYUDHWBXSA-N 0 3 326.372 2.430 20 5 EEBDHN CC(C)N(C)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095418572 1205721853 /nfs/dbraw/zinc/72/18/53/1205721853.db2.gz QFTWNYUVTLDMNB-UHFFFAOYSA-N 0 3 334.420 2.020 20 5 EEBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2C2OCCO2)cccc1[N+](=O)[O-] ZINC000933904225 1207866339 /nfs/dbraw/zinc/86/63/39/1207866339.db2.gz VUBQUIAICSFEGV-OAHLLOKOSA-N 0 3 349.387 2.069 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1C1OCCO1 ZINC000933904608 1207866570 /nfs/dbraw/zinc/86/65/70/1207866570.db2.gz ZBTIATBOFSPKQY-OAHLLOKOSA-N 0 3 349.387 2.069 20 5 EEBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114773703 1215265406 /nfs/dbraw/zinc/26/54/06/1215265406.db2.gz ZAUDCMXAGVKUKO-HDJSIYSDSA-N 0 3 334.420 2.243 20 5 EEBDHN CC(C)C[C@@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000902544004 1237846869 /nfs/dbraw/zinc/84/68/69/1237846869.db2.gz VIMRHDXBFAASCL-CQSZACIVSA-N 0 3 348.403 2.122 20 5 EEBDHN O=C(CC1CC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048639844 1238163701 /nfs/dbraw/zinc/16/37/01/1238163701.db2.gz JPFFRFZVTPXWJT-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN COCCN1CCC[C@H]1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000861034962 1295224569 /nfs/dbraw/zinc/22/45/69/1295224569.db2.gz NPGRHXCBCBPWPP-INIZCTEOSA-N 0 3 336.388 2.181 20 5 EEBDHN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001120874084 1309805394 /nfs/dbraw/zinc/80/53/94/1309805394.db2.gz IQVZBIJUPMTYOQ-LRDDRELGSA-N 0 3 329.404 2.189 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000839660549 1315227657 /nfs/dbraw/zinc/22/76/57/1315227657.db2.gz WKNIFJHSHCDDIR-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000839660549 1315227659 /nfs/dbraw/zinc/22/76/59/1315227659.db2.gz WKNIFJHSHCDDIR-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000839660549 1315227662 /nfs/dbraw/zinc/22/76/62/1315227662.db2.gz WKNIFJHSHCDDIR-LBPRGKRZSA-N 0 3 331.376 2.410 20 5 EEBDHN Cc1ccc(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001152267971 1316651993 /nfs/dbraw/zinc/65/19/93/1316651993.db2.gz WRJMWALGUUSIFJ-UHFFFAOYSA-N 0 3 331.372 2.335 20 5 EEBDHN COc1cc(N2CCC(N(C)C3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC001256100850 1318646650 /nfs/dbraw/zinc/64/66/50/1318646650.db2.gz QKVRHAIASCICSL-UHFFFAOYSA-N 0 3 335.404 2.293 20 5 EEBDHN CCCOCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163699288 1321196425 /nfs/dbraw/zinc/19/64/25/1321196425.db2.gz WTYRQDLAJUNRPO-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1 ZINC001165274573 1321489988 /nfs/dbraw/zinc/48/99/88/1321489988.db2.gz PCPPFKHABCEVNY-ZFWWWQNUSA-N 0 3 348.790 2.364 20 5 EEBDHN CCC[N@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609212956 1351894818 /nfs/dbraw/zinc/89/48/18/1351894818.db2.gz WXHOSAXMBXILNZ-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN CCC[N@@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609212956 1351894821 /nfs/dbraw/zinc/89/48/21/1351894821.db2.gz WXHOSAXMBXILNZ-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN CCC[N@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609212956 1351894824 /nfs/dbraw/zinc/89/48/24/1351894824.db2.gz WXHOSAXMBXILNZ-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN CCC[N@@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609212956 1351894825 /nfs/dbraw/zinc/89/48/25/1351894825.db2.gz WXHOSAXMBXILNZ-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609222952 1351900630 /nfs/dbraw/zinc/90/06/30/1351900630.db2.gz JCHFMILGUFJHEE-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609222952 1351900631 /nfs/dbraw/zinc/90/06/31/1351900631.db2.gz JCHFMILGUFJHEE-UHFFFAOYSA-N 0 3 333.396 2.227 20 5 EEBDHN COC[C@@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609320045 1351931980 /nfs/dbraw/zinc/93/19/80/1351931980.db2.gz VFDCFYWHAJMVEI-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609320045 1351931983 /nfs/dbraw/zinc/93/19/83/1351931983.db2.gz VFDCFYWHAJMVEI-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609320045 1351931986 /nfs/dbraw/zinc/93/19/86/1351931986.db2.gz VFDCFYWHAJMVEI-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN COC[C@@H]1CCCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609320045 1351931990 /nfs/dbraw/zinc/93/19/90/1351931990.db2.gz VFDCFYWHAJMVEI-GFCCVEGCSA-N 0 3 346.391 2.023 20 5 EEBDHN CC(C)Oc1nc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659641 1338737357 /nfs/dbraw/zinc/73/73/57/1338737357.db2.gz OJBOVNCTEDHQPO-OLZOCXBDSA-N 0 3 336.392 2.052 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259534 1349235499 /nfs/dbraw/zinc/23/54/99/1349235499.db2.gz LCDMXGFESNUJLG-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590259534 1349235502 /nfs/dbraw/zinc/23/55/02/1349235502.db2.gz LCDMXGFESNUJLG-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259534 1349235506 /nfs/dbraw/zinc/23/55/06/1349235506.db2.gz LCDMXGFESNUJLG-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590259534 1349235508 /nfs/dbraw/zinc/23/55/08/1349235508.db2.gz LCDMXGFESNUJLG-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260761 1349237719 /nfs/dbraw/zinc/23/77/19/1349237719.db2.gz RVCAGJCTDYFNAB-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590260761 1349237725 /nfs/dbraw/zinc/23/77/25/1349237725.db2.gz RVCAGJCTDYFNAB-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260761 1349237733 /nfs/dbraw/zinc/23/77/33/1349237733.db2.gz RVCAGJCTDYFNAB-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590260761 1349237738 /nfs/dbraw/zinc/23/77/38/1349237738.db2.gz RVCAGJCTDYFNAB-VXGBXAGGSA-N 0 3 345.407 2.307 20 5 EEBDHN CC[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445493 1349327718 /nfs/dbraw/zinc/32/77/18/1349327718.db2.gz BRUILMRCPLSYTQ-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN CC[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445493 1349327723 /nfs/dbraw/zinc/32/77/23/1349327723.db2.gz BRUILMRCPLSYTQ-NSHDSACASA-N 0 3 331.380 2.061 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC001593478581 1349812265 /nfs/dbraw/zinc/81/22/65/1349812265.db2.gz WENHOTBNSBJJCC-GJZGRUSLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC001593478581 1349812271 /nfs/dbraw/zinc/81/22/71/1349812271.db2.gz WENHOTBNSBJJCC-GJZGRUSLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC001593478581 1349812275 /nfs/dbraw/zinc/81/22/75/1349812275.db2.gz WENHOTBNSBJJCC-GJZGRUSLSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC001593478581 1349812279 /nfs/dbraw/zinc/81/22/79/1349812279.db2.gz WENHOTBNSBJJCC-GJZGRUSLSA-N 0 3 343.391 2.204 20 5 EEBDHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262129 1350674610 /nfs/dbraw/zinc/67/46/10/1350674610.db2.gz AJGCDPHBLXVRSE-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262129 1350674612 /nfs/dbraw/zinc/67/46/12/1350674612.db2.gz AJGCDPHBLXVRSE-GFCCVEGCSA-N 0 3 333.396 2.163 20 5 EEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000839439568 1372902095 /nfs/dbraw/zinc/90/20/95/1372902095.db2.gz BEXAZXXZIRPKRO-JTQLQIEISA-N 0 3 327.331 2.428 20 5 EEBDHN CC(COC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000847714002 1373002584 /nfs/dbraw/zinc/00/25/84/1373002584.db2.gz HTNFZHKIDQCEPL-WQGACYEGSA-N 0 3 342.392 2.232 20 5 EEBDHN CC(=O)N1CCC(OCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001755343970 1407343274 /nfs/dbraw/zinc/34/32/74/1407343274.db2.gz KPNMAPKZZQBART-UHFFFAOYSA-N 0 3 341.433 2.164 20 5 EEBDHN Cc1cnc(CCCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001129099245 784026020 /nfs/dbraw/zinc/02/60/20/784026020.db2.gz QFSNJKIDDGUAJV-UHFFFAOYSA-N 0 3 346.387 2.120 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1C1CC1 ZINC001136071800 785098886 /nfs/dbraw/zinc/09/88/86/785098886.db2.gz NUDONOZFFOLIBL-UHFFFAOYSA-N 0 3 328.372 2.320 20 5 EEBDHN O=C1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173269 785447144 /nfs/dbraw/zinc/44/71/44/785447144.db2.gz LMWCUQAGIKIKHD-YOEHRIQHSA-N 0 3 347.415 2.151 20 5 EEBDHN CN1Cc2ccccc2[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190233 785455668 /nfs/dbraw/zinc/45/56/68/785455668.db2.gz IHTUWSGEBAEHDQ-ZWKOTPCHSA-N 0 3 327.384 2.405 20 5 EEBDHN Cc1c(NC(=O)CCN2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844454820 789112607 /nfs/dbraw/zinc/11/26/07/789112607.db2.gz MDSNNNSOYNCAAI-PHIMTYICSA-N 0 3 325.315 2.429 20 5 EEBDHN Cc1ncsc1CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146301795 791184026 /nfs/dbraw/zinc/18/40/26/791184026.db2.gz GGXZJMUXILUYRP-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN CC(C)c1ocnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146864509 791531780 /nfs/dbraw/zinc/53/17/80/791531780.db2.gz QWRKOMJGXDWSCR-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CC(C)C)C(N)=O)c1F ZINC001173181098 797279681 /nfs/dbraw/zinc/27/96/81/797279681.db2.gz ATNWDNPADAYWLX-CMPLNLGQSA-N 0 3 341.383 2.163 20 5 EEBDHN COCCN(CCOC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184362 797280108 /nfs/dbraw/zinc/28/01/08/797280108.db2.gz LYNZKMFNSYGRMN-LBPRGKRZSA-N 0 3 344.383 2.268 20 5 EEBDHN COCC(=O)N1CCC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040558950 799137489 /nfs/dbraw/zinc/13/74/89/799137489.db2.gz HDVMWCVAZIXNLC-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN CC(=O)NCCCCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001112640510 806911323 /nfs/dbraw/zinc/91/13/23/806911323.db2.gz VEWXBCLXPPNFLH-UHFFFAOYSA-N 0 3 348.447 2.332 20 5 EEBDHN CC(C)(C)OC(=O)NC[C@]1(F)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041016 803584048 /nfs/dbraw/zinc/58/40/48/803584048.db2.gz AJHXVUOQCKJHEE-WOSRLPQWSA-N 0 3 345.415 2.371 20 5 EEBDHN CC[C@]1(CO)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187521935 529424867 /nfs/dbraw/zinc/42/48/67/529424867.db2.gz MYXMZKJNMCJLAG-KRWDZBQOSA-N 0 3 338.404 2.467 20 5 EEBDHN CCc1ccc(C(=O)NC2CCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000174169766 529602032 /nfs/dbraw/zinc/60/20/32/529602032.db2.gz PBXUUGHRJMPBPA-UHFFFAOYSA-N 0 3 349.431 2.388 20 5 EEBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537789 234222261 /nfs/dbraw/zinc/22/22/61/234222261.db2.gz SZYVMTDEKOXTOE-BLLLJJGKSA-N 0 3 332.356 2.391 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000426888670 241352678 /nfs/dbraw/zinc/35/26/78/241352678.db2.gz IZEKJVCLQPNHLN-CHWSQXEVSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000426848742 241347636 /nfs/dbraw/zinc/34/76/36/241347636.db2.gz ABAYWEBSCAQLNH-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN COc1cccc(C(=O)NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000456681191 244325635 /nfs/dbraw/zinc/32/56/35/244325635.db2.gz GSQMDAZAMGNWSM-UHFFFAOYSA-N 0 3 333.388 2.350 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCn1cccn1 ZINC000111281183 220133817 /nfs/dbraw/zinc/13/38/17/220133817.db2.gz SBTIJKDLVCUVOW-UHFFFAOYSA-N 0 3 331.376 2.060 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108049 285144918 /nfs/dbraw/zinc/14/49/18/285144918.db2.gz VMODNAPMPOQPCL-DOTOQJQBSA-N 0 3 348.399 2.484 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268157626 256120198 /nfs/dbraw/zinc/12/01/98/256120198.db2.gz HIJWLIHKYCEQRO-TVQRCGJNSA-N 0 3 348.359 2.024 20 5 EEBDHN Cc1nc(NCc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000270715223 256163886 /nfs/dbraw/zinc/16/38/86/256163886.db2.gz MNFLXMZCMHVAPH-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EEBDHN CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1N(C)C ZINC000271122446 256210545 /nfs/dbraw/zinc/21/05/45/256210545.db2.gz LAIFHQNAIMXQSZ-KGLIPLIRSA-N 0 3 348.428 2.194 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000273027478 256258300 /nfs/dbraw/zinc/25/83/00/256258300.db2.gz FOVYWDGSKYPTSB-DLBZAZTESA-N 0 3 349.387 2.089 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274288489 256370862 /nfs/dbraw/zinc/37/08/62/256370862.db2.gz LTROAPDYHRNTBO-IUODEOHRSA-N 0 3 328.372 2.173 20 5 EEBDHN CCOc1cc(CN2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000276851599 256473582 /nfs/dbraw/zinc/47/35/82/256473582.db2.gz DSYIZWFOBQBWGE-HOCLYGCPSA-N 0 3 339.461 2.471 20 5 EEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000126305104 292309011 /nfs/dbraw/zinc/30/90/11/292309011.db2.gz ZXXHPXOIEPWWCK-ZDUSSCGKSA-N 0 3 337.424 2.021 20 5 EEBDHN CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCCC1 ZINC000076948201 159093872 /nfs/dbraw/zinc/09/38/72/159093872.db2.gz IJYCRGQYOWOKGC-UHFFFAOYSA-N 0 3 338.383 2.310 20 5 EEBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000109688849 159351131 /nfs/dbraw/zinc/35/11/31/159351131.db2.gz CNLGCCDZXGRNSB-NSHDSACASA-N 0 3 335.408 2.017 20 5 EEBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185594485 160041905 /nfs/dbraw/zinc/04/19/05/160041905.db2.gz TYVQHZNOWUIURI-NHYWBVRUSA-N 0 3 341.367 2.348 20 5 EEBDHN CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000342707300 161084729 /nfs/dbraw/zinc/08/47/29/161084729.db2.gz YMOWRJQUNDEOIL-ZJUUUORDSA-N 0 3 339.446 2.081 20 5 EEBDHN C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000344216909 161207907 /nfs/dbraw/zinc/20/79/07/161207907.db2.gz JAUVQSOCPKNYRF-CQSZACIVSA-N 0 3 334.420 2.387 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344353912 161219527 /nfs/dbraw/zinc/21/95/27/161219527.db2.gz DSGDDIVUPYDZFO-IRXDYDNUSA-N 0 3 333.388 2.389 20 5 EEBDHN CCN(CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000344769259 161244411 /nfs/dbraw/zinc/24/44/11/161244411.db2.gz USSPTHOFUYKXJX-UHFFFAOYSA-N 0 3 334.420 2.263 20 5 EEBDHN C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000345327102 161292155 /nfs/dbraw/zinc/29/21/55/161292155.db2.gz SUKJSKWEYCJFRY-BBRMVZONSA-N 0 3 334.420 2.386 20 5 EEBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346551784 161381325 /nfs/dbraw/zinc/38/13/25/161381325.db2.gz CMOLBWYAGRIFAU-UHFFFAOYSA-N 0 3 343.387 2.307 20 5 EEBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499010 161804724 /nfs/dbraw/zinc/80/47/24/161804724.db2.gz CDFKOOFNGWNJJW-ZFWWWQNUSA-N 0 3 341.795 2.327 20 5 EEBDHN CN1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000352089994 162064881 /nfs/dbraw/zinc/06/48/81/162064881.db2.gz TXVIHPVDVWKJPC-SMDDNHRTSA-N 0 3 329.360 2.175 20 5 EEBDHN CN(C(=O)CNC1(C2CC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375699948 167178136 /nfs/dbraw/zinc/17/81/36/167178136.db2.gz CKDTUPLJHMFZIO-UHFFFAOYSA-N 0 3 333.388 2.106 20 5 EEBDHN CC[C@H](CO)NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272647826 269004080 /nfs/dbraw/zinc/00/40/80/269004080.db2.gz PGHPTVFKGRBFGZ-SNVBAGLBSA-N 0 3 334.319 2.108 20 5 EEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1N1CCCC1 ZINC000275417501 269114894 /nfs/dbraw/zinc/11/48/94/269114894.db2.gz HBPNFDULVSCKKL-QWHCGFSZSA-N 0 3 340.424 2.332 20 5 EEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280656281 269382832 /nfs/dbraw/zinc/38/28/32/269382832.db2.gz ZODRLKYIBKMQCB-IAGOWNOFSA-N 0 3 343.383 2.177 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188731100 274032716 /nfs/dbraw/zinc/03/27/16/274032716.db2.gz BDOKVVGFGWFVJV-GFCCVEGCSA-N 0 3 335.404 2.374 20 5 EEBDHN CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271787479 274152202 /nfs/dbraw/zinc/15/22/02/274152202.db2.gz KXKJEYMNKUBFFM-NWDGAFQWSA-N 0 3 343.836 2.366 20 5 EEBDHN COc1cc(CNC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289419592 275114883 /nfs/dbraw/zinc/11/48/83/275114883.db2.gz IWWHTNLPYQHUOI-LBPRGKRZSA-N 0 3 346.330 2.108 20 5 EEBDHN CN(C)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352693699 276791903 /nfs/dbraw/zinc/79/19/03/276791903.db2.gz LZDQYTBVCINYRT-UHFFFAOYSA-N 0 3 325.384 2.277 20 5 EEBDHN Cc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364602278 278923217 /nfs/dbraw/zinc/92/32/17/278923217.db2.gz AQOBIIQVGNWCDR-HOTGVXAUSA-N 0 3 332.448 2.365 20 5 EEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702450 279322411 /nfs/dbraw/zinc/32/24/11/279322411.db2.gz GOQYSHNTQBNZIW-JHJVBQTASA-N 0 3 334.420 2.273 20 5 EEBDHN CCN1CCN([C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507406 279372891 /nfs/dbraw/zinc/37/28/91/279372891.db2.gz CKADCKUYZGBBDX-HOTGVXAUSA-N 0 3 332.448 2.368 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374314785 280661601 /nfs/dbraw/zinc/66/16/01/280661601.db2.gz XJAWXRMQTZDAOR-MAUKXSAKSA-N 0 3 332.448 2.365 20 5 EEBDHN CN(C)CC(C)(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457220466 282061947 /nfs/dbraw/zinc/06/19/47/282061947.db2.gz LQOXINVXHSVCOD-UHFFFAOYSA-N 0 3 334.420 2.265 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294011648 293349770 /nfs/dbraw/zinc/34/97/70/293349770.db2.gz IRKPSWANZHVKQV-VMPITWQZSA-N 0 3 329.360 2.005 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294084445 293366247 /nfs/dbraw/zinc/36/62/47/293366247.db2.gz JUQTZRWYNFCCQX-SFHVURJKSA-N 0 3 331.416 2.472 20 5 EEBDHN COc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294122056 293375162 /nfs/dbraw/zinc/37/51/62/293375162.db2.gz LUGPAHPMYOGRNR-QGZVFWFLSA-N 0 3 333.388 2.161 20 5 EEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C3CCC3)CC2)n1 ZINC000295939144 293853055 /nfs/dbraw/zinc/85/30/55/293853055.db2.gz HUSYQNWXIAMFDS-UHFFFAOYSA-N 0 3 334.376 2.205 20 5 EEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420472312 303457844 /nfs/dbraw/zinc/45/78/44/303457844.db2.gz SIDBJDDGTTYIIQ-MWLCHTKSSA-N 0 3 347.824 2.044 20 5 EEBDHN COc1ccc(CN2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000330678198 311776135 /nfs/dbraw/zinc/77/61/35/311776135.db2.gz WCZSHQGYWBFTSH-UKRRQHHQSA-N 0 3 325.434 2.081 20 5 EEBDHN C[C@H]1CC(O)C[C@H](C)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009823 311935887 /nfs/dbraw/zinc/93/58/87/311935887.db2.gz DFBCKKFJHLKRBR-RYUDHWBXSA-N 0 3 349.387 2.127 20 5 EEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)cc1OC ZINC000411094012 312503203 /nfs/dbraw/zinc/50/32/03/312503203.db2.gz FDXZZMGJTXNVSP-UHFFFAOYSA-N 0 3 339.392 2.072 20 5 EEBDHN COC(=O)[C@@H]1CN(C)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414485344 313033535 /nfs/dbraw/zinc/03/35/35/313033535.db2.gz HXYGEDGFDMQFLE-SCZPIIQISA-N 0 3 347.415 2.035 20 5 EEBDHN N[C@H](CC1CCCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520564896 316867468 /nfs/dbraw/zinc/86/74/68/316867468.db2.gz JIYYGZDGONDKSB-MRXNPFEDSA-N 0 3 335.404 2.388 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CS(C)(=O)=O)CC1 ZINC000538016949 318031780 /nfs/dbraw/zinc/03/17/80/318031780.db2.gz OICLQHNVKUPYEF-LBPRGKRZSA-N 0 3 326.418 2.379 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2ccccc2CC1 ZINC000544147311 318181307 /nfs/dbraw/zinc/18/13/07/318181307.db2.gz STZQJDARDVMSQF-QGZVFWFLSA-N 0 3 342.395 2.435 20 5 EEBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116061 319247200 /nfs/dbraw/zinc/24/72/00/319247200.db2.gz HLHBATUOHUNDAR-HOCLYGCPSA-N 0 3 346.383 2.392 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000567161619 319353851 /nfs/dbraw/zinc/35/38/51/319353851.db2.gz GGFPZKPSSZMEOO-GXSJLCMTSA-N 0 3 342.808 2.144 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000567331541 319369573 /nfs/dbraw/zinc/36/95/73/319369573.db2.gz IQRSZAZLBYGFRR-NHYWBVRUSA-N 0 3 336.779 2.083 20 5 EEBDHN COc1ccc(CC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000577189765 320240116 /nfs/dbraw/zinc/24/01/16/320240116.db2.gz VGLNDRBIKHSJCM-CYBMUJFWSA-N 0 3 347.415 2.089 20 5 EEBDHN COC(=O)c1cc(-c2ccc(NCCN(C)C)nc2)cc([N+](=O)[O-])c1 ZINC000600789750 449546649 /nfs/dbraw/zinc/54/66/49/449546649.db2.gz VNCNFRMJZUKZFP-UHFFFAOYSA-N 0 3 344.371 2.417 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3ccccc3CO)CC2)n1 ZINC000347628359 465132620 /nfs/dbraw/zinc/13/26/20/465132620.db2.gz ITYKJCIBCOMHAH-UHFFFAOYSA-N 0 3 344.415 2.238 20 5 EEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354757025 465135129 /nfs/dbraw/zinc/13/51/29/465135129.db2.gz OVZDESBPDZVPED-OAHLLOKOSA-N 0 3 345.403 2.204 20 5 EEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000590688534 468306657 /nfs/dbraw/zinc/30/66/57/468306657.db2.gz IZTIRSTUDIECCE-IRXDYDNUSA-N 0 3 342.399 2.178 20 5 EEBDHN COc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153158750 462620759 /nfs/dbraw/zinc/62/07/59/462620759.db2.gz LSIQBPBBZIYZML-OAHLLOKOSA-N 0 3 346.383 2.475 20 5 EEBDHN COC1CCN(CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000590692683 468308236 /nfs/dbraw/zinc/30/82/36/468308236.db2.gz HLMJQYFODJNHLB-UHFFFAOYSA-N 0 3 330.388 2.666 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000154581457 462785203 /nfs/dbraw/zinc/78/52/03/462785203.db2.gz YIAZMNIKWSFBCR-UHFFFAOYSA-N 0 3 347.415 2.451 20 5 EEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1(=O)=O ZINC000090466246 462792604 /nfs/dbraw/zinc/79/26/04/462792604.db2.gz IJYWVADMYUXBKE-OCCSQVGLSA-N 0 3 326.418 2.083 20 5 EEBDHN CCO[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000076405711 462857059 /nfs/dbraw/zinc/85/70/59/462857059.db2.gz QGVCJGVJMVYGAP-CQSZACIVSA-N 0 3 349.387 2.394 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000077236651 462957571 /nfs/dbraw/zinc/95/75/71/462957571.db2.gz UHHBBAODMZDBRX-CYBMUJFWSA-N 0 3 342.403 2.068 20 5 EEBDHN Cc1cc(NC[C@H](C)N2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988679 463130048 /nfs/dbraw/zinc/13/00/48/463130048.db2.gz FURJAZRNZGJISY-AWEZNQCLSA-N 0 3 343.431 2.499 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000079776268 463249422 /nfs/dbraw/zinc/24/94/22/463249422.db2.gz OERHWGJYRXHNPX-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CCOc1cc(CN2CC[C@@H](COCCOC)C2)ccc1[N+](=O)[O-] ZINC000276950864 463817180 /nfs/dbraw/zinc/81/71/80/463817180.db2.gz UKHXWTHQKJPHQB-OAHLLOKOSA-N 0 3 338.404 2.478 20 5 EEBDHN CCCN(CCN1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287309682 463865560 /nfs/dbraw/zinc/86/55/60/463865560.db2.gz LSDBTRMRAMMGDP-UHFFFAOYSA-N 0 3 345.403 2.419 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000283571284 463929334 /nfs/dbraw/zinc/92/93/34/463929334.db2.gz VQCGOTRDOXJEPA-LBPRGKRZSA-N 0 3 333.388 2.208 20 5 EEBDHN CN1CCN(C)[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957825 464016203 /nfs/dbraw/zinc/01/62/03/464016203.db2.gz BBSIMBKZIXSFIV-RHSMWYFYSA-N 0 3 332.448 2.153 20 5 EEBDHN CCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000172439181 464080124 /nfs/dbraw/zinc/08/01/24/464080124.db2.gz MKTVPOICRAJZGV-UHFFFAOYSA-N 0 3 347.375 2.073 20 5 EEBDHN CN(C)C1(CN(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000188068056 464191153 /nfs/dbraw/zinc/19/11/53/464191153.db2.gz VYLWIAADLUYEMP-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1c([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987418 464219432 /nfs/dbraw/zinc/21/94/32/464219432.db2.gz AHCUQGVQPKVTEO-UONOGXRCSA-N 0 3 336.388 2.476 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000173336330 464242123 /nfs/dbraw/zinc/24/21/23/464242123.db2.gz XAKCGKBDEOIATN-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN NC[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237838362 464387626 /nfs/dbraw/zinc/38/76/26/464387626.db2.gz FCBTVEYTTOYGAT-HNNXBMFYSA-N 0 3 349.434 2.495 20 5 EEBDHN CCOC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272138110 464493693 /nfs/dbraw/zinc/49/36/93/464493693.db2.gz ASKSJZQOHGQPCN-MLGOLLRUSA-N 0 3 333.388 2.302 20 5 EEBDHN CC[C@H](C)N(C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294522736 464525316 /nfs/dbraw/zinc/52/53/16/464525316.db2.gz IFWWPCBMZVOWTF-ZDUSSCGKSA-N 0 3 335.404 2.404 20 5 EEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](N2CCCCC2)C1 ZINC000272396052 464591275 /nfs/dbraw/zinc/59/12/75/464591275.db2.gz JRPWWZDQEWGFBX-CYBMUJFWSA-N 0 3 347.371 2.024 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000272504209 464636232 /nfs/dbraw/zinc/63/62/32/464636232.db2.gz ODXFQBZELXOFTM-GUYCJALGSA-N 0 3 342.399 2.102 20 5 EEBDHN Cc1nc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000294964697 464664521 /nfs/dbraw/zinc/66/45/21/464664521.db2.gz LHPYIASRXRPABZ-HNNXBMFYSA-N 0 3 342.403 2.047 20 5 EEBDHN CC(C)CO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247540561 464693191 /nfs/dbraw/zinc/69/31/91/464693191.db2.gz JYSRCWFBDYTIGE-WBVHZDCISA-N 0 3 338.404 2.081 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(O)CCSC2)c1 ZINC000176760196 464842931 /nfs/dbraw/zinc/84/29/31/464842931.db2.gz OYYDPIOJQODUQJ-ZDUSSCGKSA-N 0 3 334.344 2.154 20 5 EEBDHN C[C@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900512 464864886 /nfs/dbraw/zinc/86/48/86/464864886.db2.gz UBFNXMLQVGSEHZ-WMLDXEAASA-N 0 3 348.447 2.188 20 5 EEBDHN O=C(c1cc(NCCN2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298790494 465505947 /nfs/dbraw/zinc/50/59/47/465505947.db2.gz SCFQNBWALMZFCF-UHFFFAOYSA-N 0 3 332.404 2.339 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000298861639 465527136 /nfs/dbraw/zinc/52/71/36/465527136.db2.gz CYYKURKFUIAXNA-GFCCVEGCSA-N 0 3 328.372 2.100 20 5 EEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000298861639 465527142 /nfs/dbraw/zinc/52/71/42/465527142.db2.gz CYYKURKFUIAXNA-GFCCVEGCSA-N 0 3 328.372 2.100 20 5 EEBDHN COc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000298873454 465529903 /nfs/dbraw/zinc/52/99/03/465529903.db2.gz OUJDODWPBYCOLL-UHFFFAOYSA-N 0 3 348.403 2.029 20 5 EEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000344592809 465704053 /nfs/dbraw/zinc/70/40/53/465704053.db2.gz BUGUJCVSILOQEW-AWEZNQCLSA-N 0 3 345.403 2.321 20 5 EEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000361073760 465747145 /nfs/dbraw/zinc/74/71/45/465747145.db2.gz MNUKKCNNWCVAGJ-BETUJISGSA-N 0 3 339.440 2.421 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299457727 465756581 /nfs/dbraw/zinc/75/65/81/465756581.db2.gz XAOJCCHNTRSUNI-CYBMUJFWSA-N 0 3 337.424 2.113 20 5 EEBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000330706740 465771131 /nfs/dbraw/zinc/77/11/31/465771131.db2.gz LZHSFYIPEAVQST-TZMCWYRMSA-N 0 3 325.384 2.011 20 5 EEBDHN CNc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209596 465838617 /nfs/dbraw/zinc/83/86/17/465838617.db2.gz HAMHPPVGVWRELP-ZDUSSCGKSA-N 0 3 332.404 2.337 20 5 EEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000346202938 465988044 /nfs/dbraw/zinc/98/80/44/465988044.db2.gz AUBACIYYBDMKTN-AWEZNQCLSA-N 0 3 344.419 2.536 20 5 EEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346229314 466010394 /nfs/dbraw/zinc/01/03/94/466010394.db2.gz LUSUMMVUSKATDC-BFQNTYOBSA-N 0 3 332.404 2.101 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332056375 466365486 /nfs/dbraw/zinc/36/54/86/466365486.db2.gz OSKJFJSMLWMXSI-XJKSGUPXSA-N 0 3 332.404 2.139 20 5 EEBDHN CCCN(CCN1CCN(CC)CC1)c1nc(C)ccc1[N+](=O)[O-] ZINC000341028582 466524843 /nfs/dbraw/zinc/52/48/43/466524843.db2.gz DEMAOHIKBRQGBN-UHFFFAOYSA-N 0 3 335.452 2.152 20 5 EEBDHN COc1cc(C(=O)Nc2cnc3c(c2)CNCC3)cc([N+](=O)[O-])c1C ZINC000591681312 468501977 /nfs/dbraw/zinc/50/19/77/468501977.db2.gz DYGVUWMWOOQXOB-UHFFFAOYSA-N 0 3 342.355 2.205 20 5 EEBDHN CS(=O)(=O)c1cccc(N[C@H]2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000322579908 466633517 /nfs/dbraw/zinc/63/35/17/466633517.db2.gz RPPBVTNWXBQQRV-NWDGAFQWSA-N 0 3 339.417 2.037 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1C ZINC000413124910 467174281 /nfs/dbraw/zinc/17/42/81/467174281.db2.gz DTRPMUFVYKJCBR-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451080276 467241623 /nfs/dbraw/zinc/24/16/23/467241623.db2.gz BNFNLKVTDGKDKQ-ZIAGYGMSSA-N 0 3 346.431 2.338 20 5 EEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000486984505 468016810 /nfs/dbraw/zinc/01/68/10/468016810.db2.gz YDZJFACYQWCUIR-AWEZNQCLSA-N 0 3 336.436 2.179 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(F)cc(F)c1 ZINC000516598165 468036014 /nfs/dbraw/zinc/03/60/14/468036014.db2.gz NUXSLRBCSHVGTK-CQSZACIVSA-N 0 3 338.310 2.403 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195753 468508702 /nfs/dbraw/zinc/50/87/02/468508702.db2.gz IUXGGXUNJMDRLG-GJZGRUSLSA-N 0 3 333.388 2.350 20 5 EEBDHN COc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197801 468509533 /nfs/dbraw/zinc/50/95/33/468509533.db2.gz PWEYRUIJNZYPHL-GJZGRUSLSA-N 0 3 347.415 2.279 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2Cc3ccccc32)cc1 ZINC000591729076 468512365 /nfs/dbraw/zinc/51/23/65/468512365.db2.gz HHGOISQCSULCQH-CQSZACIVSA-N 0 3 346.408 2.298 20 5 EEBDHN N[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000582720156 468583617 /nfs/dbraw/zinc/58/36/17/468583617.db2.gz HSDSDKLRTJWKMH-KRWDZBQOSA-N 0 3 339.395 2.440 20 5 EEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000557060509 468610163 /nfs/dbraw/zinc/61/01/63/468610163.db2.gz RHTXYJQDMSCBRY-CQSZACIVSA-N 0 3 332.356 2.133 20 5 EEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCNC2(CCCCC2)C1 ZINC000594628905 468639342 /nfs/dbraw/zinc/63/93/42/468639342.db2.gz OFBFPQNGGNLIPC-UHFFFAOYSA-N 0 3 332.404 2.141 20 5 EEBDHN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000592339277 468678640 /nfs/dbraw/zinc/67/86/40/468678640.db2.gz NBBUKWHGDUVKMX-UHFFFAOYSA-N 0 3 349.387 2.318 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCCS(C)(=O)=O ZINC000595034225 468747200 /nfs/dbraw/zinc/74/72/00/468747200.db2.gz WEASQGFUAJYRFS-GFCCVEGCSA-N 0 3 344.433 2.469 20 5 EEBDHN COC1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601126592 468753514 /nfs/dbraw/zinc/75/35/14/468753514.db2.gz VFEPXPFXEMVSLE-UHFFFAOYSA-N 0 3 330.388 2.088 20 5 EEBDHN Cc1ccc(OCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000560279402 468777083 /nfs/dbraw/zinc/77/70/83/468777083.db2.gz HZHCXAMMXWKNPT-OAHLLOKOSA-N 0 3 346.383 2.312 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000583992242 468782856 /nfs/dbraw/zinc/78/28/56/468782856.db2.gz ZLOZOLWKTFYPRB-JKSUJKDBSA-N 0 3 343.383 2.219 20 5 EEBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598195644 468792291 /nfs/dbraw/zinc/79/22/91/468792291.db2.gz QGEJROBKMOHBKC-OAHLLOKOSA-N 0 3 342.399 2.312 20 5 EEBDHN COc1ccc(OCCN2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695851 468958302 /nfs/dbraw/zinc/95/83/02/468958302.db2.gz IHMHTMINKWPRLJ-HIFRSBDPSA-N 0 3 338.404 2.465 20 5 EEBDHN CCN1C[C@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593498607 469006098 /nfs/dbraw/zinc/00/60/98/469006098.db2.gz FPTUPTILMQNFEK-LBPRGKRZSA-N 0 3 328.372 2.154 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000602834142 469107163 /nfs/dbraw/zinc/10/71/63/469107163.db2.gz QXWINWXJGRBZNI-MRXNPFEDSA-N 0 3 341.415 2.237 20 5 EEBDHN CC(C)CN(CCN(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589192560 469210919 /nfs/dbraw/zinc/21/09/19/469210919.db2.gz JVGLYOPHENGELV-UHFFFAOYSA-N 0 3 337.420 2.386 20 5 EEBDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939751 469348683 /nfs/dbraw/zinc/34/86/83/469348683.db2.gz NORAGUHWHUCOKT-UKRRQHHQSA-N 0 3 331.372 2.389 20 5 EEBDHN C[C@H](C(=O)N1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690152 469760226 /nfs/dbraw/zinc/76/02/26/469760226.db2.gz WYYCPDKBUPCZAW-AWEZNQCLSA-N 0 3 340.383 2.442 20 5 EEBDHN Cc1nccn1C[C@@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609222795 469903477 /nfs/dbraw/zinc/90/34/77/469903477.db2.gz HPIPBBVUKXIKEI-LBPRGKRZSA-N 0 3 346.387 2.297 20 5 EEBDHN CCO[C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000602538399 485640892 /nfs/dbraw/zinc/64/08/92/485640892.db2.gz FKVNSGWRYQDYIT-BRWVUGGUSA-N 0 3 336.388 2.290 20 5 EEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173993800 528259743 /nfs/dbraw/zinc/25/97/43/528259743.db2.gz IFYRSPOPNHHLKR-CQSZACIVSA-N 0 3 341.433 2.008 20 5 EEBDHN CC[C@](C)(O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000189736802 529373025 /nfs/dbraw/zinc/37/30/25/529373025.db2.gz APVXEUFRQAPFEG-KRWDZBQOSA-N 0 3 332.404 2.455 20 5 EEBDHN CC(=O)Nc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678020 577116087 /nfs/dbraw/zinc/11/60/87/577116087.db2.gz FENCNFXNSOUKCE-QGZVFWFLSA-N 0 3 329.356 2.376 20 5 EEBDHN Cc1cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000733159394 577206689 /nfs/dbraw/zinc/20/66/89/577206689.db2.gz PXDFNFFIMSRGDV-MRXNPFEDSA-N 0 3 347.415 2.276 20 5 EEBDHN CC(C)N(C)C(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578023 577462952 /nfs/dbraw/zinc/46/29/52/577462952.db2.gz AARXYBNAPHQMRB-QGZVFWFLSA-N 0 3 349.431 2.207 20 5 EEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2c1cnn2C ZINC000776591685 577463595 /nfs/dbraw/zinc/46/35/95/577463595.db2.gz UGLJOGORCSHARQ-NVXWUHKLSA-N 0 3 330.388 2.371 20 5 EEBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169954 577821096 /nfs/dbraw/zinc/82/10/96/577821096.db2.gz PBUPZDPZXDXZJP-YMTOWFKASA-N 0 3 327.768 2.344 20 5 EEBDHN COc1cc(CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000741257061 578115710 /nfs/dbraw/zinc/11/57/10/578115710.db2.gz BSXSZFQIXPFLIR-NSHDSACASA-N 0 3 346.330 2.455 20 5 EEBDHN C[C@@H](CN1CCOCC1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000892580393 681848861 /nfs/dbraw/zinc/84/88/61/681848861.db2.gz HQEUQZDPVHPEKT-NSHDSACASA-N 0 3 347.337 2.424 20 5 EEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233480 683504933 /nfs/dbraw/zinc/50/49/33/683504933.db2.gz VMJSPZLNSWXMGS-WCBMZHEXSA-N 0 3 342.783 2.483 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccnc(F)c1 ZINC001020019659 683530088 /nfs/dbraw/zinc/53/00/88/683530088.db2.gz QRUQJDNPWIDGDO-HDJSIYSDSA-N 0 3 344.346 2.180 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nccc(C)n2)CC1 ZINC000878429744 1200462026 /nfs/dbraw/zinc/46/20/26/1200462026.db2.gz NVLDIHFRQHQBLH-UHFFFAOYSA-N 0 3 330.392 2.078 20 5 EEBDHN CC(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[N+](=O)[O-] ZINC000813106889 1201116172 /nfs/dbraw/zinc/11/61/72/1201116172.db2.gz HHJQXUQBZLPWEX-GFCCVEGCSA-N 0 3 335.360 2.139 20 5 EEBDHN CC(COC(=O)c1cc(N2CCCC2=O)ccc1Cl)[N+](=O)[O-] ZINC000813110769 1201122146 /nfs/dbraw/zinc/12/21/46/1201122146.db2.gz IXXMZTHAUINFOR-VIFPVBQESA-N 0 3 326.736 2.289 20 5 EEBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000826560138 1204254676 /nfs/dbraw/zinc/25/46/76/1204254676.db2.gz MILBTDAMVXBJAC-UHFFFAOYSA-N 0 3 343.811 2.207 20 5 EEBDHN CCCN(C)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095423892 1205734602 /nfs/dbraw/zinc/73/46/02/1205734602.db2.gz URIZURIMATYJDD-UHFFFAOYSA-N 0 3 348.447 2.330 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932034402 1207518573 /nfs/dbraw/zinc/51/85/73/1207518573.db2.gz LWMVGUMSEITALI-UHFFFAOYSA-N 0 3 346.790 2.383 20 5 EEBDHN O=C(OCCOc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000801872230 1236330721 /nfs/dbraw/zinc/33/07/21/1236330721.db2.gz MUIMOLKNUYWVOR-UHFFFAOYSA-N 0 3 334.372 2.391 20 5 EEBDHN CN(CC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001057251719 1242761858 /nfs/dbraw/zinc/76/18/58/1242761858.db2.gz UCOXBGLNYRXYSG-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN CCN(CC)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101350684 1245700176 /nfs/dbraw/zinc/70/01/76/1245700176.db2.gz YOBUJNQHSQHKHU-UHFFFAOYSA-N 0 3 334.420 2.022 20 5 EEBDHN COc1cc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853353943 1292360604 /nfs/dbraw/zinc/36/06/04/1292360604.db2.gz QALWVXYQPCTUCP-UHFFFAOYSA-N 0 3 349.431 2.460 20 5 EEBDHN COC(=O)Cc1ccc(OC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001226214468 1301303644 /nfs/dbraw/zinc/30/36/44/1301303644.db2.gz MUMCBLPAEYDLDY-UHFFFAOYSA-N 0 3 334.372 2.316 20 5 EEBDHN CC(C)N1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363739 1302746904 /nfs/dbraw/zinc/74/69/04/1302746904.db2.gz FRSSFGDFJAYFLZ-GFCCVEGCSA-N 0 3 332.360 2.495 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3ccccn3)C2)c1 ZINC000799195848 1305182885 /nfs/dbraw/zinc/18/28/85/1305182885.db2.gz LZMOHKOOVJAHMK-HOCLYGCPSA-N 0 3 343.383 2.219 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC001119343683 1309053488 /nfs/dbraw/zinc/05/34/88/1309053488.db2.gz LHVPOFWFCIPTLV-DOTOQJQBSA-N 0 3 342.399 2.178 20 5 EEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000839635737 1315223747 /nfs/dbraw/zinc/22/37/47/1315223747.db2.gz JSPQXIOIKUHHMX-FGTMMUONSA-N 0 3 328.368 2.436 20 5 EEBDHN Cc1ccccc1OCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149703495 1316020747 /nfs/dbraw/zinc/02/07/47/1316020747.db2.gz PNYRGFIYDDRVCK-UHFFFAOYSA-N 0 3 343.383 2.188 20 5 EEBDHN O=C(CCCn1cccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001152026190 1316622852 /nfs/dbraw/zinc/62/28/52/1316622852.db2.gz GDOBTUHGCBZDAO-UHFFFAOYSA-N 0 3 330.388 2.083 20 5 EEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cnccn2)C1 ZINC001254570121 1318124219 /nfs/dbraw/zinc/12/42/19/1318124219.db2.gz MYINMTSYFYFDSW-ZFWWWQNUSA-N 0 3 328.372 2.469 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cc(OC3COC3)ccn1)C2 ZINC001254573502 1318126579 /nfs/dbraw/zinc/12/65/79/1318126579.db2.gz ARLPIHWHBYGQIQ-AWEZNQCLSA-N 0 3 341.367 2.024 20 5 EEBDHN O=C1NCCC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254609823 1318143969 /nfs/dbraw/zinc/14/39/69/1318143969.db2.gz YXFMKHCLAWWYIK-OAHLLOKOSA-N 0 3 331.372 2.027 20 5 EEBDHN Cc1nscc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156823261 1318227360 /nfs/dbraw/zinc/22/73/60/1318227360.db2.gz WIPNLZTVVVXKDB-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN Cc1ccc(-c2ccc(N[C@H](C)[C@H]3CNCCO3)nn2)cc1[N+](=O)[O-] ZINC001159498362 1319839281 /nfs/dbraw/zinc/83/92/81/1319839281.db2.gz LBUFNZVWZFRDAA-MLGOLLRUSA-N 0 3 343.387 2.149 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001166899568 1321812560 /nfs/dbraw/zinc/81/25/60/1321812560.db2.gz CCLCJUVNGVFDEU-QGZVFWFLSA-N 0 3 328.372 2.477 20 5 EEBDHN Cc1c(NC(=O)CCN2CCc3ncncc3C2)cccc1[N+](=O)[O-] ZINC001308029982 1331560243 /nfs/dbraw/zinc/56/02/43/1331560243.db2.gz SFCHUMQJPYCQEE-UHFFFAOYSA-N 0 3 341.371 2.080 20 5 EEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC001318433216 1332533664 /nfs/dbraw/zinc/53/36/64/1332533664.db2.gz GIOGJVDBRNXBKS-KBPBESRZSA-N 0 3 341.433 2.054 20 5 EEBDHN Cc1cc(NCC23CCC[NH+]2CCC3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409865 1351965228 /nfs/dbraw/zinc/96/52/28/1351965228.db2.gz ZWDGQWZSUIZYBK-UHFFFAOYSA-N 0 3 343.391 2.124 20 5 EEBDHN Cc1cc(NCC23CCC[NH+]2CCC3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409865 1351965230 /nfs/dbraw/zinc/96/52/30/1351965230.db2.gz ZWDGQWZSUIZYBK-UHFFFAOYSA-N 0 3 343.391 2.124 20 5 EEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CCN1CC(C)(C)O ZINC001331599527 1335043815 /nfs/dbraw/zinc/04/38/15/1335043815.db2.gz DZXFRQCDFJDUFM-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN O=[N+]([O-])c1cnc(N2CCCN3CCC[C@@H]3C2)c(Br)c1 ZINC001340208422 1337137642 /nfs/dbraw/zinc/13/76/42/1337137642.db2.gz BVEOSHFEUOWWGG-SNVBAGLBSA-N 0 3 341.209 2.427 20 5 EEBDHN CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590376871 1349291278 /nfs/dbraw/zinc/29/12/78/1349291278.db2.gz BCDXISWIDVZNTO-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590376871 1349291283 /nfs/dbraw/zinc/29/12/83/1349291283.db2.gz BCDXISWIDVZNTO-UHFFFAOYSA-N 0 3 345.407 2.086 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001593466711 1349804065 /nfs/dbraw/zinc/80/40/65/1349804065.db2.gz FGDISJAQWYQZFX-ZDUSSCGKSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC001593466711 1349804074 /nfs/dbraw/zinc/80/40/74/1349804074.db2.gz FGDISJAQWYQZFX-ZDUSSCGKSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001593466711 1349804077 /nfs/dbraw/zinc/80/40/77/1349804077.db2.gz FGDISJAQWYQZFX-ZDUSSCGKSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC001593466711 1349804083 /nfs/dbraw/zinc/80/40/83/1349804083.db2.gz FGDISJAQWYQZFX-ZDUSSCGKSA-N 0 3 340.343 2.357 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479933 1349813054 /nfs/dbraw/zinc/81/30/54/1349813054.db2.gz CLDSYFPTJZEQNT-OLZOCXBDSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001593479933 1349813056 /nfs/dbraw/zinc/81/30/56/1349813056.db2.gz CLDSYFPTJZEQNT-OLZOCXBDSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479933 1349813060 /nfs/dbraw/zinc/81/30/60/1349813060.db2.gz CLDSYFPTJZEQNT-OLZOCXBDSA-N 0 3 343.391 2.204 20 5 EEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001593479933 1349813062 /nfs/dbraw/zinc/81/30/62/1349813062.db2.gz CLDSYFPTJZEQNT-OLZOCXBDSA-N 0 3 343.391 2.204 20 5 EEBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000425618780 1367107127 /nfs/dbraw/zinc/10/71/27/1367107127.db2.gz GEWCRXKXRMIDKB-AWEZNQCLSA-N 0 3 342.399 2.457 20 5 EEBDHN CCN(CCNC(=O)CN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001100728927 1410703589 /nfs/dbraw/zinc/70/35/89/1410703589.db2.gz AQHHMFMRPGBENL-UHFFFAOYSA-N 0 3 348.447 2.269 20 5 EEBDHN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001106979763 782762013 /nfs/dbraw/zinc/76/20/13/782762013.db2.gz XIQFAYJJXFSSBS-UHFFFAOYSA-N 0 3 334.420 2.340 20 5 EEBDHN Cc1ccnc(NCCCN(C)C(=O)C2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC001109547682 805649802 /nfs/dbraw/zinc/64/98/02/805649802.db2.gz NXFHKIUXDPNVMB-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN COc1cc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000820628832 785995852 /nfs/dbraw/zinc/99/58/52/785995852.db2.gz CNVBQRYOVLXCOM-UHFFFAOYSA-N 0 3 349.431 2.460 20 5 EEBDHN Cc1n[nH]cc1C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996860411 787868918 /nfs/dbraw/zinc/86/89/18/787868918.db2.gz RZQJAESUNJOFET-UHFFFAOYSA-N 0 3 349.416 2.082 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000923276223 789277274 /nfs/dbraw/zinc/27/72/74/789277274.db2.gz OWQOSEZSRZURIG-QWHCGFSZSA-N 0 3 340.383 2.452 20 5 EEBDHN O=C(Cc1ccc[nH]1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997342646 789644128 /nfs/dbraw/zinc/64/41/28/789644128.db2.gz LPTRNKUGBVNNRG-UHFFFAOYSA-N 0 3 348.428 2.308 20 5 EEBDHN CC([C@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880340 789973242 /nfs/dbraw/zinc/97/32/42/789973242.db2.gz ZUFQOMZCAIQDEK-BONVTDFDSA-N 0 3 334.303 2.088 20 5 EEBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cnccn3)CC2)c(F)c1 ZINC001173011581 797196100 /nfs/dbraw/zinc/19/61/00/797196100.db2.gz GNLFQGTZOYSUJY-UHFFFAOYSA-N 0 3 349.341 2.422 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](C)C[C@H]2CO)c1F ZINC001173182005 797279497 /nfs/dbraw/zinc/27/94/97/797279497.db2.gz REZZROVGUKMIJW-TUAOUCFPSA-N 0 3 326.368 2.376 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)C[C@H]2CO)c1F ZINC001173182004 797279553 /nfs/dbraw/zinc/27/95/53/797279553.db2.gz REZZROVGUKMIJW-SRVKXCTJSA-N 0 3 326.368 2.376 20 5 EEBDHN COCCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001174645196 797817071 /nfs/dbraw/zinc/81/70/71/797817071.db2.gz LIDRPBBLPXAPOR-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN Cn1ccc(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086060356 802044206 /nfs/dbraw/zinc/04/42/06/802044206.db2.gz ORJMNMFYCBXZCV-AKAXFMLLSA-N 0 3 342.399 2.232 20 5 EEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791198162 809095567 /nfs/dbraw/zinc/09/55/67/809095567.db2.gz ZHFQULGIZSLGMU-LLVKDONJSA-N 0 3 338.383 2.014 20 5 EEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826947 1119514083 /nfs/dbraw/zinc/51/40/83/1119514083.db2.gz NSTGUUVFNLKIIV-GARJFASQSA-N 0 3 325.796 2.388 20 5 EEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC(CN2CCOCC2)CC1 ZINC000051959967 214109975 /nfs/dbraw/zinc/10/99/75/214109975.db2.gz PHEBSIHIZYXLAF-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969269 214038282 /nfs/dbraw/zinc/03/82/82/214038282.db2.gz LQXJAJJMOUWVST-UHFFFAOYSA-N 0 3 334.420 2.115 20 5 EEBDHN Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184205221 235332151 /nfs/dbraw/zinc/33/21/51/235332151.db2.gz GCHMHECJLIWPPG-UHFFFAOYSA-N 0 3 348.447 2.049 20 5 EEBDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193919490 240362023 /nfs/dbraw/zinc/36/20/23/240362023.db2.gz AAMAPDVCADCOFY-UHFFFAOYSA-N 0 3 341.433 2.136 20 5 EEBDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130681674 223169573 /nfs/dbraw/zinc/16/95/73/223169573.db2.gz MDFSTIOEDJLQAN-UHFFFAOYSA-N 0 3 345.403 2.369 20 5 EEBDHN COCCNCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234669216 242278772 /nfs/dbraw/zinc/27/87/72/242278772.db2.gz OWLKCZHJQAOLDG-UHFFFAOYSA-N 0 3 332.198 2.314 20 5 EEBDHN C[C@@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCCN1C ZINC000447803876 242317809 /nfs/dbraw/zinc/31/78/09/242317809.db2.gz CGYJVQSENZEGOF-ZBFHGGJFSA-N 0 3 348.447 2.322 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499063 243136111 /nfs/dbraw/zinc/13/61/11/243136111.db2.gz LELXHMUTIPPOBM-HFBAOOFYSA-N 0 3 335.404 2.491 20 5 EEBDHN C[C@H](N[C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611332 243176931 /nfs/dbraw/zinc/17/69/31/243176931.db2.gz PBEVJEMIQSUQRU-GOPGUHFVSA-N 0 3 347.415 2.309 20 5 EEBDHN CNc1nc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455778686 244077269 /nfs/dbraw/zinc/07/72/69/244077269.db2.gz WBVPZOMZTUOIBU-ZDUSSCGKSA-N 0 3 347.419 2.026 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265248589 247336737 /nfs/dbraw/zinc/33/67/37/247336737.db2.gz JOAOKYDIPBABSA-AWEZNQCLSA-N 0 3 343.387 2.021 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000266316885 248243470 /nfs/dbraw/zinc/24/34/70/248243470.db2.gz FBKXPIVTCCPCEP-QWHCGFSZSA-N 0 3 330.388 2.034 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267173555 256034504 /nfs/dbraw/zinc/03/45/04/256034504.db2.gz LPULCSGWJZLNJX-OAHLLOKOSA-N 0 3 338.433 2.462 20 5 EEBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127355 256210910 /nfs/dbraw/zinc/21/09/10/256210910.db2.gz KTXHEAZEOMNGKN-ABAIWWIYSA-N 0 3 334.376 2.111 20 5 EEBDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000088537196 292207440 /nfs/dbraw/zinc/20/74/40/292207440.db2.gz FOONAILDBFGHAS-UHFFFAOYSA-N 0 3 346.387 2.461 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000377283984 154123522 /nfs/dbraw/zinc/12/35/22/154123522.db2.gz WZJPKTJQHTYEMT-CQSZACIVSA-N 0 3 349.431 2.289 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000104530740 159287788 /nfs/dbraw/zinc/28/77/88/159287788.db2.gz ITKYTZJXXKWRLI-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186170588 160061287 /nfs/dbraw/zinc/06/12/87/160061287.db2.gz BEINJYVWCFSGFG-UHFFFAOYSA-N 0 3 343.449 2.337 20 5 EEBDHN COc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000246743616 160292545 /nfs/dbraw/zinc/29/25/45/160292545.db2.gz HBOPLMMANKZYHT-UONOGXRCSA-N 0 3 333.388 2.160 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000341679193 161004878 /nfs/dbraw/zinc/00/48/78/161004878.db2.gz AZXGJWDZGISHDU-ZDUSSCGKSA-N 0 3 328.434 2.330 20 5 EEBDHN Cc1ccc([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920300 161024204 /nfs/dbraw/zinc/02/42/04/161024204.db2.gz JDGSVBZQMSTILH-QWHCGFSZSA-N 0 3 326.418 2.379 20 5 EEBDHN COC1CCC(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000360306046 164280858 /nfs/dbraw/zinc/28/08/58/164280858.db2.gz ZJRWQNLMWGXODH-UHFFFAOYSA-N 0 3 347.415 2.373 20 5 EEBDHN COCC1=CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000360796326 164381949 /nfs/dbraw/zinc/38/19/49/164381949.db2.gz LBCFHZWHSQIYNF-UHFFFAOYSA-N 0 3 347.371 2.171 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000124208378 222392145 /nfs/dbraw/zinc/39/21/45/222392145.db2.gz BYWDXGUHCUHTCC-WCQYABFASA-N 0 3 342.399 2.360 20 5 EEBDHN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1=CCN(C)CC1 ZINC000272652493 269004255 /nfs/dbraw/zinc/00/42/55/269004255.db2.gz FKIRCRRADIYTTJ-ZDUSSCGKSA-N 0 3 342.399 2.316 20 5 EEBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1cnccn1 ZINC000275598656 269128480 /nfs/dbraw/zinc/12/84/80/269128480.db2.gz KIKFBCVAEWLRID-UHFFFAOYSA-N 0 3 347.350 2.027 20 5 EEBDHN Cc1cc(OCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000280852830 269393973 /nfs/dbraw/zinc/39/39/73/269393973.db2.gz CQVFZEZRMGDORF-WMLDXEAASA-N 0 3 347.415 2.225 20 5 EEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000450804977 274354519 /nfs/dbraw/zinc/35/45/19/274354519.db2.gz BVDLOBWTGKLVDA-CQSZACIVSA-N 0 3 327.388 2.343 20 5 EEBDHN CC(C)c1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518506 275066110 /nfs/dbraw/zinc/06/61/10/275066110.db2.gz TVDSSNGQBAMSTJ-NWDGAFQWSA-N 0 3 335.408 2.140 20 5 EEBDHN CC(C)c1[nH]nc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518506 275066111 /nfs/dbraw/zinc/06/61/11/275066111.db2.gz TVDSSNGQBAMSTJ-NWDGAFQWSA-N 0 3 335.408 2.140 20 5 EEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423702805 280397979 /nfs/dbraw/zinc/39/79/79/280397979.db2.gz YWOVETONLSHHRD-LLVKDONJSA-N 0 3 327.331 2.247 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000296755026 294058407 /nfs/dbraw/zinc/05/84/07/294058407.db2.gz QBCZFMAOIIFUMM-CYBMUJFWSA-N 0 3 346.431 2.258 20 5 EEBDHN COc1cc(C(=O)N(CCN(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000297922439 294374499 /nfs/dbraw/zinc/37/44/99/294374499.db2.gz UOFRTLGZSILPHV-UHFFFAOYSA-N 0 3 327.356 2.155 20 5 EEBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811614 303010057 /nfs/dbraw/zinc/01/00/57/303010057.db2.gz SQCGHQKSUNCPAM-CQSZACIVSA-N 0 3 335.795 2.128 20 5 EEBDHN CN(C)C(C)(C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000350731382 312341490 /nfs/dbraw/zinc/34/14/90/312341490.db2.gz ZGAOKYVCXRHPSH-UHFFFAOYSA-N 0 3 345.403 2.311 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC1 ZINC000542776374 318139061 /nfs/dbraw/zinc/13/90/61/318139061.db2.gz IOODSBPDNZNMSN-SNVBAGLBSA-N 0 3 343.330 2.410 20 5 EEBDHN O=C(NCC1CCN(Cc2cccs2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414530 318387160 /nfs/dbraw/zinc/38/71/60/318387160.db2.gz PBASXKWZLHYCGY-UHFFFAOYSA-N 0 3 349.416 2.021 20 5 EEBDHN Cn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565906453 319226011 /nfs/dbraw/zinc/22/60/11/319226011.db2.gz YERMMKXALYGCIN-DZKIICNBSA-N 0 3 328.372 2.435 20 5 EEBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000566118588 319247882 /nfs/dbraw/zinc/24/78/82/319247882.db2.gz DMWJBHHXFLCEKP-HNNXBMFYSA-N 0 3 331.372 2.136 20 5 EEBDHN CC[C@@H](CSC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578316172 320307000 /nfs/dbraw/zinc/30/70/00/320307000.db2.gz PPONSBXUBDQPFG-NSHDSACASA-N 0 3 332.447 2.100 20 5 EEBDHN Cc1c(Br)c(NC[C@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC000603421036 450294151 /nfs/dbraw/zinc/29/41/51/450294151.db2.gz XHQOIUCJGDEGMK-QMMMGPOBSA-N 0 3 347.238 2.178 20 5 EEBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])C1 ZINC000347503352 465061699 /nfs/dbraw/zinc/06/16/99/465061699.db2.gz SKKLRLJHUMVINF-AWEZNQCLSA-N 0 3 346.431 2.267 20 5 EEBDHN COCC1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000358774329 465314854 /nfs/dbraw/zinc/31/48/54/465314854.db2.gz WYWIDIVZCKKBEO-OAHLLOKOSA-N 0 3 338.404 2.083 20 5 EEBDHN CC(C)[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337458673 465381943 /nfs/dbraw/zinc/38/19/43/465381943.db2.gz JFDYWZINBCRWSA-INIZCTEOSA-N 0 3 334.420 2.195 20 5 EEBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000153050896 462609786 /nfs/dbraw/zinc/60/97/86/462609786.db2.gz QJIFKZAFNUKUCT-UHFFFAOYSA-N 0 3 328.372 2.493 20 5 EEBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775144 462633704 /nfs/dbraw/zinc/63/37/04/462633704.db2.gz AAZNCIIZUFVBPV-CQSZACIVSA-N 0 3 342.403 2.068 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 ZINC000089644483 462703604 /nfs/dbraw/zinc/70/36/04/462703604.db2.gz NJRAWSMATSMFEZ-HZPDHXFCSA-N 0 3 328.372 2.037 20 5 EEBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067272801 462986043 /nfs/dbraw/zinc/98/60/43/462986043.db2.gz LFZAJOLYTQAOBQ-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000067536699 463016697 /nfs/dbraw/zinc/01/66/97/463016697.db2.gz JELYFKQRWXWDEU-UHFFFAOYSA-N 0 3 341.371 2.022 20 5 EEBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026218837 463154490 /nfs/dbraw/zinc/15/44/90/463154490.db2.gz OGNOTUAUNGUKLS-ZDUSSCGKSA-N 0 3 349.387 2.199 20 5 EEBDHN C[C@H](CN1CCCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027765712 463204294 /nfs/dbraw/zinc/20/42/94/463204294.db2.gz YFFLOMVNIWBKOI-LLVKDONJSA-N 0 3 331.376 2.075 20 5 EEBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC000160528217 463346636 /nfs/dbraw/zinc/34/66/36/463346636.db2.gz NOQOISRRLYEJLH-LBPRGKRZSA-N 0 3 345.321 2.184 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000591040952 468398213 /nfs/dbraw/zinc/39/82/13/468398213.db2.gz KJUCNTCPMZGVPL-WBMJQRKESA-N 0 3 349.387 2.043 20 5 EEBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(CN(C)C)c1 ZINC000180565965 464337840 /nfs/dbraw/zinc/33/78/40/464337840.db2.gz VDCLOEIVOAXVDB-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN CN1CCC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292865774 464369912 /nfs/dbraw/zinc/36/99/12/464369912.db2.gz SLVWIQHRXOEYEX-GOSISDBHSA-N 0 3 344.415 2.402 20 5 EEBDHN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264616051 464395871 /nfs/dbraw/zinc/39/58/71/464395871.db2.gz QPRAOMYDQBSEEE-OAHLLOKOSA-N 0 3 332.404 2.365 20 5 EEBDHN CN1CC=C(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271914969 464411846 /nfs/dbraw/zinc/41/18/46/464411846.db2.gz QZONAKMKHDYSIZ-UHFFFAOYSA-N 0 3 338.795 2.309 20 5 EEBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264675800 464418541 /nfs/dbraw/zinc/41/85/41/464418541.db2.gz NLMYFHMRKIGZDY-RYUDHWBXSA-N 0 3 337.424 2.121 20 5 EEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285171909 464474629 /nfs/dbraw/zinc/47/46/29/464474629.db2.gz CPWXHTONZNXSHW-UHFFFAOYSA-N 0 3 331.376 2.042 20 5 EEBDHN COC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225423 464525449 /nfs/dbraw/zinc/52/54/49/464525449.db2.gz SVHAMYOINBTEFD-DOMZBBRYSA-N 0 3 333.388 2.220 20 5 EEBDHN COc1cc(C(=O)N2CCCN(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294667507 464569310 /nfs/dbraw/zinc/56/93/10/464569310.db2.gz SITBXRAGGPEIJA-UHFFFAOYSA-N 0 3 339.367 2.299 20 5 EEBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265567572 464603499 /nfs/dbraw/zinc/60/34/99/464603499.db2.gz UKMFILOBQDKPAG-LBPRGKRZSA-N 0 3 341.843 2.329 20 5 EEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCCN(C)C1 ZINC000294830658 464619115 /nfs/dbraw/zinc/61/91/15/464619115.db2.gz DGJWMSCVUFRARV-AWEZNQCLSA-N 0 3 343.387 2.151 20 5 EEBDHN CN1CC[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272540836 464652460 /nfs/dbraw/zinc/65/24/60/464652460.db2.gz BYOMHADDWNGOEY-SWLSCSKDSA-N 0 3 335.429 2.240 20 5 EEBDHN CN(CCCN1CCN(C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000276272730 464872619 /nfs/dbraw/zinc/87/26/19/464872619.db2.gz VFTCUOFJKLXZCM-UHFFFAOYSA-N 0 3 326.828 2.322 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355909 464902186 /nfs/dbraw/zinc/90/21/86/464902186.db2.gz VBEXWWWSPJQKRM-NWDGAFQWSA-N 0 3 341.433 2.283 20 5 EEBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000599985341 468428414 /nfs/dbraw/zinc/42/84/14/468428414.db2.gz CLJUVTIJVNGFJO-UHFFFAOYSA-N 0 3 331.376 2.027 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177314833 464984625 /nfs/dbraw/zinc/98/46/25/464984625.db2.gz UOJVTJNMNCNWHC-ZBFHGGJFSA-N 0 3 346.431 2.400 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000339520737 465318555 /nfs/dbraw/zinc/31/85/55/465318555.db2.gz CKCORRGYWNWUKK-UHFFFAOYSA-N 0 3 348.378 2.349 20 5 EEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337711648 465532870 /nfs/dbraw/zinc/53/28/70/465532870.db2.gz FEEXKSXSWMPLRX-UHFFFAOYSA-N 0 3 349.435 2.104 20 5 EEBDHN C[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000361064258 465739975 /nfs/dbraw/zinc/73/99/75/465739975.db2.gz BQSLFIOXFLGCBW-RISCZKNCSA-N 0 3 332.404 2.382 20 5 EEBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O ZINC000330706737 465770991 /nfs/dbraw/zinc/77/09/91/465770991.db2.gz LZHSFYIPEAVQST-GXTWGEPZSA-N 0 3 325.384 2.011 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000371599019 465895717 /nfs/dbraw/zinc/89/57/17/465895717.db2.gz ZHPNCPKKAYILMX-GFCCVEGCSA-N 0 3 333.388 2.350 20 5 EEBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287601 465985184 /nfs/dbraw/zinc/98/51/84/465985184.db2.gz BRXGYOFJXQEQOX-NEPJUHHUSA-N 0 3 337.376 2.019 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C ZINC000331302731 466020293 /nfs/dbraw/zinc/02/02/93/466020293.db2.gz XNQKZRIFIOUSCR-LBPRGKRZSA-N 0 3 343.449 2.158 20 5 EEBDHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346249697 466027704 /nfs/dbraw/zinc/02/77/04/466027704.db2.gz XKRKEQOOVYECLO-VNHYZAJKSA-N 0 3 347.415 2.406 20 5 EEBDHN O=C(CCN1CCOCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371888523 466052211 /nfs/dbraw/zinc/05/22/11/466052211.db2.gz PNCKFURCYGRQAY-UHFFFAOYSA-N 0 3 333.388 2.426 20 5 EEBDHN Cc1cc(N2CCN(CCO)C(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302551077 466153770 /nfs/dbraw/zinc/15/37/70/466153770.db2.gz QJDSMVMBKZQJEV-UHFFFAOYSA-N 0 3 344.415 2.344 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(N(C)C)CC1 ZINC000416300426 466729099 /nfs/dbraw/zinc/72/90/99/466729099.db2.gz ISJAZPQCJAFILF-JTQLQIEISA-N 0 3 341.795 2.226 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC12CCN(C)CC2 ZINC000365256461 466759803 /nfs/dbraw/zinc/75/98/03/466759803.db2.gz OSJPSKUBDFWBHG-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000373794530 466921799 /nfs/dbraw/zinc/92/17/99/466921799.db2.gz HQMXHWTWHZYGOT-OCCSQVGLSA-N 0 3 333.388 2.302 20 5 EEBDHN COC(=O)[C@@H]1CN(C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000411908955 466931120 /nfs/dbraw/zinc/93/11/20/466931120.db2.gz FDAUJLBUTMPGLY-UONOGXRCSA-N 0 3 335.404 2.001 20 5 EEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)CNC2 ZINC000417942524 466996144 /nfs/dbraw/zinc/99/61/44/466996144.db2.gz OEVOQUGVPAAPCQ-UHFFFAOYSA-N 0 3 340.383 2.240 20 5 EEBDHN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000413252999 467197700 /nfs/dbraw/zinc/19/77/00/467197700.db2.gz XYIDLDGJKAUGQI-CYBMUJFWSA-N 0 3 344.415 2.424 20 5 EEBDHN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000413726142 467300290 /nfs/dbraw/zinc/30/02/90/467300290.db2.gz RTRUSAHKISYTPZ-OAUYIBNBSA-N 0 3 329.400 2.465 20 5 EEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452018438 467305751 /nfs/dbraw/zinc/30/57/51/467305751.db2.gz QWBYWPWSEDVYBC-BZUAXINKSA-N 0 3 333.388 2.247 20 5 EEBDHN COC[C@@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452034661 467310072 /nfs/dbraw/zinc/31/00/72/467310072.db2.gz FBIDFLDAJOSQFF-AWEZNQCLSA-N 0 3 349.387 2.394 20 5 EEBDHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420176673 467316590 /nfs/dbraw/zinc/31/65/90/467316590.db2.gz QOZBCRVWZHTVPC-CYBMUJFWSA-N 0 3 328.372 2.367 20 5 EEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420472311 467418482 /nfs/dbraw/zinc/41/84/82/467418482.db2.gz SIDBJDDGTTYIIQ-KOLCDFICSA-N 0 3 347.824 2.044 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000431047716 467490948 /nfs/dbraw/zinc/49/09/48/467490948.db2.gz YGBIRRDMJXRIMD-UHFFFAOYSA-N 0 3 329.422 2.007 20 5 EEBDHN CC(COC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496649160 467685554 /nfs/dbraw/zinc/68/55/54/467685554.db2.gz JRMLFJDOOUFPDE-NHYWBVRUSA-N 0 3 330.381 2.232 20 5 EEBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458195184 467787492 /nfs/dbraw/zinc/78/74/92/467787492.db2.gz LJZGSMNANSOUHG-UHFFFAOYSA-N 0 3 347.375 2.127 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000490206106 468201505 /nfs/dbraw/zinc/20/15/05/468201505.db2.gz GOQJPXVRBOJLDD-QGZVFWFLSA-N 0 3 332.404 2.140 20 5 EEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195318 468508892 /nfs/dbraw/zinc/50/88/92/468508892.db2.gz FNZGYIOGDOVTAV-CHWSQXEVSA-N 0 3 347.371 2.070 20 5 EEBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(C)C1 ZINC000592829732 468799043 /nfs/dbraw/zinc/79/90/43/468799043.db2.gz XBCQQSXLZRVQLG-CQSZACIVSA-N 0 3 335.404 2.225 20 5 EEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598260297 468809400 /nfs/dbraw/zinc/80/94/00/468809400.db2.gz ACMUACLJUFELGU-AWEZNQCLSA-N 0 3 335.404 2.210 20 5 EEBDHN CC(C)[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598577082 468920034 /nfs/dbraw/zinc/92/00/34/468920034.db2.gz VBOSWSUPCQPRBY-INIZCTEOSA-N 0 3 334.420 2.243 20 5 EEBDHN COC(=O)c1ccnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598590868 468925144 /nfs/dbraw/zinc/92/51/44/468925144.db2.gz RJVGHRCURZIPEB-VXGBXAGGSA-N 0 3 336.392 2.309 20 5 EEBDHN C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC[C@H](C)C1 ZINC000587210557 469085964 /nfs/dbraw/zinc/08/59/64/469085964.db2.gz PNDWMJOJRHQXRZ-RYUDHWBXSA-N 0 3 345.403 2.776 20 5 EEBDHN CC(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCCC1 ZINC000596070864 469139993 /nfs/dbraw/zinc/13/99/93/469139993.db2.gz UATIZNDSGCYNSI-HNNXBMFYSA-N 0 3 345.403 2.776 20 5 EEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000589198257 469212072 /nfs/dbraw/zinc/21/20/72/469212072.db2.gz XKUUBECTZSYHQQ-INIZCTEOSA-N 0 3 330.388 2.198 20 5 EEBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](N3CCCCC3)C1)OCCO2 ZINC000611268566 469214421 /nfs/dbraw/zinc/21/44/21/469214421.db2.gz PLIRVLIIKDYKSC-OAHLLOKOSA-N 0 3 347.415 2.426 20 5 EEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000611567470 469281977 /nfs/dbraw/zinc/28/19/77/469281977.db2.gz HWGNSWONZIDMLX-UHFFFAOYSA-N 0 3 332.360 2.351 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccncc2)CC1 ZINC000619531686 469633211 /nfs/dbraw/zinc/63/32/11/469633211.db2.gz WTINNJYERJFWAA-UHFFFAOYSA-N 0 3 328.372 2.321 20 5 EEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](N2CCCC2)C1 ZINC000608905844 469885881 /nfs/dbraw/zinc/88/58/81/469885881.db2.gz KVJYDJIDUPHEOW-MRXNPFEDSA-N 0 3 342.399 2.246 20 5 EEBDHN C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000609620920 469950400 /nfs/dbraw/zinc/95/04/00/469950400.db2.gz CUYMQUUDYRWGJD-CQSZACIVSA-N 0 3 335.404 2.354 20 5 EEBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766296 469959708 /nfs/dbraw/zinc/95/97/08/469959708.db2.gz HBWVHNYMYPBFNB-LBPRGKRZSA-N 0 3 335.360 2.004 20 5 EEBDHN O=C1CCCN1C[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595830631 485609665 /nfs/dbraw/zinc/60/96/65/485609665.db2.gz GKOGOQMYLSOJEB-HNNXBMFYSA-N 0 3 347.415 2.308 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C3CCC3)cc2)c1 ZINC000571671433 490646093 /nfs/dbraw/zinc/64/60/93/490646093.db2.gz HRVPHIFWOUZJLR-KRWDZBQOSA-N 0 3 330.388 2.210 20 5 EEBDHN COc1ccc(NC(=O)CN[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773479 536772807 /nfs/dbraw/zinc/77/28/07/536772807.db2.gz STTCOJXQODXLIN-LSDHHAIUSA-N 0 3 349.387 2.089 20 5 EEBDHN COc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000731678829 577116026 /nfs/dbraw/zinc/11/60/26/577116026.db2.gz RCNPJVMGQQYJPE-HNNXBMFYSA-N 0 3 332.356 2.435 20 5 EEBDHN COc1ccccc1OCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776270735 577456144 /nfs/dbraw/zinc/45/61/44/577456144.db2.gz GCYCYMWSKNYIBZ-OAHLLOKOSA-N 0 3 332.356 2.305 20 5 EEBDHN CCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580284 577463084 /nfs/dbraw/zinc/46/30/84/577463084.db2.gz SFJJGJDLNGBKPN-NVXWUHKLSA-N 0 3 349.431 2.257 20 5 EEBDHN Cc1nn(CN2CC[C@@H](c3nccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791764 577831596 /nfs/dbraw/zinc/83/15/96/577831596.db2.gz SFVSLARTPJNJRT-CYBMUJFWSA-N 0 3 340.387 2.433 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638870 577979367 /nfs/dbraw/zinc/97/93/67/577979367.db2.gz LZHXMKBOCLDCBI-HKUYNNGSSA-N 0 3 341.411 2.492 20 5 EEBDHN Cc1nn(CN(C[C@@H]2CCOC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938408 577984121 /nfs/dbraw/zinc/98/41/21/577984121.db2.gz KQZKUFBGFIIPFE-LBPRGKRZSA-N 0 3 331.376 2.106 20 5 EEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001021773714 676433574 /nfs/dbraw/zinc/43/35/74/676433574.db2.gz VETPIPDRVQYJMK-OKILXGFUSA-N 0 3 326.356 2.040 20 5 EEBDHN CCN1CCC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891461842 676666215 /nfs/dbraw/zinc/66/62/15/676666215.db2.gz XBVVOPLHFCWEQU-LBPRGKRZSA-N 0 3 330.388 2.343 20 5 EEBDHN COc1c([O-])ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000892098546 677998185 /nfs/dbraw/zinc/99/81/85/677998185.db2.gz GVUVKDGQRQFQFB-CYBMUJFWSA-N 0 3 335.404 2.227 20 5 EEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001019933004 683503873 /nfs/dbraw/zinc/50/38/73/683503873.db2.gz VETPIPDRVQYJMK-HDJSIYSDSA-N 0 3 326.356 2.040 20 5 EEBDHN C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895245609 684372250 /nfs/dbraw/zinc/37/22/50/684372250.db2.gz GVYYFUCJRCWUQB-MLGOLLRUSA-N 0 3 329.404 2.189 20 5 EEBDHN COCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001128846221 1195800264 /nfs/dbraw/zinc/80/02/64/1195800264.db2.gz LWWSXWVZRVJYHG-UHFFFAOYSA-N 0 3 349.431 2.398 20 5 EEBDHN O=C(Cc1ccncc1Cl)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133853202 1199109318 /nfs/dbraw/zinc/10/93/18/1199109318.db2.gz DZAYKXTVTOHVLK-UHFFFAOYSA-N 0 3 348.790 2.092 20 5 EEBDHN CC(F)(F)C1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133952478 1199189425 /nfs/dbraw/zinc/18/94/25/1199189425.db2.gz DLTIWDCGUXTBSC-UHFFFAOYSA-N 0 3 327.331 2.236 20 5 EEBDHN COc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001134181431 1199373422 /nfs/dbraw/zinc/37/34/22/1199373422.db2.gz UJDMTQKVIUDIFP-UHFFFAOYSA-N 0 3 347.346 2.262 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000126067792 1199693719 /nfs/dbraw/zinc/69/37/19/1199693719.db2.gz UXCBJQVIWAPVBF-UHFFFAOYSA-N 0 3 346.387 2.282 20 5 EEBDHN COc1ccc(CSCC(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813106830 1201116313 /nfs/dbraw/zinc/11/63/13/1201116313.db2.gz IJQPMLSKRDONKH-VIFPVBQESA-N 0 3 344.345 2.045 20 5 EEBDHN Cc1cc(C)c(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(C)c1 ZINC000813106351 1201117631 /nfs/dbraw/zinc/11/76/31/1201117631.db2.gz BLBMIRSWQXHXFP-KBPBESRZSA-N 0 3 334.372 2.173 20 5 EEBDHN O=[N+]([O-])CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000929248157 1206459295 /nfs/dbraw/zinc/45/92/95/1206459295.db2.gz NNJAHWKPADMYPM-UHFFFAOYSA-N 0 3 331.338 2.490 20 5 EEBDHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC001114798195 1215318405 /nfs/dbraw/zinc/31/84/05/1215318405.db2.gz XSVJOUCYRBTZLM-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001017544436 1227506529 /nfs/dbraw/zinc/50/65/29/1227506529.db2.gz QVKQCUHARCSDGJ-XMTFNYHQSA-N 0 3 343.427 2.144 20 5 EEBDHN O=C(C1CCC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048636062 1238155774 /nfs/dbraw/zinc/15/57/74/1238155774.db2.gz OPFXRHIZWKUMME-IYBDPMFKSA-N 0 3 329.400 2.285 20 5 EEBDHN O=C(C1CC1)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050396711 1243505581 /nfs/dbraw/zinc/50/55/81/1243505581.db2.gz ABVFOQMFCIMPCA-UHFFFAOYSA-N 0 3 329.400 2.429 20 5 EEBDHN CN(CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC001097255278 1243880539 /nfs/dbraw/zinc/88/05/39/1243880539.db2.gz ISYURUYGYPQWIZ-BETUJISGSA-N 0 3 349.435 2.027 20 5 EEBDHN Cc1[nH]c(=O)cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228687794 1302383247 /nfs/dbraw/zinc/38/32/47/1302383247.db2.gz BPONNHVQWCWLAJ-BETUJISGSA-N 0 3 337.376 2.026 20 5 EEBDHN Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000841531276 1315572517 /nfs/dbraw/zinc/57/25/17/1315572517.db2.gz XPWKPQZQTMDKLT-UHFFFAOYSA-N 0 3 349.840 2.175 20 5 EEBDHN CCOc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1[N+](=O)[O-] ZINC001155826346 1317750672 /nfs/dbraw/zinc/75/06/72/1317750672.db2.gz GSSICYCRBPLTNR-XJKSGUPXSA-N 0 3 336.392 2.102 20 5 EEBDHN CC1=NC2(CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254571610 1318126392 /nfs/dbraw/zinc/12/63/92/1318126392.db2.gz YVBVBSQQHFFQNT-ZDUSSCGKSA-N 0 3 344.415 2.251 20 5 EEBDHN COc1cc(N2CCC(n3cncc3CN)CC2)ccc1[N+](=O)[O-] ZINC001256082224 1318641614 /nfs/dbraw/zinc/64/16/14/1318641614.db2.gz BUTJHOIUACCHDY-UHFFFAOYSA-N 0 3 331.376 2.100 20 5 EEBDHN COC(=O)c1cc(NC(=O)[C@@H](N)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001326311241 1334065444 /nfs/dbraw/zinc/06/54/44/1334065444.db2.gz SFTPCVFSQRYXGX-AWEZNQCLSA-N 0 3 335.360 2.228 20 5 EEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCNC2 ZINC001580570164 1344539226 /nfs/dbraw/zinc/53/92/26/1344539226.db2.gz OTEYATIALYXOLG-UHFFFAOYSA-N 0 3 345.330 2.397 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604102884 1350858105 /nfs/dbraw/zinc/85/81/05/1350858105.db2.gz JDADTKAMUREJJD-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604102884 1350858109 /nfs/dbraw/zinc/85/81/09/1350858109.db2.gz JDADTKAMUREJJD-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604102884 1350858115 /nfs/dbraw/zinc/85/81/15/1350858115.db2.gz JDADTKAMUREJJD-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CC[C@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604102884 1350858119 /nfs/dbraw/zinc/85/81/19/1350858119.db2.gz JDADTKAMUREJJD-LBPRGKRZSA-N 0 3 345.407 2.451 20 5 EEBDHN CN(C)C(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000831121885 1372364632 /nfs/dbraw/zinc/36/46/32/1372364632.db2.gz WOPFMABEPMWDQP-OAHLLOKOSA-N 0 3 335.404 2.009 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCC[S@@](=O)Cc2ccccc2)cc1 ZINC000819042367 785372032 /nfs/dbraw/zinc/37/20/32/785372032.db2.gz MDLQSTPQIDWWDF-BXKMTCNYSA-N 0 3 348.424 2.167 20 5 EEBDHN CSCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819088494 785397174 /nfs/dbraw/zinc/39/71/74/785397174.db2.gz SNIIJSWJTMOOGW-NSHDSACASA-N 0 3 332.447 2.100 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107204043 786394304 /nfs/dbraw/zinc/39/43/04/786394304.db2.gz HZHJTQMRFDODJI-SREVYHEPSA-N 0 3 334.420 2.329 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C2(N(C)C)CCC2)c1 ZINC001107379099 787067560 /nfs/dbraw/zinc/06/75/60/787067560.db2.gz AORFMHKSRVSVTH-PLNGDYQASA-N 0 3 346.431 2.472 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1ncc([N+](=O)[O-])cc1C ZINC001107391346 787104741 /nfs/dbraw/zinc/10/47/41/787104741.db2.gz GILGNKGBAPCYSW-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107391983 787105902 /nfs/dbraw/zinc/10/59/02/787105902.db2.gz QVLNWFIHFANPNW-BQYQJAHWSA-N 0 3 349.435 2.113 20 5 EEBDHN O=C(Cc1ccc(F)cc1F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127816495 787961244 /nfs/dbraw/zinc/96/12/44/787961244.db2.gz XRWSLOKOVZNPHN-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN COC(=O)C[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875912 789971793 /nfs/dbraw/zinc/97/17/93/789971793.db2.gz LTPBBABWWVLPDC-RBZYPMLTSA-N 0 3 327.308 2.274 20 5 EEBDHN CC([C@H](OC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845882626 789973917 /nfs/dbraw/zinc/97/39/17/789973917.db2.gz PGAVILPKDDOJAL-GDLVEWKHSA-N 0 3 338.335 2.134 20 5 EEBDHN Cc1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC001147301382 791774119 /nfs/dbraw/zinc/77/41/19/791774119.db2.gz WCOSSVGMVNTMFH-UHFFFAOYSA-N 0 3 345.403 2.200 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C1CC=CC1 ZINC001178089454 799291018 /nfs/dbraw/zinc/29/10/18/799291018.db2.gz OZWCETNDCRHLGH-UHFFFAOYSA-N 0 3 349.435 2.061 20 5 EEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001086094204 802149463 /nfs/dbraw/zinc/14/94/63/802149463.db2.gz AKDMXSMYIWCURJ-JNSHFYNHSA-N 0 3 328.372 2.221 20 5 EEBDHN CCCc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])no1 ZINC001169892550 804212467 /nfs/dbraw/zinc/21/24/67/804212467.db2.gz CQTCJUOCBJETPK-UHFFFAOYSA-N 0 3 346.387 2.445 20 5 EEBDHN CCc1nc(C)c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001170196272 809824370 /nfs/dbraw/zinc/82/43/70/809824370.db2.gz ILIZGFAIHDYPHZ-UHFFFAOYSA-N 0 3 346.387 2.363 20 5 EEBDHN O=C(COCC1CCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129704494 810963209 /nfs/dbraw/zinc/96/32/09/810963209.db2.gz HSJQIBUVXLWHMG-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CC(C)(C)c1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001131209298 812537655 /nfs/dbraw/zinc/53/76/55/812537655.db2.gz OLRUNPAAQVPQIP-UHFFFAOYSA-N 0 3 346.387 2.400 20 5 EEBDHN Cc1csc(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001131372429 812733448 /nfs/dbraw/zinc/73/34/48/812733448.db2.gz GYASGMDPYAKENF-UHFFFAOYSA-N 0 3 348.428 2.198 20 5 EEBDHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1[N+](=O)[O-] ZINC000181811285 234333072 /nfs/dbraw/zinc/33/30/72/234333072.db2.gz QNRVPGHCZKROKS-LBPRGKRZSA-N 0 3 346.343 2.324 20 5 EEBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000129444019 223056498 /nfs/dbraw/zinc/05/64/98/223056498.db2.gz LKHCCKXPYQAPCD-ZDUSSCGKSA-N 0 3 349.412 2.224 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCN1CCCCC1 ZINC000447813814 242319070 /nfs/dbraw/zinc/31/90/70/242319070.db2.gz URCCWARMYYPZEQ-UHFFFAOYSA-N 0 3 348.447 2.325 20 5 EEBDHN C[C@@H]1CN(CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542806 243151486 /nfs/dbraw/zinc/15/14/86/243151486.db2.gz AFZWQBIWXHZHRK-WBVHZDCISA-N 0 3 333.432 2.495 20 5 EEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499645 243135487 /nfs/dbraw/zinc/13/54/87/243135487.db2.gz MKBOMFLSJWVVNZ-XFBWCDHKSA-N 0 3 335.404 2.491 20 5 EEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCc2ccccc2CC1 ZINC000451710850 243219077 /nfs/dbraw/zinc/21/90/77/243219077.db2.gz NFZPBTRMIWVYKA-UHFFFAOYSA-N 0 3 327.384 2.247 20 5 EEBDHN CC(C)N(C)C[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451821333 243280836 /nfs/dbraw/zinc/28/08/36/243280836.db2.gz ADUZDOCOGLKXDK-ZDUSSCGKSA-N 0 3 335.404 2.403 20 5 EEBDHN CCOC[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713922 245220238 /nfs/dbraw/zinc/22/02/38/245220238.db2.gz OFFRFKCSEZTFBG-CABCVRRESA-N 0 3 338.404 2.226 20 5 EEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738077 245229987 /nfs/dbraw/zinc/22/99/87/245229987.db2.gz AAGHEJOMTVFSER-UONOGXRCSA-N 0 3 333.388 2.389 20 5 EEBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907983 247032078 /nfs/dbraw/zinc/03/20/78/247032078.db2.gz XZKYARMFTXLIDE-DGCLKSJQSA-N 0 3 331.376 2.105 20 5 EEBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936148 247946301 /nfs/dbraw/zinc/94/63/01/247946301.db2.gz FAQUPTMWRLQFMO-CJYSPXJISA-N 0 3 333.388 2.325 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccnc1 ZINC000132675062 533138286 /nfs/dbraw/zinc/13/82/86/533138286.db2.gz CYNRIFDCLPDRNZ-UHFFFAOYSA-N 0 3 344.371 2.459 20 5 EEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000273531364 256304234 /nfs/dbraw/zinc/30/42/34/256304234.db2.gz RINYENXYPSIDFX-CABCVRRESA-N 0 3 335.429 2.247 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)cc1 ZINC000180816162 533406411 /nfs/dbraw/zinc/40/64/11/533406411.db2.gz TYNRVVOVGVIEMV-CYBMUJFWSA-N 0 3 326.360 2.328 20 5 EEBDHN CCS(=O)(=O)C[C@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635384 286643710 /nfs/dbraw/zinc/64/37/10/286643710.db2.gz CQGLBOXOULLKEK-SWLSCSKDSA-N 0 3 340.445 2.329 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104531393 159287278 /nfs/dbraw/zinc/28/72/78/159287278.db2.gz SXRMEEJYUSEOTI-UHFFFAOYSA-N 0 3 345.403 2.194 20 5 EEBDHN COc1cc(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000188718330 160127732 /nfs/dbraw/zinc/12/77/32/160127732.db2.gz OSFOKGMLWGTGRT-UHFFFAOYSA-N 0 3 335.404 2.374 20 5 EEBDHN Cc1cc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000342572608 161075095 /nfs/dbraw/zinc/07/50/95/161075095.db2.gz FXHAHOALGLOFDH-LLVKDONJSA-N 0 3 331.376 2.144 20 5 EEBDHN CCCN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343067224 161099801 /nfs/dbraw/zinc/09/98/01/161099801.db2.gz MYUWSEOYBNHLMD-UHFFFAOYSA-N 0 3 346.387 2.262 20 5 EEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(CS(C)(=O)=O)CC1 ZINC000345043619 161266448 /nfs/dbraw/zinc/26/64/48/161266448.db2.gz JHRRCOZRSYIPIA-JYRVWZFOSA-N 0 3 338.429 2.413 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346238240 161361696 /nfs/dbraw/zinc/36/16/96/161361696.db2.gz OHVSMRRZPMZZBH-DVOMOZLQSA-N 0 3 347.415 2.406 20 5 EEBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(F)cc1 ZINC000359781665 164170426 /nfs/dbraw/zinc/17/04/26/164170426.db2.gz ABYQRLKWEJVHLD-CYBMUJFWSA-N 0 3 334.351 2.105 20 5 EEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2ccco2)C1 ZINC000364640116 165218036 /nfs/dbraw/zinc/21/80/36/165218036.db2.gz AYUGQUBWKRITLC-UONOGXRCSA-N 0 3 332.356 2.417 20 5 EEBDHN Cc1cc(C(=O)NC[C@H]2NCCc3ccccc32)c(N)c([N+](=O)[O-])c1 ZINC000375969408 167238143 /nfs/dbraw/zinc/23/81/43/167238143.db2.gz OWINJRQIXWWAJU-OAHLLOKOSA-N 0 3 340.383 2.102 20 5 EEBDHN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272625729 269000219 /nfs/dbraw/zinc/00/02/19/269000219.db2.gz VLAITBHGTNHODS-MNOVXSKESA-N 0 3 341.795 2.226 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272730331 269013496 /nfs/dbraw/zinc/01/34/96/269013496.db2.gz KPKBTDBEPVNJLO-LBPRGKRZSA-N 0 3 348.403 2.053 20 5 EEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCN(C)C1 ZINC000279621226 269294952 /nfs/dbraw/zinc/29/49/52/269294952.db2.gz YJLKFNQXJVXQDA-SECBINFHSA-N 0 3 327.768 2.398 20 5 EEBDHN COCCCN(C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188174228 274028398 /nfs/dbraw/zinc/02/83/98/274028398.db2.gz GKYORMRLGHZKDT-UHFFFAOYSA-N 0 3 341.433 2.015 20 5 EEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000338696233 274118441 /nfs/dbraw/zinc/11/84/41/274118441.db2.gz YEXLWEIRUWAARD-AWEZNQCLSA-N 0 3 348.447 2.208 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)C(F)(F)F ZINC000271541657 274141147 /nfs/dbraw/zinc/14/11/47/274141147.db2.gz QUVGSKIMHBIXBD-ZANVPECISA-N 0 3 349.309 2.215 20 5 EEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245665613 274220594 /nfs/dbraw/zinc/22/05/94/274220594.db2.gz GOQYSHNTQBNZIW-XQQFMLRXSA-N 0 3 334.420 2.273 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CN3CCC[C@@H]3CO1)CCC2 ZINC000365489596 275038444 /nfs/dbraw/zinc/03/84/44/275038444.db2.gz FWUVIUBWTDCMCY-SOLBZPMBSA-N 0 3 331.416 2.425 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000288527078 275067125 /nfs/dbraw/zinc/06/71/25/275067125.db2.gz UIRHESCOUUSXHP-JSGCOSHPSA-N 0 3 333.388 2.302 20 5 EEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000289468044 275118490 /nfs/dbraw/zinc/11/84/90/275118490.db2.gz HRDBWNNBBUCYKN-CYBMUJFWSA-N 0 3 343.449 2.135 20 5 EEBDHN Cc1cc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc([N+](=O)[O-])c1F ZINC000289703436 275140714 /nfs/dbraw/zinc/14/07/14/275140714.db2.gz WIGCZYDIMBNWEQ-LLVKDONJSA-N 0 3 347.412 2.049 20 5 EEBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000290057819 275174893 /nfs/dbraw/zinc/17/48/93/275174893.db2.gz XMHSCFAPOMAWFM-CQSZACIVSA-N 0 3 343.387 2.375 20 5 EEBDHN CN1CC[C@@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000292189477 275390731 /nfs/dbraw/zinc/39/07/31/275390731.db2.gz GANFGQVHWRDLAA-CYBMUJFWSA-N 0 3 341.209 2.284 20 5 EEBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000438338793 288113848 /nfs/dbraw/zinc/11/38/48/288113848.db2.gz LFDDQBQXPIHKJZ-DDJMYBDESA-N 0 3 333.432 2.385 20 5 EEBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171872925 281363048 /nfs/dbraw/zinc/36/30/48/281363048.db2.gz OLPKXJXIRUPMOV-LBPRGKRZSA-N 0 3 345.403 2.131 20 5 EEBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287477021 293062652 /nfs/dbraw/zinc/06/26/52/293062652.db2.gz MQFBJJSTODCKCU-UHFFFAOYSA-N 0 3 343.387 2.055 20 5 EEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCC(F)(F)F ZINC000292899796 293072097 /nfs/dbraw/zinc/07/20/97/293072097.db2.gz JZGPRXOGQBIDQX-ZDUSSCGKSA-N 0 3 336.310 2.009 20 5 EEBDHN C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570236 293241139 /nfs/dbraw/zinc/24/11/39/293241139.db2.gz DJVINWTZMAFMOE-LBPRGKRZSA-N 0 3 334.420 2.476 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294195728 293393643 /nfs/dbraw/zinc/39/36/43/293393643.db2.gz PSZXPFLYDIUTEJ-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)c1C ZINC000194771237 301859878 /nfs/dbraw/zinc/85/98/78/301859878.db2.gz VFQZBYQFBAUWPK-ZDUSSCGKSA-N 0 3 341.433 2.007 20 5 EEBDHN CN(C)CCn1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000303022102 311558863 /nfs/dbraw/zinc/55/88/63/311558863.db2.gz NBMJEJVVEXRKSO-VMPITWQZSA-N 0 3 329.360 2.005 20 5 EEBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCCCC2)c(C(F)(F)F)c1 ZINC000413054032 312777227 /nfs/dbraw/zinc/77/72/27/312777227.db2.gz MFINPNGFVIZJQG-LLVKDONJSA-N 0 3 348.325 2.267 20 5 EEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN(C[C@H]4CCOC4)CC3)c2c1 ZINC000413183605 312814661 /nfs/dbraw/zinc/81/46/61/312814661.db2.gz VSFMSZYAHMILPJ-CQSZACIVSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025489 314029294 /nfs/dbraw/zinc/02/92/94/314029294.db2.gz QXZLJVCZDCRGRN-CHWSQXEVSA-N 0 3 338.408 2.091 20 5 EEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000422030349 314172241 /nfs/dbraw/zinc/17/22/41/314172241.db2.gz APBXAPPPXZOQDW-CQSZACIVSA-N 0 3 343.387 2.151 20 5 EEBDHN Cc1ccc(NCC(=O)NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000431474177 314635537 /nfs/dbraw/zinc/63/55/37/314635537.db2.gz SZLILGRMBBGBKS-UHFFFAOYSA-N 0 3 334.420 2.307 20 5 EEBDHN CC[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000439470144 315079702 /nfs/dbraw/zinc/07/97/02/315079702.db2.gz NHYNKHMOMMOFDA-AWEZNQCLSA-N 0 3 349.387 2.394 20 5 EEBDHN CCc1[n-]nc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000444135217 315275939 /nfs/dbraw/zinc/27/59/39/315275939.db2.gz AORCREMLHGCDGY-UHFFFAOYSA-N 0 3 347.375 2.073 20 5 EEBDHN CC[C@H]1CCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862648 318011640 /nfs/dbraw/zinc/01/16/40/318011640.db2.gz KHXLBFHIRHMLBU-STQMWFEESA-N 0 3 341.433 2.041 20 5 EEBDHN COc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000575356058 320102979 /nfs/dbraw/zinc/10/29/79/320102979.db2.gz ULOYIXZVNMOYQR-OAHLLOKOSA-N 0 3 346.383 2.441 20 5 EEBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251491 465130276 /nfs/dbraw/zinc/13/02/76/465130276.db2.gz XLBDIOKYURLSKO-ZIAGYGMSSA-N 0 3 334.420 2.338 20 5 EEBDHN CC(=O)NCC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000347668525 465160156 /nfs/dbraw/zinc/16/01/56/465160156.db2.gz RFBJOINIDLFKDR-OAHLLOKOSA-N 0 3 335.404 2.212 20 5 EEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000087005847 462583103 /nfs/dbraw/zinc/58/31/03/462583103.db2.gz QGODVANEOANESI-UHFFFAOYSA-N 0 3 340.383 2.271 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000088703240 462642622 /nfs/dbraw/zinc/64/26/22/462642622.db2.gz DDFBAXFLKSAEKJ-UHFFFAOYSA-N 0 3 332.448 2.367 20 5 EEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1(=O)=O ZINC000090466244 462792751 /nfs/dbraw/zinc/79/27/51/462792751.db2.gz IJYWVADMYUXBKE-JSGCOSHPSA-N 0 3 326.418 2.083 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)cc1 ZINC000090538933 462796498 /nfs/dbraw/zinc/79/64/98/462796498.db2.gz JNSTXPZZVFYOHO-ZDUSSCGKSA-N 0 3 326.360 2.328 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000012141697 462844884 /nfs/dbraw/zinc/84/48/84/462844884.db2.gz SMRRBSGBWQVQQJ-UHFFFAOYSA-N 0 3 343.449 2.300 20 5 EEBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076348155 462846435 /nfs/dbraw/zinc/84/64/35/462846435.db2.gz WQIOJGOVWDFLRX-CYBMUJFWSA-N 0 3 337.376 2.043 20 5 EEBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590752574 468326509 /nfs/dbraw/zinc/32/65/09/468326509.db2.gz NYACACWUZKZTEP-SCRDCRAPSA-N 0 3 349.387 2.162 20 5 EEBDHN CCN(C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000119983751 462948639 /nfs/dbraw/zinc/94/86/39/462948639.db2.gz KVUXAVPCWGHATF-UHFFFAOYSA-N 0 3 344.209 2.347 20 5 EEBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000077236652 462957500 /nfs/dbraw/zinc/95/75/00/462957500.db2.gz UHHBBAODMZDBRX-ZDUSSCGKSA-N 0 3 342.403 2.068 20 5 EEBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067270854 462985173 /nfs/dbraw/zinc/98/51/73/462985173.db2.gz BFDUTYAZDDTOCN-CQSZACIVSA-N 0 3 335.404 2.210 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCCO)Cc2cccc(Cl)c2)n1 ZINC000134286573 463021899 /nfs/dbraw/zinc/02/18/99/463021899.db2.gz ZCIXHGZMKLYTNZ-UHFFFAOYSA-N 0 3 338.795 2.329 20 5 EEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000120890653 463051359 /nfs/dbraw/zinc/05/13/59/463051359.db2.gz QHMNFCCQSRCVCB-HIFRSBDPSA-N 0 3 334.420 2.195 20 5 EEBDHN CCOC(=O)c1ccnc(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000077929929 463073326 /nfs/dbraw/zinc/07/33/26/463073326.db2.gz DHZPXANLAWBDGQ-ZDUSSCGKSA-N 0 3 348.403 2.231 20 5 EEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068903111 463188218 /nfs/dbraw/zinc/18/82/18/463188218.db2.gz WBAZVBQMMWPREJ-UHFFFAOYSA-N 0 3 341.433 2.138 20 5 EEBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](N2CCCC2)C1 ZINC000536478872 468352314 /nfs/dbraw/zinc/35/23/14/468352314.db2.gz XGQHWAYTLCYCNL-LBPRGKRZSA-N 0 3 328.372 2.386 20 5 EEBDHN C[C@@H]1C[C@H](C)CN(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770087 468386181 /nfs/dbraw/zinc/38/61/81/468386181.db2.gz OXRJGWAESHIFCL-TXEJJXNPSA-N 0 3 331.372 2.169 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269449510 463988350 /nfs/dbraw/zinc/98/83/50/463988350.db2.gz GCJYIUMZYZMYPY-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269449510 463988354 /nfs/dbraw/zinc/98/83/54/463988354.db2.gz GCJYIUMZYZMYPY-NEPJUHHUSA-N 0 3 335.408 2.140 20 5 EEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CC1 ZINC000279190119 464058004 /nfs/dbraw/zinc/05/80/04/464058004.db2.gz LIXAAQSHMHLCQI-UHFFFAOYSA-N 0 3 338.383 2.014 20 5 EEBDHN CC(C)CCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179199109 464080470 /nfs/dbraw/zinc/08/04/70/464080470.db2.gz XUMXACHOSLLKIQ-UHFFFAOYSA-N 0 3 337.420 2.284 20 5 EEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759215 464182015 /nfs/dbraw/zinc/18/20/15/464182015.db2.gz NHDAPWZXUGJMAP-GFCCVEGCSA-N 0 3 343.387 2.491 20 5 EEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759389 464182631 /nfs/dbraw/zinc/18/26/31/464182631.db2.gz KHAMURPMFUYONJ-GFCCVEGCSA-N 0 3 343.387 2.491 20 5 EEBDHN CC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000188925312 464397228 /nfs/dbraw/zinc/39/72/28/464397228.db2.gz WAFBCVAXNBGGJH-UHFFFAOYSA-N 0 3 348.447 2.086 20 5 EEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264620837 464398863 /nfs/dbraw/zinc/39/88/63/464398863.db2.gz RMGLWSREPOGXQH-CABCVRRESA-N 0 3 346.431 2.482 20 5 EEBDHN O=C([N-][C@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133539 464490126 /nfs/dbraw/zinc/49/01/26/464490126.db2.gz XKTYFPPSRVWKAA-UONOGXRCSA-N 0 3 339.342 2.430 20 5 EEBDHN O=C([N-][C@H]1CC[N@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133539 464490130 /nfs/dbraw/zinc/49/01/30/464490130.db2.gz XKTYFPPSRVWKAA-UONOGXRCSA-N 0 3 339.342 2.430 20 5 EEBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000294407949 464491933 /nfs/dbraw/zinc/49/19/33/464491933.db2.gz AMEYEAFUDZTUEV-LBPRGKRZSA-N 0 3 333.388 2.157 20 5 EEBDHN CC(C)NC(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272233823 464528824 /nfs/dbraw/zinc/52/88/24/464528824.db2.gz VCCFDQFFSQRFFM-CXAGYDPISA-N 0 3 346.431 2.263 20 5 EEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2(O)CCOCC2)c1 ZINC000285372555 464541233 /nfs/dbraw/zinc/54/12/33/464541233.db2.gz CEQRQNSUPAWZFD-UHFFFAOYSA-N 0 3 346.330 2.217 20 5 EEBDHN CCO[C@H]1C[C@](CO)(NCCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971498 464575204 /nfs/dbraw/zinc/57/52/04/464575204.db2.gz NTMNHHZOYFBRQN-DOTOQJQBSA-N 0 3 338.404 2.129 20 5 EEBDHN COc1cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1C ZINC000191246780 464806784 /nfs/dbraw/zinc/80/67/84/464806784.db2.gz FNEOSCKSOAESRW-CQSZACIVSA-N 0 3 335.404 2.468 20 5 EEBDHN Cc1cccc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286225308 464845913 /nfs/dbraw/zinc/84/59/13/464845913.db2.gz CIDDBLYSVUQVQI-GOOCMWNKSA-N 0 3 346.431 2.399 20 5 EEBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCOCC3)CC2)cc1F ZINC000276335065 464894720 /nfs/dbraw/zinc/89/47/20/464894720.db2.gz RTPROVWELBZLBE-UHFFFAOYSA-N 0 3 337.395 2.278 20 5 EEBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128795 464938128 /nfs/dbraw/zinc/93/81/28/464938128.db2.gz UMRKFYMETWLOFH-MWLCHTKSSA-N 0 3 348.359 2.166 20 5 EEBDHN CNC(=O)CC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559339 464960435 /nfs/dbraw/zinc/96/04/35/464960435.db2.gz TUGZQNNHUDZCAX-GDBMZVCRSA-N 0 3 335.404 2.009 20 5 EEBDHN CCOc1ccc([C@H](C)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295898720 464999254 /nfs/dbraw/zinc/99/92/54/464999254.db2.gz IHVAYGVMELNKMV-ZDUSSCGKSA-N 0 3 337.420 2.101 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000282925268 465004605 /nfs/dbraw/zinc/00/46/05/465004605.db2.gz WROVMWGMCRZXMT-WFASDCNBSA-N 0 3 335.404 2.406 20 5 EEBDHN CC[C@H](C)N[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000359566986 465459738 /nfs/dbraw/zinc/45/97/38/465459738.db2.gz WFEODCMMPVDROP-JQWIXIFHSA-N 0 3 349.391 2.089 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339762093 465495466 /nfs/dbraw/zinc/49/54/66/465495466.db2.gz IUBHFAWYAYBADF-IRXDYDNUSA-N 0 3 336.388 2.013 20 5 EEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000353093045 465632557 /nfs/dbraw/zinc/63/25/57/465632557.db2.gz RXMKBYMLVKKZAA-GFCCVEGCSA-N 0 3 343.387 2.273 20 5 EEBDHN CCN1CCCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348683240 465740985 /nfs/dbraw/zinc/74/09/85/465740985.db2.gz OFXLVAUPXAWQDI-INIZCTEOSA-N 0 3 349.435 2.180 20 5 EEBDHN C[C@H]1CN(C)C[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253820 465865333 /nfs/dbraw/zinc/86/53/33/465865333.db2.gz USKVEPOSFGAIBK-NWDGAFQWSA-N 0 3 331.376 2.298 20 5 EEBDHN C[C@@H]1CN(C)C[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253822 465865417 /nfs/dbraw/zinc/86/54/17/465865417.db2.gz USKVEPOSFGAIBK-VXGBXAGGSA-N 0 3 331.376 2.298 20 5 EEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345668315 465890166 /nfs/dbraw/zinc/89/01/66/465890166.db2.gz SGAMTCHLEOELCS-GFCCVEGCSA-N 0 3 328.372 2.309 20 5 EEBDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000371626979 465908191 /nfs/dbraw/zinc/90/81/91/465908191.db2.gz HKRAXNYHQLRGGQ-CQSZACIVSA-N 0 3 340.383 2.062 20 5 EEBDHN CN(C)[C@@H]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861652 466048408 /nfs/dbraw/zinc/04/84/08/466048408.db2.gz DUROEIABPCFHOU-NWDGAFQWSA-N 0 3 341.433 2.283 20 5 EEBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361658306 466183354 /nfs/dbraw/zinc/18/33/54/466183354.db2.gz FKTQPQXOSPVKOX-SWLSCSKDSA-N 0 3 330.388 2.056 20 5 EEBDHN CCN1CCC(N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000332310926 466501784 /nfs/dbraw/zinc/50/17/84/466501784.db2.gz XLXRLWHVUFISPW-UHFFFAOYSA-N 0 3 331.376 2.027 20 5 EEBDHN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362148281 466588667 /nfs/dbraw/zinc/58/86/67/466588667.db2.gz ISARMKMECOADIK-SWLSCSKDSA-N 0 3 335.404 2.331 20 5 EEBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192769 466740031 /nfs/dbraw/zinc/74/00/31/466740031.db2.gz XWVPVEGWIUHOEN-DOMZBBRYSA-N 0 3 339.779 2.344 20 5 EEBDHN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H](N)c1ccccc1 ZINC000423823540 466858526 /nfs/dbraw/zinc/85/85/26/466858526.db2.gz IETUEHCKJKASHV-SJCJKPOMSA-N 0 3 340.383 2.211 20 5 EEBDHN CCc1ccccc1[C@H](N)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423982688 466936510 /nfs/dbraw/zinc/93/65/10/466936510.db2.gz RYAIFUHAFQRNTN-OAHLLOKOSA-N 0 3 342.399 2.385 20 5 EEBDHN Cc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709878 466974734 /nfs/dbraw/zinc/97/47/34/466974734.db2.gz RVTGAQBOCIGCGN-SJLPKXTDSA-N 0 3 346.475 2.361 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186953 467034510 /nfs/dbraw/zinc/03/45/10/467034510.db2.gz TWMZBRMYOGDVBN-IAOMBJDPSA-N 0 3 329.400 2.297 20 5 EEBDHN C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000413253000 467197611 /nfs/dbraw/zinc/19/76/11/467197611.db2.gz XYIDLDGJKAUGQI-ZDUSSCGKSA-N 0 3 344.415 2.424 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000433562553 467339599 /nfs/dbraw/zinc/33/95/99/467339599.db2.gz AZBQEAWSDZMXKG-KRWDZBQOSA-N 0 3 346.431 2.453 20 5 EEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000434704760 467421891 /nfs/dbraw/zinc/42/18/91/467421891.db2.gz ZHDIUWMSSOSAPS-MXWKQRLJSA-N 0 3 341.795 2.224 20 5 EEBDHN CC(C)NC(=O)c1ccc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420633545 467438291 /nfs/dbraw/zinc/43/82/91/467438291.db2.gz JLDSBDLJUJXUOO-CQSZACIVSA-N 0 3 334.420 2.263 20 5 EEBDHN CNc1nc(C(=O)NCC(C)(C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000454291162 467581987 /nfs/dbraw/zinc/58/19/87/467581987.db2.gz ANHHHMRMKFAOMY-UHFFFAOYSA-N 0 3 335.408 2.026 20 5 EEBDHN COc1cc(NC[C@@H]2CCCN2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450587972 467874563 /nfs/dbraw/zinc/87/45/63/467874563.db2.gz AMWJRLQBXCJSFK-NSHDSACASA-N 0 3 327.356 2.001 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc3c(c2)COC3)c1 ZINC000583626025 468730721 /nfs/dbraw/zinc/73/07/21/468730721.db2.gz BPLJHDPRYZEEAS-QGZVFWFLSA-N 0 3 344.367 2.155 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598341983 468836802 /nfs/dbraw/zinc/83/68/02/468836802.db2.gz JTDSMLZFIVTPJX-JTQLQIEISA-N 0 3 343.330 2.410 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CC3(F)F)CC2)c1 ZINC000593076551 468861451 /nfs/dbraw/zinc/86/14/51/468861451.db2.gz LAOUXSDZPFWRQA-CYBMUJFWSA-N 0 3 342.342 2.456 20 5 EEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595473019 468866393 /nfs/dbraw/zinc/86/63/93/468866393.db2.gz SLSGEGJHNIUTOZ-INIZCTEOSA-N 0 3 337.395 2.421 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CCCCC1 ZINC000593111048 468874842 /nfs/dbraw/zinc/87/48/42/468874842.db2.gz BUSKYQHDPHKDKU-CQSZACIVSA-N 0 3 334.420 2.340 20 5 EEBDHN CC[C@@H]1CCCCN1CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598596650 468927173 /nfs/dbraw/zinc/92/71/73/468927173.db2.gz RHFUJGZQXUVNTA-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC(F)(F)C2)cc1 ZINC000572953868 469026931 /nfs/dbraw/zinc/02/69/31/469026931.db2.gz ZIKREOIIGFEMCG-NSHDSACASA-N 0 3 348.371 2.394 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2c1CCNC2 ZINC000595931689 469088864 /nfs/dbraw/zinc/08/88/64/469088864.db2.gz KBCDNGXFYXTHGB-UHFFFAOYSA-N 0 3 341.367 2.179 20 5 EEBDHN Cc1c(NC(=O)CCN2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000611009316 469138527 /nfs/dbraw/zinc/13/85/27/469138527.db2.gz YEIHYCTZTNTYNG-UHFFFAOYSA-N 0 3 329.360 2.013 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000619491163 469623957 /nfs/dbraw/zinc/62/39/57/469623957.db2.gz OQAFFPBCLLZHGE-CHWSQXEVSA-N 0 3 339.465 2.136 20 5 EEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCN(CC2CCC2)CC1 ZINC000619868426 469691277 /nfs/dbraw/zinc/69/12/77/469691277.db2.gz AZHIABCQOFIHQP-UHFFFAOYSA-N 0 3 347.415 2.308 20 5 EEBDHN CC[C@@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369679 470008237 /nfs/dbraw/zinc/00/82/37/470008237.db2.gz WBJMTHOEPFXNDK-DOTOQJQBSA-N 0 3 330.388 2.162 20 5 EEBDHN CC(C)OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802818 528028077 /nfs/dbraw/zinc/02/80/77/528028077.db2.gz RGCPNKXQTAWCNJ-OAHLLOKOSA-N 0 3 338.404 2.224 20 5 EEBDHN CCOc1ccc([C@H](C)NCCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000179418170 528605904 /nfs/dbraw/zinc/60/59/04/528605904.db2.gz YLOWSORMNXBIST-LBPRGKRZSA-N 0 3 337.376 2.486 20 5 EEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCN2CCc3sccc3C2)cc1 ZINC000776273951 577456237 /nfs/dbraw/zinc/45/62/37/577456237.db2.gz BSFMSHKXMWYPKJ-INIZCTEOSA-N 0 3 347.440 2.338 20 5 EEBDHN Cc1noc([C@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579507 577463071 /nfs/dbraw/zinc/46/30/71/577463071.db2.gz MCACGCIJNKJHOL-DZGCQCFKSA-N 0 3 332.360 2.199 20 5 EEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](C)(O)c1ccco1 ZINC000766180832 577514324 /nfs/dbraw/zinc/51/43/24/577514324.db2.gz ANNOGTBBANUVEY-YVEFUNNKSA-N 0 3 347.371 2.402 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000742242568 577869844 /nfs/dbraw/zinc/86/98/44/577869844.db2.gz YFFRJJAOLWUTFB-CQSZACIVSA-N 0 3 346.431 2.409 20 5 EEBDHN CN(C)CCOc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000748735478 577966211 /nfs/dbraw/zinc/96/62/11/577966211.db2.gz IVNQZBUOTVZMFR-UHFFFAOYSA-N 0 3 344.371 2.370 20 5 EEBDHN CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(CC)CC ZINC000735990325 578176555 /nfs/dbraw/zinc/17/65/55/578176555.db2.gz BISNDNXJULMUGM-KRWDZBQOSA-N 0 3 348.447 2.364 20 5 EEBDHN CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821189485 599379083 /nfs/dbraw/zinc/37/90/83/599379083.db2.gz MTAXYGAWBMTZGL-LLVKDONJSA-N 0 3 348.411 2.092 20 5 EEBDHN CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821189485 599379086 /nfs/dbraw/zinc/37/90/86/599379086.db2.gz MTAXYGAWBMTZGL-LLVKDONJSA-N 0 3 348.411 2.092 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821581489 606473843 /nfs/dbraw/zinc/47/38/43/606473843.db2.gz MONWXCBXQCHASO-VXGBXAGGSA-N 0 3 331.380 2.060 20 5 EEBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821581489 606473847 /nfs/dbraw/zinc/47/38/47/606473847.db2.gz MONWXCBXQCHASO-VXGBXAGGSA-N 0 3 331.380 2.060 20 5 EEBDHN Cc1nc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001020809956 675507433 /nfs/dbraw/zinc/50/74/33/675507433.db2.gz PVKVRQZSQQGCIA-HDJSIYSDSA-N 0 3 344.371 2.250 20 5 EEBDHN COc1cc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000178860637 681255256 /nfs/dbraw/zinc/25/52/56/681255256.db2.gz NXNLDKAWDXQHLM-MRXNPFEDSA-N 0 3 332.356 2.474 20 5 EEBDHN Cc1cc(F)cc(C(=O)NC[C@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC000877343457 1199908742 /nfs/dbraw/zinc/90/87/42/1199908742.db2.gz YELGFKCSEXADIY-OAHLLOKOSA-N 0 3 343.358 2.487 20 5 EEBDHN CCCc1[nH]ccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132686552 1199927566 /nfs/dbraw/zinc/92/75/66/1199927566.db2.gz MTLICNHOGALAKB-UHFFFAOYSA-N 0 3 330.388 2.395 20 5 EEBDHN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813100675 1201095588 /nfs/dbraw/zinc/09/55/88/1201095588.db2.gz VGAQWCNRGWVFPE-UONOGXRCSA-N 0 3 349.387 2.447 20 5 EEBDHN CC(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104188 1201097343 /nfs/dbraw/zinc/09/73/43/1201097343.db2.gz XRCJPNWHXQCXJP-ZCFIWIBFSA-N 0 3 333.094 2.179 20 5 EEBDHN CC(COC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111435 1201123360 /nfs/dbraw/zinc/12/33/60/1201123360.db2.gz HFLIOBOWTHFUOB-ZJUUUORDSA-N 0 3 344.364 2.094 20 5 EEBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801857156 1236301868 /nfs/dbraw/zinc/30/18/68/1236301868.db2.gz CUNDWMOWJAXLOH-UHFFFAOYSA-N 0 3 338.383 2.263 20 5 EEBDHN CN(CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097102655 1243702380 /nfs/dbraw/zinc/70/23/80/1243702380.db2.gz WJYNVDIYEDZQAL-JOCQHMNTSA-N 0 3 349.435 2.027 20 5 EEBDHN CCCN(CCNC(=O)CN(CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001101151929 1245454920 /nfs/dbraw/zinc/45/49/20/1245454920.db2.gz HVFWTGARYIKYFE-UHFFFAOYSA-N 0 3 336.436 2.269 20 5 EEBDHN CC(COC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000851036234 1277447676 /nfs/dbraw/zinc/44/76/76/1277447676.db2.gz GPWWRJQEKVUGIW-LLVKDONJSA-N 0 3 339.344 2.229 20 5 EEBDHN CC(C)c1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)on1 ZINC001134754563 1278019045 /nfs/dbraw/zinc/01/90/45/1278019045.db2.gz UFTVOTAKBMUJDN-UHFFFAOYSA-N 0 3 332.360 2.226 20 5 EEBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3)C[C@H]1N2C ZINC001226843136 1301579590 /nfs/dbraw/zinc/57/95/90/1301579590.db2.gz GQHVCLWTIFBRML-GUDXXQAFSA-N 0 3 334.372 2.449 20 5 EEBDHN Cc1ccnc(NC2(CNC(=O)CN(C)C(C)C)CCC2)c1[N+](=O)[O-] ZINC001111815391 1303932696 /nfs/dbraw/zinc/93/26/96/1303932696.db2.gz HBKVBRPPZWPECD-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN CN(CCCNC(=O)c1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234560625 1304968192 /nfs/dbraw/zinc/96/81/92/1304968192.db2.gz QJSJETFXGPWILW-UHFFFAOYSA-N 0 3 334.401 2.303 20 5 EEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264808 1310249366 /nfs/dbraw/zinc/24/93/66/1310249366.db2.gz WWWRSYFUPFURJS-GRYCIOLGSA-N 0 3 332.404 2.380 20 5 EEBDHN Cc1ncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])s1 ZINC001155474520 1317612816 /nfs/dbraw/zinc/61/28/16/1317612816.db2.gz RUFKNVJDXFWDAB-UHFFFAOYSA-N 0 3 334.401 2.269 20 5 EEBDHN COc1cc(N2CCC(NCc3cn(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC001256082266 1318641509 /nfs/dbraw/zinc/64/15/09/1318641509.db2.gz DLMOMJZTXXKBJA-UHFFFAOYSA-N 0 3 345.403 2.096 20 5 EEBDHN COc1cc(N2CCC(NCc3ccncn3)CC2)ccc1[N+](=O)[O-] ZINC001256087280 1318644973 /nfs/dbraw/zinc/64/49/73/1318644973.db2.gz VIISOYAAXXAALV-UHFFFAOYSA-N 0 3 343.387 2.152 20 5 EEBDHN COc1cc(N2CCC(N(C3CC3)C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256100778 1318647458 /nfs/dbraw/zinc/64/74/58/1318647458.db2.gz OTSKDPFWMNSEFB-UHFFFAOYSA-N 0 3 347.415 2.435 20 5 EEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@H](CN3CCCC3)C2)n1 ZINC001158310311 1319166976 /nfs/dbraw/zinc/16/69/76/1319166976.db2.gz ZCMADUJVMLQDPJ-LBPRGKRZSA-N 0 3 340.811 2.253 20 5 EEBDHN NCc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160338361 1320138885 /nfs/dbraw/zinc/13/88/85/1320138885.db2.gz YOEAJGUONYJGGK-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC001309404797 1331628175 /nfs/dbraw/zinc/62/81/75/1331628175.db2.gz CFGXZXOWGIUIDA-UHFFFAOYSA-N 0 3 347.412 2.051 20 5 EEBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC001309404797 1331628177 /nfs/dbraw/zinc/62/81/77/1331628177.db2.gz CFGXZXOWGIUIDA-UHFFFAOYSA-N 0 3 347.412 2.051 20 5 EEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001310519173 1331694210 /nfs/dbraw/zinc/69/42/10/1331694210.db2.gz NFLNPJJVFPWFGU-AWEZNQCLSA-N 0 3 343.387 2.145 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001100203862 1338157484 /nfs/dbraw/zinc/15/74/84/1338157484.db2.gz JRKXNCVLWRBURZ-UHFFFAOYSA-N 0 3 340.399 2.017 20 5 EEBDHN Cc1cc(N[C@@H](C)[C@H]2CN(C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266266 1338475851 /nfs/dbraw/zinc/47/58/51/1338475851.db2.gz JEEUNPSJGFFSHW-SUMWQHHRSA-N 0 3 343.431 2.498 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581029097 1344582981 /nfs/dbraw/zinc/58/29/81/1344582981.db2.gz RNYOXKDDMRMYGN-UHFFFAOYSA-N 0 3 345.407 2.227 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581029097 1344582984 /nfs/dbraw/zinc/58/29/84/1344582984.db2.gz RNYOXKDDMRMYGN-UHFFFAOYSA-N 0 3 345.407 2.227 20 5 EEBDHN Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581029097 1344582986 /nfs/dbraw/zinc/58/29/86/1344582986.db2.gz RNYOXKDDMRMYGN-UHFFFAOYSA-N 0 3 345.407 2.227 20 5 EEBDHN Cc1cc(NCC[N@H+]2CCC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581029097 1344582988 /nfs/dbraw/zinc/58/29/88/1344582988.db2.gz RNYOXKDDMRMYGN-UHFFFAOYSA-N 0 3 345.407 2.227 20 5 EEBDHN C[N@H+](CCC1CCOCC1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604739783 1350995255 /nfs/dbraw/zinc/99/52/55/1350995255.db2.gz HQCGYTNTWJAKKZ-UHFFFAOYSA-N 0 3 346.391 2.023 20 5 EEBDHN C[N@@H+](CCC1CCOCC1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604739783 1350995256 /nfs/dbraw/zinc/99/52/56/1350995256.db2.gz HQCGYTNTWJAKKZ-UHFFFAOYSA-N 0 3 346.391 2.023 20 5 EEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncoc1C ZINC001754036370 1406817230 /nfs/dbraw/zinc/81/72/30/1406817230.db2.gz OOJWMISRJFNTTL-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN COCC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035144298 783893046 /nfs/dbraw/zinc/89/30/46/783893046.db2.gz PGWKEZBPEJCLDY-UHFFFAOYSA-N 0 3 347.415 2.056 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1coc(CC2CC2)n1 ZINC001136036805 785031080 /nfs/dbraw/zinc/03/10/80/785031080.db2.gz XSJBRHAQYKHHCK-UHFFFAOYSA-N 0 3 344.371 2.055 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000820885334 786514091 /nfs/dbraw/zinc/51/40/91/786514091.db2.gz FVBUPODIRQKRRG-HNNXBMFYSA-N 0 3 347.415 2.195 20 5 EEBDHN CC1(C)CCN(CC(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])C1 ZINC001107514284 787486537 /nfs/dbraw/zinc/48/65/37/787486537.db2.gz ZVRUWWZNNHANKQ-WAYWQWQTSA-N 0 3 346.431 2.411 20 5 EEBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845669480 789915277 /nfs/dbraw/zinc/91/52/77/789915277.db2.gz JUPCCJBMXSSAJO-NSHDSACASA-N 0 3 336.344 2.007 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001094622162 796494578 /nfs/dbraw/zinc/49/45/78/796494578.db2.gz LRQDCVPVJAWMKX-UHFFFAOYSA-N 0 3 334.420 2.306 20 5 EEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CN(C)C(C)C ZINC001106779212 796522185 /nfs/dbraw/zinc/52/21/85/796522185.db2.gz VGHWNUAQKYUZLB-UHFFFAOYSA-N 0 3 340.399 2.335 20 5 EEBDHN CCN(CC)CC(=O)N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001095228637 797551915 /nfs/dbraw/zinc/55/19/15/797551915.db2.gz NZTQNDLENFXMJP-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C=C1CCC1 ZINC001178174889 799320194 /nfs/dbraw/zinc/32/01/94/799320194.db2.gz AWOGEMPFVSFSDY-UHFFFAOYSA-N 0 3 349.435 2.205 20 5 EEBDHN Cc1ccc2c(ccnc2NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168735269 801936005 /nfs/dbraw/zinc/93/60/05/801936005.db2.gz LDBYIPZGQIVCOD-UHFFFAOYSA-N 0 3 328.376 2.045 20 5 EEBDHN CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)CN1CCCC1 ZINC001109454440 805490989 /nfs/dbraw/zinc/49/09/89/805490989.db2.gz AADOEDGGOUMFKZ-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN Cc1onc(C2CC2)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131436950 812846647 /nfs/dbraw/zinc/84/66/47/812846647.db2.gz XXZVWTZSBCZBDG-UHFFFAOYSA-N 0 3 344.371 2.288 20 5 EEBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C1CC1)C1CC1 ZINC000050989225 214072899 /nfs/dbraw/zinc/07/28/99/214072899.db2.gz NCZJAPLIVFWVDS-UHFFFAOYSA-N 0 3 347.371 2.382 20 5 EEBDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186795257 529902898 /nfs/dbraw/zinc/90/28/98/529902898.db2.gz XHYJUJKHTQYBGU-UHFFFAOYSA-N 0 3 340.811 2.213 20 5 EEBDHN N[C@H](CC1CCCCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422936842 240299513 /nfs/dbraw/zinc/29/95/13/240299513.db2.gz MZXYDCRJPGIZGU-CQSZACIVSA-N 0 3 334.420 2.421 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC[C@@H]2C2CC2)c1 ZINC000451650523 243190636 /nfs/dbraw/zinc/19/06/36/243190636.db2.gz UTBDCOIDUULUNA-GOEBONIOSA-N 0 3 338.429 2.162 20 5 EEBDHN C[C@H]1C[C@H](O)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065095 243340909 /nfs/dbraw/zinc/34/09/09/243340909.db2.gz BHWWJSZDPJWYMZ-WFASDCNBSA-N 0 3 331.372 2.495 20 5 EEBDHN C[C@H](Cc1cccc(F)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000459758451 245238596 /nfs/dbraw/zinc/23/85/96/245238596.db2.gz IAVUPVGMXACRMY-CYBMUJFWSA-N 0 3 333.363 2.459 20 5 EEBDHN CN(C)CCOC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000491828061 246170342 /nfs/dbraw/zinc/17/03/42/246170342.db2.gz MOEWRDHNOICXFU-BQYQJAHWSA-N 0 3 347.415 2.177 20 5 EEBDHN CN(C)[C@@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094781 246296890 /nfs/dbraw/zinc/29/68/90/246296890.db2.gz KROYPRVTWHEKOV-MWWKQMNYSA-N 0 3 335.429 2.162 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000453359938 285144621 /nfs/dbraw/zinc/14/46/21/285144621.db2.gz UZOOLJDLIOIVTO-SOLBZPMBSA-N 0 3 331.416 2.425 20 5 EEBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000311094641 285179599 /nfs/dbraw/zinc/17/95/99/285179599.db2.gz ZNKIXGZZHMLBER-HOTGVXAUSA-N 0 3 339.399 2.343 20 5 EEBDHN Cc1nn(C)c(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC000267063112 256022942 /nfs/dbraw/zinc/02/29/42/256022942.db2.gz MMPJVTIBQANHLC-UHFFFAOYSA-N 0 3 342.359 2.415 20 5 EEBDHN CN(C)[C@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000267214619 256038424 /nfs/dbraw/zinc/03/84/24/256038424.db2.gz HDHMWRYFYHJIDU-AWEZNQCLSA-N 0 3 343.836 2.415 20 5 EEBDHN COc1ccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984920 256102353 /nfs/dbraw/zinc/10/23/53/256102353.db2.gz POHSDDQSKRCERY-WCQYABFASA-N 0 3 348.403 2.028 20 5 EEBDHN CN1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268161920 256120911 /nfs/dbraw/zinc/12/09/11/256120911.db2.gz QOAXNPFTUQQPQF-UHFFFAOYSA-N 0 3 326.784 2.095 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)CC ZINC000271185924 256217635 /nfs/dbraw/zinc/21/76/35/256217635.db2.gz WPWWTMXJYJIMSH-GFCCVEGCSA-N 0 3 346.474 2.490 20 5 EEBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163029065 533350586 /nfs/dbraw/zinc/35/05/86/533350586.db2.gz OBAPXLCYBUUNFU-NXEZZACHSA-N 0 3 327.768 2.201 20 5 EEBDHN CN(C)C(=O)C(C)(C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114458036 292231294 /nfs/dbraw/zinc/23/12/94/292231294.db2.gz ZUVWECYJPXBLAO-UHFFFAOYSA-N 0 3 346.387 2.249 20 5 EEBDHN CC(C)OCCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000081997087 159159265 /nfs/dbraw/zinc/15/92/65/159159265.db2.gz UWFKSEJITVMROJ-UHFFFAOYSA-N 0 3 341.433 2.276 20 5 EEBDHN CCOC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248373100 160342508 /nfs/dbraw/zinc/34/25/08/160342508.db2.gz GGLVZAUHKZEUGD-LSDHHAIUSA-N 0 3 338.404 2.083 20 5 EEBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000346405415 161369567 /nfs/dbraw/zinc/36/95/67/161369567.db2.gz ZGYATOUEIBDSQJ-OAHLLOKOSA-N 0 3 330.388 2.274 20 5 EEBDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352509755 162164826 /nfs/dbraw/zinc/16/48/26/162164826.db2.gz HCCQRZNQAJTGJX-ZDUSSCGKSA-N 0 3 341.433 2.056 20 5 EEBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354920951 163017851 /nfs/dbraw/zinc/01/78/51/163017851.db2.gz PGTJNRLBZDWLLH-SNVBAGLBSA-N 0 3 337.767 2.062 20 5 EEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000356305877 163399759 /nfs/dbraw/zinc/39/97/59/163399759.db2.gz WEFYMEQWVKLKHP-KRWDZBQOSA-N 0 3 335.379 2.221 20 5 EEBDHN O=C(N1CC[C@H](N2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368093313 166049870 /nfs/dbraw/zinc/04/98/70/166049870.db2.gz NIDFGBJQPHXUQA-AWEZNQCLSA-N 0 3 339.342 2.383 20 5 EEBDHN CC(=O)N[C@H](C)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360622364 164353770 /nfs/dbraw/zinc/35/37/70/164353770.db2.gz XITYYCJXBIAATD-CYBMUJFWSA-N 0 3 335.404 2.210 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000369068966 166183158 /nfs/dbraw/zinc/18/31/58/166183158.db2.gz YFMKNWHEKOPTRU-GFCCVEGCSA-N 0 3 333.388 2.350 20 5 EEBDHN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1=CCN(C)CC1 ZINC000272768938 269018398 /nfs/dbraw/zinc/01/83/98/269018398.db2.gz QKHCPFDNGGLPTF-NSHDSACASA-N 0 3 328.372 2.456 20 5 EEBDHN O=c1ccn(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278510299 269235666 /nfs/dbraw/zinc/23/56/66/269235666.db2.gz DZOYRFIMMNRSLN-MRXNPFEDSA-N 0 3 343.383 2.048 20 5 EEBDHN COc1ccc(CN2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278705246 269241600 /nfs/dbraw/zinc/24/16/00/269241600.db2.gz QQGLSCPKNSTDTH-AWEZNQCLSA-N 0 3 349.431 2.289 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286904984 274917568 /nfs/dbraw/zinc/91/75/68/274917568.db2.gz COFRYQOXINUJIL-IUODEOHRSA-N 0 3 333.388 2.302 20 5 EEBDHN COc1cc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000424069839 277798567 /nfs/dbraw/zinc/79/85/67/277798567.db2.gz CMJBDTZAXBMFQH-AWEZNQCLSA-N 0 3 341.367 2.442 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752883 278035699 /nfs/dbraw/zinc/03/56/99/278035699.db2.gz YPCBXIFATSSGSG-QJPTWQEYSA-N 0 3 335.433 2.471 20 5 EEBDHN CS[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1N(C)C ZINC000340742146 278168245 /nfs/dbraw/zinc/16/82/45/278168245.db2.gz KHNMKIRQIJZANY-OLZOCXBDSA-N 0 3 349.416 2.127 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C(C)C)CC3)CC2)n1 ZINC000270497746 281010602 /nfs/dbraw/zinc/01/06/02/281010602.db2.gz SWUKLJKKXCGSTQ-UHFFFAOYSA-N 0 3 347.463 2.293 20 5 EEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296803235 294071121 /nfs/dbraw/zinc/07/11/21/294071121.db2.gz UKYQTHXSSJTWEV-NSHDSACASA-N 0 3 332.316 2.016 20 5 EEBDHN COC(=O)c1cnc(N[C@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302753303 311548030 /nfs/dbraw/zinc/54/80/30/311548030.db2.gz HVMXIEZKRDBTKC-GFCCVEGCSA-N 0 3 336.392 2.453 20 5 EEBDHN CNc1nc(C(=O)Nc2ccc(CN(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000412569893 312688411 /nfs/dbraw/zinc/68/84/11/312688411.db2.gz HRBRWCIFVSGBIJ-UHFFFAOYSA-N 0 3 347.350 2.485 20 5 EEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416475806 313232559 /nfs/dbraw/zinc/23/25/59/313232559.db2.gz VRCZCWUOSJOMCO-CYBMUJFWSA-N 0 3 343.449 2.220 20 5 EEBDHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCN1C ZINC000421017073 314027284 /nfs/dbraw/zinc/02/72/84/314027284.db2.gz YZTSRHUQVLYLTL-AWEZNQCLSA-N 0 3 331.376 2.171 20 5 EEBDHN NC(=O)c1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439131448 315069208 /nfs/dbraw/zinc/06/92/08/315069208.db2.gz ODDUFMHZIZBHTF-AWEZNQCLSA-N 0 3 340.383 2.380 20 5 EEBDHN CN1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543393885 318157716 /nfs/dbraw/zinc/15/77/16/318157716.db2.gz APHQOLDNXHHNRN-UHFFFAOYSA-N 0 3 327.812 2.137 20 5 EEBDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543599337 318163370 /nfs/dbraw/zinc/16/33/70/318163370.db2.gz UPEDOWWLXITLEW-OAHLLOKOSA-N 0 3 326.418 2.393 20 5 EEBDHN Cc1cc(NCCN2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543959346 318177593 /nfs/dbraw/zinc/17/75/93/318177593.db2.gz QNJMTEAGLNSTGA-ZDUSSCGKSA-N 0 3 330.388 2.006 20 5 EEBDHN CC(C)CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182004317 323361920 /nfs/dbraw/zinc/36/19/20/323361920.db2.gz VQJSBGGDEYSAQY-LSDHHAIUSA-N 0 3 338.404 2.081 20 5 EEBDHN Cc1c(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862436 465057226 /nfs/dbraw/zinc/05/72/26/465057226.db2.gz JGWFZLPTPCUXOO-KBPBESRZSA-N 0 3 326.418 2.349 20 5 EEBDHN CCN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075802130 462758861 /nfs/dbraw/zinc/75/88/61/462758861.db2.gz BJLYDCMPSUBLTQ-UHFFFAOYSA-N 0 3 349.435 2.134 20 5 EEBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC000066044969 462847849 /nfs/dbraw/zinc/84/78/49/462847849.db2.gz CWYSDXUFZQQFKP-CYBMUJFWSA-N 0 3 330.388 2.150 20 5 EEBDHN CC[C@@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000133203475 462907756 /nfs/dbraw/zinc/90/77/56/462907756.db2.gz KCAHIDCEPDUQQC-MRXNPFEDSA-N 0 3 332.360 2.036 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1CN1CCOCC1 ZINC000092217926 462935666 /nfs/dbraw/zinc/93/56/66/462935666.db2.gz VNDUMGOMTHETNG-ZVVFDCPKSA-N 0 3 331.416 2.405 20 5 EEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133938031 462987773 /nfs/dbraw/zinc/98/77/73/462987773.db2.gz LMHRZZOZBFOFOV-GFCCVEGCSA-N 0 3 328.372 2.309 20 5 EEBDHN CCCNC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000050995554 463015097 /nfs/dbraw/zinc/01/50/97/463015097.db2.gz MPBYMGSZFGCWIE-AWEZNQCLSA-N 0 3 335.404 2.212 20 5 EEBDHN CC(=O)c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000052325948 463075727 /nfs/dbraw/zinc/07/57/27/463075727.db2.gz JPIWCSBXLWLVQR-UHFFFAOYSA-N 0 3 347.415 2.346 20 5 EEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000068352337 463126008 /nfs/dbraw/zinc/12/60/08/463126008.db2.gz CXTXOJNLKXFTKK-NXEZZACHSA-N 0 3 329.784 2.082 20 5 EEBDHN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057716178 463512994 /nfs/dbraw/zinc/51/29/94/463512994.db2.gz JGFZRTPKXJTPTG-ZDUSSCGKSA-N 0 3 334.420 2.386 20 5 EEBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H](N4CCCC4)C3)cc2N1 ZINC000170710247 463698659 /nfs/dbraw/zinc/69/86/59/463698659.db2.gz GPCUSRIMTIESQQ-ZDUSSCGKSA-N 0 3 330.388 2.154 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846953 463723120 /nfs/dbraw/zinc/72/31/20/463723120.db2.gz BDJRSKYCFZUOJW-BBRMVZONSA-N 0 3 346.431 2.261 20 5 EEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000276719220 463730958 /nfs/dbraw/zinc/73/09/58/463730958.db2.gz ZJQSEHLFFLGIIJ-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000185431278 463822259 /nfs/dbraw/zinc/82/22/59/463822259.db2.gz AQRYPXWFMPQPTO-LLVKDONJSA-N 0 3 338.383 2.310 20 5 EEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016466 463844898 /nfs/dbraw/zinc/84/48/98/463844898.db2.gz QMMZVXVQKHUVIN-GOEBONIOSA-N 0 3 333.388 2.031 20 5 EEBDHN CN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000269349877 463960923 /nfs/dbraw/zinc/96/09/23/463960923.db2.gz JGIQCYOFVBJPFT-UHFFFAOYSA-N 0 3 332.404 2.337 20 5 EEBDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399120 463992408 /nfs/dbraw/zinc/99/24/08/463992408.db2.gz RUSZIYXXHMLUDG-ZBFHGGJFSA-N 0 3 335.404 2.377 20 5 EEBDHN COc1ccc(OCCN2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292557570 464272886 /nfs/dbraw/zinc/27/28/86/464272886.db2.gz AUKSFPMXMBMCJB-MRXNPFEDSA-N 0 3 336.388 2.362 20 5 EEBDHN CC[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000271358243 464294011 /nfs/dbraw/zinc/29/40/11/464294011.db2.gz QOKDFPSHQGHLPM-LRDDRELGSA-N 0 3 330.388 2.198 20 5 EEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C1CC1 ZINC000181466144 464494146 /nfs/dbraw/zinc/49/41/46/464494146.db2.gz HJSKQIQLSNOQIO-SECBINFHSA-N 0 3 343.330 2.409 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000281674400 464543864 /nfs/dbraw/zinc/54/38/64/464543864.db2.gz UEOBEAWRZDURRS-HIFRSBDPSA-N 0 3 347.415 2.271 20 5 EEBDHN CN(C)C(=O)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182177552 464591737 /nfs/dbraw/zinc/59/17/37/464591737.db2.gz IOVOKUIBYXZPSR-UHFFFAOYSA-N 0 3 335.404 2.164 20 5 EEBDHN CS[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000272417430 464600706 /nfs/dbraw/zinc/60/07/06/464600706.db2.gz ZQYMUSMCPXKTCA-UONOGXRCSA-N 0 3 338.433 2.413 20 5 EEBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176200281 464719142 /nfs/dbraw/zinc/71/91/42/464719142.db2.gz YLYJIVOKEXVPFM-AWEZNQCLSA-N 0 3 343.387 2.142 20 5 EEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000295411365 464820835 /nfs/dbraw/zinc/82/08/35/464820835.db2.gz SLMSPRHHMPDMPM-LBPRGKRZSA-N 0 3 332.404 2.042 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN(CCc2ccccc2)[C@@H]2CCOC2)n1 ZINC000177148692 464943256 /nfs/dbraw/zinc/94/32/56/464943256.db2.gz GLOUXQGWGZTQBG-MRXNPFEDSA-N 0 3 330.388 2.125 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240476 464988403 /nfs/dbraw/zinc/98/84/03/464988403.db2.gz USSXWZUKSJLVMX-BONVTDFDSA-N 0 3 337.807 2.390 20 5 EEBDHN Cc1ccc(CN(C)C)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000177356555 464993854 /nfs/dbraw/zinc/99/38/54/464993854.db2.gz GOZFJGZRLXINRH-UHFFFAOYSA-N 0 3 331.376 2.190 20 5 EEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273684 465002219 /nfs/dbraw/zinc/00/22/19/465002219.db2.gz VTZLOWZWIKBUAL-LRDDRELGSA-N 0 3 331.416 2.471 20 5 EEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000282925255 465004783 /nfs/dbraw/zinc/00/47/83/465004783.db2.gz WROVMWGMCRZXMT-DOMZBBRYSA-N 0 3 335.404 2.406 20 5 EEBDHN Cc1cc(NCCN2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339691250 465447821 /nfs/dbraw/zinc/44/78/21/465447821.db2.gz METCVEYYYOSNND-UHFFFAOYSA-N 0 3 327.388 2.290 20 5 EEBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000359566987 465460304 /nfs/dbraw/zinc/46/03/04/465460304.db2.gz WFEODCMMPVDROP-PWSUYJOCSA-N 0 3 349.391 2.089 20 5 EEBDHN Cc1cc(N2C[C@@H](O)[C@@H](N(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954151 465509334 /nfs/dbraw/zinc/50/93/34/465509334.db2.gz JTOHWOIPXOPIKH-QWHCGFSZSA-N 0 3 333.310 2.033 20 5 EEBDHN Cc1ccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350074 465734390 /nfs/dbraw/zinc/73/43/90/465734390.db2.gz PIVDPROPVSYCKZ-HZPDHXFCSA-N 0 3 332.448 2.365 20 5 EEBDHN CCN1CCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447461 465890564 /nfs/dbraw/zinc/89/05/64/465890564.db2.gz MAMRQADXVNFXTP-SJORKVTESA-N 0 3 343.431 2.492 20 5 EEBDHN Cn1ccnc1[C@H](NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353455387 465896276 /nfs/dbraw/zinc/89/62/76/465896276.db2.gz PSOGXMKXSGVZFY-MRXNPFEDSA-N 0 3 329.404 2.102 20 5 EEBDHN C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357384482 465994788 /nfs/dbraw/zinc/99/47/88/465994788.db2.gz FGJVGVGVRBKZGJ-DZGCQCFKSA-N 0 3 334.420 2.386 20 5 EEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229216 466011429 /nfs/dbraw/zinc/01/14/29/466011429.db2.gz RROIBABDPILOCV-ZQIUZPCESA-N 0 3 331.416 2.326 20 5 EEBDHN CC(C)C[C@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000362828538 466055411 /nfs/dbraw/zinc/05/54/11/466055411.db2.gz UWJLMGUMJJVVIK-CQSZACIVSA-N 0 3 333.392 3.033 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367059734 466101850 /nfs/dbraw/zinc/10/18/50/466101850.db2.gz JZCVHHKCHVHGRH-JKSUJKDBSA-N 0 3 332.448 2.365 20 5 EEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C ZINC000357857833 466267976 /nfs/dbraw/zinc/26/79/76/466267976.db2.gz GNEJKVOUQIHGHE-XHDPSFHLSA-N 0 3 331.376 2.048 20 5 EEBDHN Cc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000350324813 466462880 /nfs/dbraw/zinc/46/28/80/466462880.db2.gz XVZJKQAOMSSPGM-UHFFFAOYSA-N 0 3 341.433 2.010 20 5 EEBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)cc1OC ZINC000354523135 466628376 /nfs/dbraw/zinc/62/83/76/466628376.db2.gz PMIZQXSMUGWCNO-ZDUSSCGKSA-N 0 3 347.375 2.117 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CN3CCC[C@@H]3CO1)CCC2 ZINC000365489592 466835760 /nfs/dbraw/zinc/83/57/60/466835760.db2.gz FWUVIUBWTDCMCY-JFIYKMOQSA-N 0 3 331.416 2.425 20 5 EEBDHN COC(=O)[C@H]1CN(C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000411908948 466930391 /nfs/dbraw/zinc/93/03/91/466930391.db2.gz FDAUJLBUTMPGLY-KBPBESRZSA-N 0 3 335.404 2.001 20 5 EEBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000377132154 467037510 /nfs/dbraw/zinc/03/75/10/467037510.db2.gz WPQUAAYOPGZPTG-PMPSAXMXSA-N 0 3 342.399 2.333 20 5 EEBDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000428244538 467215743 /nfs/dbraw/zinc/21/57/43/467215743.db2.gz ZCJYBMZNNOMGJK-CQSZACIVSA-N 0 3 334.420 2.338 20 5 EEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429318401 467324792 /nfs/dbraw/zinc/32/47/92/467324792.db2.gz RFSJDFDBGZJNNX-ZDUSSCGKSA-N 0 3 341.367 2.304 20 5 EEBDHN Cc1noc(C[C@@H](NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000429534142 467342821 /nfs/dbraw/zinc/34/28/21/467342821.db2.gz YZNDCWDGFGULQW-OAHLLOKOSA-N 0 3 342.359 2.056 20 5 EEBDHN CN(C)CCOC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434944168 467437650 /nfs/dbraw/zinc/43/76/50/467437650.db2.gz UNZJAXPVURBVCI-UHFFFAOYSA-N 0 3 328.800 2.190 20 5 EEBDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000420827525 467493084 /nfs/dbraw/zinc/49/30/84/467493084.db2.gz CFOREQVLMLXPFO-ZDUSSCGKSA-N 0 3 340.811 2.484 20 5 EEBDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000431705576 467534464 /nfs/dbraw/zinc/53/44/64/467534464.db2.gz RIKRFLBYMOCXFZ-WMLDXEAASA-N 0 3 346.387 2.265 20 5 EEBDHN CNc1nc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454963527 467626682 /nfs/dbraw/zinc/62/66/82/467626682.db2.gz UXFJDAUWHIYBCD-GFCCVEGCSA-N 0 3 349.435 2.272 20 5 EEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690143 467964768 /nfs/dbraw/zinc/96/47/68/467964768.db2.gz YQZAUMCCHXFPGZ-XGWLTEMNSA-N 0 3 335.404 2.371 20 5 EEBDHN COCCSCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488235697 468078273 /nfs/dbraw/zinc/07/82/73/468078273.db2.gz VRUSRCRLNSPCRB-CYBMUJFWSA-N 0 3 340.449 2.246 20 5 EEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195320 468508089 /nfs/dbraw/zinc/50/80/89/468508089.db2.gz FNZGYIOGDOVTAV-QWHCGFSZSA-N 0 3 347.371 2.070 20 5 EEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000582983851 468625609 /nfs/dbraw/zinc/62/56/09/468625609.db2.gz UIXJJXZVQCLVTN-HNNXBMFYSA-N 0 3 349.431 2.479 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2COCCN2)c2ccccc2)c1 ZINC000600712313 468628686 /nfs/dbraw/zinc/62/86/86/468628686.db2.gz WUZLXYNZBDOZOW-WMZOPIPTSA-N 0 3 327.384 2.262 20 5 EEBDHN COc1cccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597709977 468647412 /nfs/dbraw/zinc/64/74/12/468647412.db2.gz FOJUZSXWDKFSCH-KRWDZBQOSA-N 0 3 333.388 2.161 20 5 EEBDHN COC(=O)COc1ccc(CN[C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592379991 468686169 /nfs/dbraw/zinc/68/61/69/468686169.db2.gz GWNALFWYZOCGHV-PWSUYJOCSA-N 0 3 340.401 2.130 20 5 EEBDHN C[C@@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147436 468760368 /nfs/dbraw/zinc/76/03/68/468760368.db2.gz NIKOIDLFCDMLDD-CHWSQXEVSA-N 0 3 330.388 2.034 20 5 EEBDHN COc1ccc(OCCN2CCC([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000593083682 468864704 /nfs/dbraw/zinc/86/47/04/468864704.db2.gz LEAZZCSUBHTVKU-CYBMUJFWSA-N 0 3 338.404 2.323 20 5 EEBDHN COc1ccc(OCCN2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695850 468958973 /nfs/dbraw/zinc/95/89/73/468958973.db2.gz IHMHTMINKWPRLJ-DZGCQCFKSA-N 0 3 338.404 2.465 20 5 EEBDHN CN(CCN1CCCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000593515669 469012286 /nfs/dbraw/zinc/01/22/86/469012286.db2.gz HBQXANFAKPMNCI-UHFFFAOYSA-N 0 3 331.376 2.166 20 5 EEBDHN C[C@@H]1COCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610990609 469132493 /nfs/dbraw/zinc/13/24/93/469132493.db2.gz CNLWSIKBQQTPFU-GFCCVEGCSA-N 0 3 335.360 2.004 20 5 EEBDHN CN(C)CCOCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596185632 469192069 /nfs/dbraw/zinc/19/20/69/469192069.db2.gz ZDQNSYMWUZRFQZ-UHFFFAOYSA-N 0 3 332.198 2.347 20 5 EEBDHN C[C@H]1CN(CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589113790 469196639 /nfs/dbraw/zinc/19/66/39/469196639.db2.gz SRBIEHGEDSKSIV-RYUDHWBXSA-N 0 3 342.827 2.366 20 5 EEBDHN Cc1ccc(NC(=O)c2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000611218624 469196978 /nfs/dbraw/zinc/19/69/78/469196978.db2.gz JAQWZCKMSJGSLZ-UHFFFAOYSA-N 0 3 344.371 2.491 20 5 EEBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222679 469197864 /nfs/dbraw/zinc/19/78/64/469197864.db2.gz GDJWELBKXJLVGF-NSHDSACASA-N 0 3 326.356 2.110 20 5 EEBDHN COCCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599505952 469279555 /nfs/dbraw/zinc/27/95/55/469279555.db2.gz FKQUYBXGUOSHIX-HNNXBMFYSA-N 0 3 338.404 2.083 20 5 EEBDHN O=[N+]([O-])c1cccc(CN(C[C@@H]2CNc3ccnn3C2)C2CC2)c1 ZINC000619264729 469564075 /nfs/dbraw/zinc/56/40/75/469564075.db2.gz KNZOSEWOTSUICD-AWEZNQCLSA-N 0 3 327.388 2.498 20 5 EEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000619491164 469624149 /nfs/dbraw/zinc/62/41/49/469624149.db2.gz OQAFFPBCLLZHGE-OLZOCXBDSA-N 0 3 339.465 2.136 20 5 EEBDHN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000609620919 469949228 /nfs/dbraw/zinc/94/92/28/469949228.db2.gz CUYMQUUDYRWGJD-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2N)o1 ZINC000184335725 533883364 /nfs/dbraw/zinc/88/33/64/533883364.db2.gz GSPDBZSQLCCWFO-UHFFFAOYSA-N 0 3 346.387 2.282 20 5 EEBDHN CCN(CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000158971674 528278951 /nfs/dbraw/zinc/27/89/51/528278951.db2.gz HBCOCXRRACMTJB-CYBMUJFWSA-N 0 3 331.376 2.131 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493456472 535935917 /nfs/dbraw/zinc/93/59/17/535935917.db2.gz IRKPSWANZHVKQV-YVMONPNESA-N 0 3 329.360 2.005 20 5 EEBDHN C[C@@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000734004956 577269724 /nfs/dbraw/zinc/26/97/24/577269724.db2.gz NMSMLZNGPCVPTF-GOSISDBHSA-N 0 3 344.367 2.363 20 5 EEBDHN CCCCNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574560 577462859 /nfs/dbraw/zinc/46/28/59/577462859.db2.gz JCPQFTYHQKLJFC-KRWDZBQOSA-N 0 3 349.431 2.257 20 5 EEBDHN COC[C@H](Cc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847359 577508205 /nfs/dbraw/zinc/50/82/05/577508205.db2.gz BDDWJBWZNULATH-FUHWJXTLSA-N 0 3 330.384 2.476 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091837 606808779 /nfs/dbraw/zinc/80/87/79/606808779.db2.gz BFRJJJLCBXAKCC-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091837 606808781 /nfs/dbraw/zinc/80/87/81/606808781.db2.gz BFRJJJLCBXAKCC-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091837 606808783 /nfs/dbraw/zinc/80/87/83/606808783.db2.gz BFRJJJLCBXAKCC-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091837 606808784 /nfs/dbraw/zinc/80/87/84/606808784.db2.gz BFRJJJLCBXAKCC-LBPRGKRZSA-N 0 3 345.407 2.165 20 5 EEBDHN CC[C@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825147569 608552280 /nfs/dbraw/zinc/55/22/80/608552280.db2.gz JNCCECJQXZJIAI-AWEZNQCLSA-N 0 3 339.359 2.411 20 5 EEBDHN Cc1c(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000894395292 682801765 /nfs/dbraw/zinc/80/17/65/682801765.db2.gz CNVRHWBNYQHTJI-HOTGVXAUSA-N 0 3 332.404 2.281 20 5 EEBDHN Cc1cccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001019995952 683512154 /nfs/dbraw/zinc/51/21/54/683512154.db2.gz PMKCSAGTUHRDHV-SHTZXODSSA-N 0 3 340.383 2.349 20 5 EEBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000895487790 684617815 /nfs/dbraw/zinc/61/78/15/684617815.db2.gz JYCSCRCNCGWLIL-UHFFFAOYSA-N 0 3 325.368 2.316 20 5 EEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000027763325 694472215 /nfs/dbraw/zinc/47/22/15/694472215.db2.gz UIZBNCAULSUQMU-NSHDSACASA-N 0 3 336.348 2.107 20 5 EEBDHN CCc1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccn1C ZINC001133840230 1199111366 /nfs/dbraw/zinc/11/13/66/1199111366.db2.gz UEUZZQOKSMAZGU-UHFFFAOYSA-N 0 3 330.388 2.015 20 5 EEBDHN CN(C[C@H](O)Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649068 1199642842 /nfs/dbraw/zinc/64/28/42/1199642842.db2.gz IUSGUHYCRGLOSS-QZTJIDSGSA-N 0 3 330.384 2.164 20 5 EEBDHN CC(C)CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000825891205 1199710733 /nfs/dbraw/zinc/71/07/33/1199710733.db2.gz HGDKZRIOTTZFIW-KRWDZBQOSA-N 0 3 349.431 2.207 20 5 EEBDHN CC(COC(=O)c1ccc2cncc(Br)c2n1)[N+](=O)[O-] ZINC000870378311 1200644193 /nfs/dbraw/zinc/64/41/93/1200644193.db2.gz VLKGZUIOXYFYAC-SSDOTTSWSA-N 0 3 340.133 2.214 20 5 EEBDHN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)c1 ZINC000813100676 1201095785 /nfs/dbraw/zinc/09/57/85/1201095785.db2.gz VGAQWCNRGWVFPE-ZIAGYGMSSA-N 0 3 349.387 2.447 20 5 EEBDHN Cc1c(Br)cc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813102107 1201097801 /nfs/dbraw/zinc/09/78/01/1201097801.db2.gz NWOUXHBKBHKIKY-LURJTMIESA-N 0 3 347.121 2.488 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110624 1201121903 /nfs/dbraw/zinc/12/19/03/1201121903.db2.gz FWWJZXNZXHEVIB-LURJTMIESA-N 0 3 347.121 2.488 20 5 EEBDHN COc1ccc(OCCN2CCC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000879962048 1201325560 /nfs/dbraw/zinc/32/55/60/1201325560.db2.gz LPZWTEFCSXHVGN-ZDUSSCGKSA-N 0 3 338.404 2.465 20 5 EEBDHN C[C@](O)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000886026408 1202463902 /nfs/dbraw/zinc/46/39/02/1202463902.db2.gz WBRSYHDSEYWAQJ-HNNXBMFYSA-N 0 3 330.331 2.454 20 5 EEBDHN CS[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000935114757 1208097309 /nfs/dbraw/zinc/09/73/09/1208097309.db2.gz SUTIAFLPJRCQRV-KLHDSHLOSA-N 0 3 349.456 2.202 20 5 EEBDHN C[C@@H]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900912961 1234994684 /nfs/dbraw/zinc/99/46/84/1234994684.db2.gz PYRXNGABRUYZOM-SECBINFHSA-N 0 3 329.759 2.459 20 5 EEBDHN Cc1ccc(NCCN(C)C(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001101811160 1246206986 /nfs/dbraw/zinc/20/69/86/1246206986.db2.gz NNFUKTZUIHDCKB-UHFFFAOYSA-N 0 3 334.420 2.258 20 5 EEBDHN NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001226166882 1301282336 /nfs/dbraw/zinc/28/23/36/1301282336.db2.gz ZIYZKDOABJFZLI-OAHLLOKOSA-N 0 3 341.367 2.347 20 5 EEBDHN Cc1nc(NC2(CNC(=O)CN(C)C(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001111815419 1303933009 /nfs/dbraw/zinc/93/30/09/1303933009.db2.gz ICVAIKJNJKJREL-UHFFFAOYSA-N 0 3 349.435 2.089 20 5 EEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570892 1314502573 /nfs/dbraw/zinc/50/25/73/1314502573.db2.gz UPJCECQOWQDVCU-ORQFMDKSSA-N 0 3 329.400 2.393 20 5 EEBDHN Cc1nn(CN2CCC[C@@H]2[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617699 1315733920 /nfs/dbraw/zinc/73/39/20/1315733920.db2.gz RAFPTCJWNZXYQW-CZUORRHYSA-N 0 3 345.403 2.496 20 5 EEBDHN CC(C)COCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154963736 1317403102 /nfs/dbraw/zinc/40/31/02/1317403102.db2.gz AWQMVEKXYALNBR-UHFFFAOYSA-N 0 3 337.420 2.253 20 5 EEBDHN NCc1ccnn1-c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001155130591 1317468990 /nfs/dbraw/zinc/46/89/90/1317468990.db2.gz ZHXRIXSSIHAYKL-UHFFFAOYSA-N 0 3 330.735 2.350 20 5 EEBDHN O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23CNCCO3)nc2[nH]ccc21 ZINC001155826983 1317752134 /nfs/dbraw/zinc/75/21/34/1317752134.db2.gz XUYVCTBCCIHAOB-XJKSGUPXSA-N 0 3 331.376 2.184 20 5 EEBDHN Cc1cc(CN)nn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001156042724 1317848676 /nfs/dbraw/zinc/84/86/76/1317848676.db2.gz OPYMDIOOLJXRDH-UHFFFAOYSA-N 0 3 336.661 2.010 20 5 EEBDHN COc1cc(N2CCC(NCc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC001256083274 1318642211 /nfs/dbraw/zinc/64/22/11/1318642211.db2.gz ODFBFOGCLPIHDR-UHFFFAOYSA-N 0 3 345.403 2.096 20 5 EEBDHN CSCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163312782 1321094673 /nfs/dbraw/zinc/09/46/73/1321094673.db2.gz UKMSOXONUWXUBS-UHFFFAOYSA-N 0 3 337.445 2.334 20 5 EEBDHN COc1ccc(C[C@@H]2CCN2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001307526575 1331539922 /nfs/dbraw/zinc/53/99/22/1331539922.db2.gz VQRBOGGPCVHDGT-HNNXBMFYSA-N 0 3 330.388 2.425 20 5 EEBDHN CC(C)[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457381 1348991732 /nfs/dbraw/zinc/99/17/32/1348991732.db2.gz VDJVWWHNWOYICI-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457381 1348991736 /nfs/dbraw/zinc/99/17/36/1348991736.db2.gz VDJVWWHNWOYICI-CQSZACIVSA-N 0 3 345.407 2.307 20 5 EEBDHN CCN(CCC[NH+](CC)CC)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604284725 1350908680 /nfs/dbraw/zinc/90/86/80/1350908680.db2.gz GYIGKWQORHZKRI-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCN(CCC[NH+](CC)CC)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604284725 1350908684 /nfs/dbraw/zinc/90/86/84/1350908684.db2.gz GYIGKWQORHZKRI-UHFFFAOYSA-N 0 3 347.423 2.333 20 5 EEBDHN CCN(CC)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111811474 777113436 /nfs/dbraw/zinc/11/34/36/777113436.db2.gz WDPGKPXGJRFZBJ-UHFFFAOYSA-N 0 3 334.420 2.387 20 5 EEBDHN CCN(CC)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107203706 786393564 /nfs/dbraw/zinc/39/35/64/786393564.db2.gz ABOKYGFJSPXTSS-AATRIKPKSA-N 0 3 338.383 2.160 20 5 EEBDHN O=C(Cc1ccc(F)cc1F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127816166 787957722 /nfs/dbraw/zinc/95/77/22/787957722.db2.gz HKKLEOSSUGQGKZ-UHFFFAOYSA-N 0 3 349.337 2.322 20 5 EEBDHN Cc1cc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC000845873402 789971145 /nfs/dbraw/zinc/97/11/45/789971145.db2.gz TUVFPLXFDCSEHJ-BONVTDFDSA-N 0 3 338.291 2.451 20 5 EEBDHN CC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001168458686 795146477 /nfs/dbraw/zinc/14/64/77/795146477.db2.gz VSRXXTAEROSZGV-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CCCC[C@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173179761 797278593 /nfs/dbraw/zinc/27/85/93/797278593.db2.gz NXMCONQJYJERTL-PWSUYJOCSA-N 0 3 341.383 2.307 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110194413 798396217 /nfs/dbraw/zinc/39/62/17/798396217.db2.gz HVWXADORNNMMDZ-UHFFFAOYSA-N 0 3 343.387 2.238 20 5 EEBDHN Cc1[nH]cnc1CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110194295 798409331 /nfs/dbraw/zinc/40/93/31/798409331.db2.gz AOXYVZFEFNRARD-UHFFFAOYSA-N 0 3 343.387 2.238 20 5 EEBDHN CCN(C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110266082 801085905 /nfs/dbraw/zinc/08/59/05/801085905.db2.gz KQVLWTCALKTACD-UHFFFAOYSA-N 0 3 334.420 2.386 20 5 EEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001086373513 802845630 /nfs/dbraw/zinc/84/56/30/802845630.db2.gz AKDMXSMYIWCURJ-NNUKFRKNSA-N 0 3 328.372 2.221 20 5 EEBDHN O=[N+]([O-])c1cccc(OCCN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472317 807541216 /nfs/dbraw/zinc/54/12/16/807541216.db2.gz BCXNSQNZLBPTJD-MRXNPFEDSA-N 0 3 346.387 2.142 20 5 EEBDHN CNC(=O)c1ccc(N2CCC[C@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459938 290627652 /nfs/dbraw/zinc/62/76/52/290627652.db2.gz BAUHFIQBHBDRIU-HNNXBMFYSA-N 0 3 346.431 2.409 20 5 EEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178476799 232186194 /nfs/dbraw/zinc/18/61/94/232186194.db2.gz DCABYWQIFLPBJU-CYBMUJFWSA-N 0 3 339.823 2.402 20 5 EEBDHN Cc1ccc(NCCCNC(=O)[C@@]2(C)CCCCN2)c([N+](=O)[O-])c1 ZINC000180964982 234047196 /nfs/dbraw/zinc/04/71/96/234047196.db2.gz LIEWDQCXYKCRCU-QGZVFWFLSA-N 0 3 334.420 2.354 20 5 EEBDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130349432 223145954 /nfs/dbraw/zinc/14/59/54/223145954.db2.gz AIIOBXDICVJIQX-UHFFFAOYSA-N 0 3 331.376 2.060 20 5 EEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000236796737 242359615 /nfs/dbraw/zinc/35/96/15/242359615.db2.gz KZVHBHLPVKNAKP-INIZCTEOSA-N 0 3 335.404 2.100 20 5 EEBDHN CO[C@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760339 245240927 /nfs/dbraw/zinc/24/09/27/245240927.db2.gz MHPZZEYFQRIMEY-CVEARBPZSA-N 0 3 345.399 2.031 20 5 EEBDHN CCN(C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895833 217262127 /nfs/dbraw/zinc/26/21/27/217262127.db2.gz ZERKPHJPESNIMJ-UHFFFAOYSA-N 0 3 330.182 2.039 20 5 EEBDHN Cc1nn(C)c(NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000265141493 247241013 /nfs/dbraw/zinc/24/10/13/247241013.db2.gz QHPBPXFFVRIXOT-UHFFFAOYSA-N 0 3 333.392 2.189 20 5 EEBDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519634 248342376 /nfs/dbraw/zinc/34/23/76/248342376.db2.gz COCJKZXDCSQYFY-IAGOWNOFSA-N 0 3 330.388 2.298 20 5 EEBDHN COc1ccc(OCCN2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000266534426 248349406 /nfs/dbraw/zinc/34/94/06/248349406.db2.gz NNUNSUZUBWISCZ-UHFFFAOYSA-N 0 3 335.404 2.152 20 5 EEBDHN C[C@@H]1CCCN(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266563992 248361649 /nfs/dbraw/zinc/36/16/49/248361649.db2.gz PDECUORKVAOOGF-CQSZACIVSA-N 0 3 334.420 2.168 20 5 EEBDHN COc1ccc([C@H](CO)N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000154275420 224230160 /nfs/dbraw/zinc/23/01/60/224230160.db2.gz YEGDYCPLEIOQHU-ROUUACIJSA-N 0 3 346.383 2.302 20 5 EEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC2CCOCC2)CC1 ZINC000267106236 256027761 /nfs/dbraw/zinc/02/77/61/256027761.db2.gz XOMCQNLEJGNAIZ-UHFFFAOYSA-N 0 3 349.431 2.290 20 5 EEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141074 256118168 /nfs/dbraw/zinc/11/81/68/256118168.db2.gz DFDBIZPQNBUVSO-DYVFJYSZSA-N 0 3 346.431 2.386 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268157622 256119837 /nfs/dbraw/zinc/11/98/37/256119837.db2.gz HIJWLIHKYCEQRO-NOZJJQNGSA-N 0 3 348.359 2.024 20 5 EEBDHN CN(CCC1CCN(c2ccncc2)CC1)c1c([N+](=O)[O-])ncn1C ZINC000271302543 256230847 /nfs/dbraw/zinc/23/08/47/256230847.db2.gz GYHBTVPCUOVROG-UHFFFAOYSA-N 0 3 344.419 2.466 20 5 EEBDHN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273038940 256259496 /nfs/dbraw/zinc/25/94/96/256259496.db2.gz VXOOXRDRHQTGTJ-ZDUSSCGKSA-N 0 3 333.388 2.130 20 5 EEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970142 256342467 /nfs/dbraw/zinc/34/24/67/256342467.db2.gz HIQFIFOHLREZCJ-IJLUTSLNSA-N 0 3 337.376 2.099 20 5 EEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000276064684 256399913 /nfs/dbraw/zinc/39/99/13/256399913.db2.gz RTUZWULCOAUDFX-UHFFFAOYSA-N 0 3 336.348 2.026 20 5 EEBDHN COc1cc(C)c([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000179618249 533608519 /nfs/dbraw/zinc/60/85/19/533608519.db2.gz GCQQFMAJUHZENH-GFCCVEGCSA-N 0 3 334.376 2.468 20 5 EEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000193321972 292087447 /nfs/dbraw/zinc/08/74/47/292087447.db2.gz PLTNJJJURKGUJW-CYBMUJFWSA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000123188400 292279314 /nfs/dbraw/zinc/27/93/14/292279314.db2.gz SUHQESXNELNIJD-SWLSCSKDSA-N 0 3 344.415 2.288 20 5 EEBDHN CN1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000374306333 154043552 /nfs/dbraw/zinc/04/35/52/154043552.db2.gz DFTRNPGUTZMACY-ROUUACIJSA-N 0 3 339.395 2.351 20 5 EEBDHN CNC(=O)c1ccc(NC[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262186857 160444064 /nfs/dbraw/zinc/44/40/64/160444064.db2.gz JICHLGHFXHKLIA-INIZCTEOSA-N 0 3 340.383 2.253 20 5 EEBDHN Cc1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000186511597 160073306 /nfs/dbraw/zinc/07/33/06/160073306.db2.gz XQGPEJHZDFQIKT-UHFFFAOYSA-N 0 3 332.364 2.305 20 5 EEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000247333457 160320328 /nfs/dbraw/zinc/32/03/28/160320328.db2.gz VMKWKYVBTJSBQX-LSDHHAIUSA-N 0 3 347.415 2.306 20 5 EEBDHN CN(CCc1ccccc1O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344164916 161203685 /nfs/dbraw/zinc/20/36/85/161203685.db2.gz PLBBXLKAQGQZIE-INIZCTEOSA-N 0 3 346.383 2.215 20 5 EEBDHN C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000345327107 161292172 /nfs/dbraw/zinc/29/21/72/161292172.db2.gz SUKJSKWEYCJFRY-XJKSGUPXSA-N 0 3 334.420 2.386 20 5 EEBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000352051455 162047682 /nfs/dbraw/zinc/04/76/82/162047682.db2.gz BTMKNDRBPAXUMM-CYBMUJFWSA-N 0 3 330.388 2.300 20 5 EEBDHN Cc1c(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210886 164083827 /nfs/dbraw/zinc/08/38/27/164083827.db2.gz DVDSLTUHXRRQNW-RISCZKNCSA-N 0 3 332.404 2.328 20 5 EEBDHN CN1CC[C@]2(CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)C1 ZINC000368304826 166086247 /nfs/dbraw/zinc/08/62/47/166086247.db2.gz QMQLJFBFBLOGJU-SFHVURJKSA-N 0 3 344.415 2.019 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205567 166846017 /nfs/dbraw/zinc/84/60/17/166846017.db2.gz UIIWRJSDYAVNFU-ROUUACIJSA-N 0 3 346.358 2.361 20 5 EEBDHN CCOc1ccc(NC(=O)CSCCN(C)C)c([N+](=O)[O-])c1 ZINC000157880323 292574098 /nfs/dbraw/zinc/57/40/98/292574098.db2.gz DZWPYFSXCWGZKR-UHFFFAOYSA-N 0 3 327.406 2.227 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000277411171 274290902 /nfs/dbraw/zinc/29/09/02/274290902.db2.gz HWXNEAOSYGPTDC-IUODEOHRSA-N 0 3 333.388 2.160 20 5 EEBDHN COc1cc(N2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278672522 274386723 /nfs/dbraw/zinc/38/67/23/274386723.db2.gz CSDVOHWEUFYYMI-CYBMUJFWSA-N 0 3 335.404 2.293 20 5 EEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285755301 274787055 /nfs/dbraw/zinc/78/70/55/274787055.db2.gz ZBFJFIDAYYDZGC-CPUCHLNUSA-N 0 3 346.431 2.480 20 5 EEBDHN CN(C)CCN(CC1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290883668 275248939 /nfs/dbraw/zinc/24/89/39/275248939.db2.gz CGCHDUGWVCTNCZ-UHFFFAOYSA-N 0 3 349.435 2.037 20 5 EEBDHN CN1CC[C@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292159916 275386061 /nfs/dbraw/zinc/38/60/61/275386061.db2.gz JCGVBBZQEMETPS-INIZCTEOSA-N 0 3 335.429 2.241 20 5 EEBDHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519114 276087319 /nfs/dbraw/zinc/08/73/19/276087319.db2.gz QCOQFBWCFSYXRK-IUDNXUCKSA-N 0 3 349.431 2.443 20 5 EEBDHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519114 276087321 /nfs/dbraw/zinc/08/73/21/276087321.db2.gz QCOQFBWCFSYXRK-IUDNXUCKSA-N 0 3 349.431 2.443 20 5 EEBDHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519114 276087322 /nfs/dbraw/zinc/08/73/22/276087322.db2.gz QCOQFBWCFSYXRK-IUDNXUCKSA-N 0 3 349.431 2.443 20 5 EEBDHN CC[C@H](C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000296067023 293884296 /nfs/dbraw/zinc/88/42/96/293884296.db2.gz WJEOAWZVLFWVPF-ZDUSSCGKSA-N 0 3 344.419 2.311 20 5 EEBDHN C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000297309098 294208775 /nfs/dbraw/zinc/20/87/75/294208775.db2.gz IGCSVEMUOCBWRC-AWEZNQCLSA-N 0 3 346.431 2.263 20 5 EEBDHN CN(C)CCn1nccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000297752522 294331596 /nfs/dbraw/zinc/33/15/96/294331596.db2.gz LJXVGCUCDFJZTP-UHFFFAOYSA-N 0 3 337.767 2.259 20 5 EEBDHN O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298949858 294624275 /nfs/dbraw/zinc/62/42/75/294624275.db2.gz FJADDSHXRHSTRN-UHFFFAOYSA-N 0 3 346.431 2.411 20 5 EEBDHN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN(C2CC2)C1 ZINC000450547244 300305027 /nfs/dbraw/zinc/30/50/27/300305027.db2.gz MTAWUZLMCLIARX-GFCCVEGCSA-N 0 3 327.388 2.459 20 5 EEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415572476 313146673 /nfs/dbraw/zinc/14/66/73/313146673.db2.gz BHBZAMFZRIAICC-WCQYABFASA-N 0 3 336.392 2.446 20 5 EEBDHN C[C@@H](O)[C@@H](CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000419801851 313931167 /nfs/dbraw/zinc/93/11/67/313931167.db2.gz CFHWRNLQXBAXCT-CZUORRHYSA-N 0 3 345.399 2.194 20 5 EEBDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028353 314031084 /nfs/dbraw/zinc/03/10/84/314031084.db2.gz UGWVCLHJCRJQJQ-STQMWFEESA-N 0 3 338.408 2.091 20 5 EEBDHN CCC(C)(C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567074138 319345845 /nfs/dbraw/zinc/34/58/45/319345845.db2.gz PKJMHGCVDXOGLJ-LBPRGKRZSA-N 0 3 343.449 2.287 20 5 EEBDHN CSC[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034779 323362800 /nfs/dbraw/zinc/36/28/00/323362800.db2.gz HQTNIOKAUASWRK-STQMWFEESA-N 0 3 326.418 2.162 20 5 EEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354577943 465035095 /nfs/dbraw/zinc/03/50/95/465035095.db2.gz PTRRRFAHDUWZDW-JSGCOSHPSA-N 0 3 341.433 2.088 20 5 EEBDHN CC[C@@H](C)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000296005091 465048633 /nfs/dbraw/zinc/04/86/33/465048633.db2.gz NCVIHNQKTJIKMB-LLVKDONJSA-N 0 3 331.376 2.164 20 5 EEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CC(F)(F)F ZINC000358373487 465084738 /nfs/dbraw/zinc/08/47/38/465084738.db2.gz XWDINKTYLYTMFX-GXSJLCMTSA-N 0 3 349.309 2.215 20 5 EEBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000341328126 465113531 /nfs/dbraw/zinc/11/35/31/465113531.db2.gz JXUAYIJFRKZUMA-UHFFFAOYSA-N 0 3 335.404 2.214 20 5 EEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337326125 465306267 /nfs/dbraw/zinc/30/62/67/465306267.db2.gz VWAZSGOJAXGXDI-KBPBESRZSA-N 0 3 334.420 2.338 20 5 EEBDHN COc1ccc(CNCCC(=O)Nc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000113353500 462589171 /nfs/dbraw/zinc/58/91/71/462589171.db2.gz RTAZXDANJCVOTR-UHFFFAOYSA-N 0 3 344.371 2.425 20 5 EEBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cn1 ZINC000089644485 462703333 /nfs/dbraw/zinc/70/33/33/462703333.db2.gz NJRAWSMATSMFEZ-CVEARBPZSA-N 0 3 328.372 2.037 20 5 EEBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000075654263 462747223 /nfs/dbraw/zinc/74/72/23/462747223.db2.gz NNMORNRHNHYANZ-UHFFFAOYSA-N 0 3 342.399 2.360 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000075750141 462756623 /nfs/dbraw/zinc/75/66/23/462756623.db2.gz VOJUZOJTYPXOHP-LSDHHAIUSA-N 0 3 334.376 2.363 20 5 EEBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117796677 462812332 /nfs/dbraw/zinc/81/23/32/462812332.db2.gz KLUVLGWYIAUJRA-NSHDSACASA-N 0 3 325.796 2.249 20 5 EEBDHN CN(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128911 462942022 /nfs/dbraw/zinc/94/20/22/462942022.db2.gz SHAGGCFYGNEPIL-HNNXBMFYSA-N 0 3 342.399 2.279 20 5 EEBDHN COCCCN(C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120203651 462973180 /nfs/dbraw/zinc/97/31/80/462973180.db2.gz XLOKLJFUNYDFMM-UHFFFAOYSA-N 0 3 338.408 2.301 20 5 EEBDHN CCN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000069617025 463287046 /nfs/dbraw/zinc/28/70/46/463287046.db2.gz WNQCVNWRHPHMDM-UHFFFAOYSA-N 0 3 346.431 2.363 20 5 EEBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000553210876 468355857 /nfs/dbraw/zinc/35/58/57/468355857.db2.gz TZNZZUPZUOGOED-UHFFFAOYSA-N 0 3 329.360 2.194 20 5 EEBDHN O=C1[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000151133347 463481768 /nfs/dbraw/zinc/48/17/68/463481768.db2.gz FPVYDASFGWSRKT-QBPKDAKJSA-N 0 3 345.399 2.247 20 5 EEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccc(F)cc3)CC2)c1 ZINC000083423849 463546292 /nfs/dbraw/zinc/54/62/92/463546292.db2.gz RRHWBQREMRLMAI-QGZVFWFLSA-N 0 3 348.378 2.171 20 5 EEBDHN CC(C)N(CCN(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151937115 463617234 /nfs/dbraw/zinc/61/72/34/463617234.db2.gz PHEIEXISGNQYQA-UHFFFAOYSA-N 0 3 345.403 2.193 20 5 EEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112364095 463700168 /nfs/dbraw/zinc/70/01/68/463700168.db2.gz GBJJKODOMIVUKH-UHFFFAOYSA-N 0 3 349.840 2.258 20 5 EEBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000276915580 463806267 /nfs/dbraw/zinc/80/62/67/463806267.db2.gz PVTVWKVJXQVPMD-HZMBPMFUSA-N 0 3 333.388 2.124 20 5 EEBDHN CCOc1cc(CN2CC[C@H](COCCOC)C2)ccc1[N+](=O)[O-] ZINC000276950860 463817849 /nfs/dbraw/zinc/81/78/49/463817849.db2.gz UKHXWTHQKJPHQB-HNNXBMFYSA-N 0 3 338.404 2.478 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1OC ZINC000276997952 463836038 /nfs/dbraw/zinc/83/60/38/463836038.db2.gz NXKPFGOFCIRZHR-TZMCWYRMSA-N 0 3 337.376 2.089 20 5 EEBDHN C[C@H](CCC1CC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186408315 463993709 /nfs/dbraw/zinc/99/37/09/463993709.db2.gz MRWSALPACSWSOH-GFCCVEGCSA-N 0 3 341.433 2.041 20 5 EEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000283932159 464046638 /nfs/dbraw/zinc/04/66/38/464046638.db2.gz JPRREEWMKIUCTP-MRVPVSSYSA-N 0 3 344.209 2.346 20 5 EEBDHN CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721528 464057332 /nfs/dbraw/zinc/05/73/32/464057332.db2.gz PADQDORAOJOSRA-PBHICJAKSA-N 0 3 335.404 2.086 20 5 EEBDHN NC(=O)c1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262597 464082676 /nfs/dbraw/zinc/08/26/76/464082676.db2.gz MKBMXIYQONJGBT-FVQBIDKESA-N 0 3 345.399 2.131 20 5 EEBDHN C[C@H](c1ccccc1)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270800 464180971 /nfs/dbraw/zinc/18/09/71/464180971.db2.gz SDROUOFKQPWSAV-CXAGYDPISA-N 0 3 343.383 2.221 20 5 EEBDHN CCOc1ccccc1[C@H](CC)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754672 464181879 /nfs/dbraw/zinc/18/18/79/464181879.db2.gz GPBBQARPDUQOAT-HOCLYGCPSA-N 0 3 348.403 2.292 20 5 EEBDHN COCCCN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263823734 464205491 /nfs/dbraw/zinc/20/54/91/464205491.db2.gz YXCVDCWQLFRDLR-UHFFFAOYSA-N 0 3 338.364 2.416 20 5 EEBDHN CC(C)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC1 ZINC000179954742 464213688 /nfs/dbraw/zinc/21/36/88/464213688.db2.gz IFNMZRAPCHGHCY-UHFFFAOYSA-N 0 3 349.387 2.318 20 5 EEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000280643537 464225939 /nfs/dbraw/zinc/22/59/39/464225939.db2.gz ZPJCUYIZAZTHCA-OLZOCXBDSA-N 0 3 333.388 2.302 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000237779503 464378813 /nfs/dbraw/zinc/37/88/13/464378813.db2.gz WMELZLYXPFUKNQ-CHWSQXEVSA-N 0 3 341.433 2.007 20 5 EEBDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460856 464619906 /nfs/dbraw/zinc/61/99/06/464619906.db2.gz OMHIDUWOJBJADV-XEZPLFJOSA-N 0 3 332.404 2.391 20 5 EEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000182444997 464656059 /nfs/dbraw/zinc/65/60/59/464656059.db2.gz DRXDLWFXIFABQO-NVXWUHKLSA-N 0 3 346.431 2.263 20 5 EEBDHN CNC(=O)CC[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286348174 464886680 /nfs/dbraw/zinc/88/66/80/464886680.db2.gz GVURVVJDSPFRIC-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN CCCN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276344836 464898551 /nfs/dbraw/zinc/89/85/51/464898551.db2.gz SWUYIZABTRXKGQ-LBPRGKRZSA-N 0 3 341.433 2.142 20 5 EEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249820784 464918842 /nfs/dbraw/zinc/91/88/42/464918842.db2.gz GLVVZGMZCFPOIU-OCCSQVGLSA-N 0 3 335.429 2.382 20 5 EEBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000554600359 468428823 /nfs/dbraw/zinc/42/88/23/468428823.db2.gz QMBYLGIMXLBPSV-CYBMUJFWSA-N 0 3 349.387 2.270 20 5 EEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](CN2CCOCC2)C1 ZINC000254991283 465021740 /nfs/dbraw/zinc/02/17/40/465021740.db2.gz GHOZQYHWDLAGPK-OICCZTGUSA-N 0 3 331.416 2.262 20 5 EEBDHN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCN(CCO)CC1 ZINC000356731253 465511522 /nfs/dbraw/zinc/51/15/22/465511522.db2.gz IBWSZVZLYCUKII-UHFFFAOYSA-N 0 3 345.346 2.089 20 5 EEBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccncc3)CC2)nc1 ZINC000299569916 465806988 /nfs/dbraw/zinc/80/69/88/465806988.db2.gz PEORGUFZWWQQPZ-UHFFFAOYSA-N 0 3 342.403 2.009 20 5 EEBDHN COc1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000357164267 465825601 /nfs/dbraw/zinc/82/56/01/465825601.db2.gz DWPBJLRBAAWUJN-CQSZACIVSA-N 0 3 335.404 2.454 20 5 EEBDHN CC[C@H]1CN(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000362671796 465927526 /nfs/dbraw/zinc/92/75/26/465927526.db2.gz LYFPTPYCZVGPBB-HNNXBMFYSA-N 0 3 344.415 2.396 20 5 EEBDHN CCCc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181862 465969198 /nfs/dbraw/zinc/96/91/98/465969198.db2.gz BWZGCKUQZFFGSZ-YRGRVCCFSA-N 0 3 349.435 2.073 20 5 EEBDHN CCCc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181862 465969202 /nfs/dbraw/zinc/96/92/02/465969202.db2.gz BWZGCKUQZFFGSZ-YRGRVCCFSA-N 0 3 349.435 2.073 20 5 EEBDHN C[C@H](CN(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000346224340 466006451 /nfs/dbraw/zinc/00/64/51/466006451.db2.gz NNHVEZXTPUGPGV-MRVPVSSYSA-N 0 3 330.182 2.037 20 5 EEBDHN Cc1[nH]ncc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353622320 466018546 /nfs/dbraw/zinc/01/85/46/466018546.db2.gz NWBUKQOZBPTCSB-OAHLLOKOSA-N 0 3 326.360 2.239 20 5 EEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254451 466031976 /nfs/dbraw/zinc/03/19/76/466031976.db2.gz BCMSXTKTJTXOCT-JJRVBVJISA-N 0 3 331.416 2.326 20 5 EEBDHN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000362986975 466161917 /nfs/dbraw/zinc/16/19/17/466161917.db2.gz PLPZRGOPBDYIQU-CQSZACIVSA-N 0 3 342.399 2.080 20 5 EEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349796958 466244316 /nfs/dbraw/zinc/24/43/16/466244316.db2.gz DCMNGTWMYBAGNN-ZDUSSCGKSA-N 0 3 343.449 2.219 20 5 EEBDHN CS[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1N(C)C ZINC000340742148 466304057 /nfs/dbraw/zinc/30/40/57/466304057.db2.gz KHNMKIRQIJZANY-STQMWFEESA-N 0 3 349.416 2.127 20 5 EEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305743580 466445522 /nfs/dbraw/zinc/44/55/22/466445522.db2.gz UBYNXHAQDGIZGO-ZWKOTPCHSA-N 0 3 328.368 2.052 20 5 EEBDHN C[C@@H]1CCC[C@H](CO)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839135 466479293 /nfs/dbraw/zinc/47/92/93/466479293.db2.gz GMRYSTZVRNINJZ-TZMCWYRMSA-N 0 3 349.387 2.128 20 5 EEBDHN CCN1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000332346955 466518884 /nfs/dbraw/zinc/51/88/84/466518884.db2.gz YOPRSGCBZZMOHK-STQMWFEESA-N 0 3 335.404 2.376 20 5 EEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000332356055 466525290 /nfs/dbraw/zinc/52/52/90/466525290.db2.gz ZMTMEKAXXAHROH-ZFWWWQNUSA-N 0 3 346.431 2.408 20 5 EEBDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000354446055 466573983 /nfs/dbraw/zinc/57/39/83/466573983.db2.gz MZNHXYIKOZCTFN-AWEZNQCLSA-N 0 3 335.404 2.354 20 5 EEBDHN O=C([C@@H]1CNCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686484 468503106 /nfs/dbraw/zinc/50/31/06/468503106.db2.gz KOTWMJDENBCQBW-ZDUSSCGKSA-N 0 3 339.342 2.331 20 5 EEBDHN CN(C)C1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000416307593 466729167 /nfs/dbraw/zinc/72/91/67/466729167.db2.gz LSLCFRFNNKDZTI-UHFFFAOYSA-N 0 3 331.294 2.438 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000370204308 466795946 /nfs/dbraw/zinc/79/59/46/466795946.db2.gz OVAREYPOXOILKT-UHFFFAOYSA-N 0 3 333.388 2.304 20 5 EEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CNC2 ZINC000417238802 466812276 /nfs/dbraw/zinc/81/22/76/466812276.db2.gz ZCVAFSRAZBSJJP-UHFFFAOYSA-N 0 3 340.383 2.240 20 5 EEBDHN Cn1ccnc1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631708 466888125 /nfs/dbraw/zinc/88/81/25/466888125.db2.gz AFULTYGUKFHVCK-ZBFHGGJFSA-N 0 3 330.388 2.241 20 5 EEBDHN CC[C@]1(O)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428433302 467233358 /nfs/dbraw/zinc/23/33/58/467233358.db2.gz SPMGVFCMBBPNPE-KRWDZBQOSA-N 0 3 330.388 2.342 20 5 EEBDHN Cc1n[nH]c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000428889195 467278892 /nfs/dbraw/zinc/27/88/92/467278892.db2.gz VOLHKYPLMVIMNM-CYBMUJFWSA-N 0 3 331.376 2.180 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429235768 467315133 /nfs/dbraw/zinc/31/51/33/467315133.db2.gz RSEROACIPBRPCV-ZDUSSCGKSA-N 0 3 341.367 2.304 20 5 EEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780331 467369754 /nfs/dbraw/zinc/36/97/54/467369754.db2.gz CDUYXIZUTQCMHF-GJZGRUSLSA-N 0 3 335.404 2.386 20 5 EEBDHN CN1CCC[C@@H](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458209436 467790159 /nfs/dbraw/zinc/79/01/59/467790159.db2.gz OOBHWAUNTUUYMU-AWEZNQCLSA-N 0 3 347.415 2.406 20 5 EEBDHN CC(COC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000497056491 467811079 /nfs/dbraw/zinc/81/10/79/467811079.db2.gz RXBAAMLNJAZFRK-VIFPVBQESA-N 0 3 325.321 2.251 20 5 EEBDHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459545571 467961580 /nfs/dbraw/zinc/96/15/80/467961580.db2.gz SKUGIQKSLOYRBY-MRXNPFEDSA-N 0 3 349.431 2.361 20 5 EEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000530439500 467985011 /nfs/dbraw/zinc/98/50/11/467985011.db2.gz GZXPKDPBSWNQKL-DLBZAZTESA-N 0 3 345.403 2.261 20 5 EEBDHN CN(C)C/C=C\C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493869343 468000327 /nfs/dbraw/zinc/00/03/27/468000327.db2.gz KWDZPKUIOIHHHS-ARJAWSKDSA-N 0 3 331.294 2.348 20 5 EEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](C)C1 ZINC000516394202 468025857 /nfs/dbraw/zinc/02/58/57/468025857.db2.gz VRQGLZLSYBLZMV-NWDGAFQWSA-N 0 3 349.387 2.174 20 5 EEBDHN COc1ccc(OCCN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488020808 468068171 /nfs/dbraw/zinc/06/81/71/468068171.db2.gz CKMAPMYDYKELAV-INIZCTEOSA-N 0 3 337.420 2.254 20 5 EEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C[NH3+])cc2)c1C ZINC000567859111 468224457 /nfs/dbraw/zinc/22/44/57/468224457.db2.gz UVSUCDFKKRWMAK-UHFFFAOYSA-N 0 3 349.412 2.149 20 5 EEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1COCCN1 ZINC000600712194 468628971 /nfs/dbraw/zinc/62/89/71/468628971.db2.gz UPICCYBIYUBGDK-CHWSQXEVSA-N 0 3 325.434 2.044 20 5 EEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3cccnc3)C2)c1 ZINC000592140014 468634599 /nfs/dbraw/zinc/63/45/99/468634599.db2.gz SYENEIWQCWTTSX-RDJZCZTQSA-N 0 3 343.383 2.219 20 5 EEBDHN COc1ccc(CNCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994105 468740018 /nfs/dbraw/zinc/74/00/18/468740018.db2.gz CBLXBQNUDZBJOE-KRWDZBQOSA-N 0 3 338.404 2.261 20 5 EEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)N1CCOCC1 ZINC000595004074 468742221 /nfs/dbraw/zinc/74/22/21/468742221.db2.gz NELLHIGWYRBVSE-CYBMUJFWSA-N 0 3 337.420 2.365 20 5 EEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(C[C@@H]4CCOC4)CC3)c2c1 ZINC000601126534 468753359 /nfs/dbraw/zinc/75/33/59/468753359.db2.gz SRNVXJQVEUHHCQ-AWEZNQCLSA-N 0 3 342.399 2.302 20 5 EEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598261129 468809892 /nfs/dbraw/zinc/80/98/92/468809892.db2.gz FBYNIXLFAGFRKP-ZDUSSCGKSA-N 0 3 335.404 2.454 20 5 EEBDHN CCCN1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598342294 468836708 /nfs/dbraw/zinc/83/67/08/468836708.db2.gz LWWQUMNQSYURTD-NSHDSACASA-N 0 3 344.371 2.063 20 5 EEBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cn2cccn2)c2ccccc2)n1 ZINC000610582717 469009309 /nfs/dbraw/zinc/00/93/09/469009309.db2.gz QZTPKRYDXVPBCN-OAHLLOKOSA-N 0 3 326.360 2.019 20 5 EEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610583376 469011810 /nfs/dbraw/zinc/01/18/10/469011810.db2.gz SFEUEIWRZHGVDU-CABCVRRESA-N 0 3 346.431 2.400 20 5 EEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000602841842 469111506 /nfs/dbraw/zinc/11/15/06/469111506.db2.gz WBHSULUJMUOUHI-NSHDSACASA-N 0 3 326.397 2.009 20 5 EEBDHN CSC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602920006 469164957 /nfs/dbraw/zinc/16/49/57/469164957.db2.gz PMVRQQNVYCKISL-ZDUSSCGKSA-N 0 3 326.418 2.162 20 5 EEBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000611197716 469190657 /nfs/dbraw/zinc/19/06/57/469190657.db2.gz ZUMVOCZCJZSOAP-UHFFFAOYSA-N 0 3 344.371 2.132 20 5 EEBDHN O=C(CNC1(CO)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611462991 469254691 /nfs/dbraw/zinc/25/46/91/469254691.db2.gz LASJHUMWKHCPRR-UHFFFAOYSA-N 0 3 341.795 2.472 20 5 EEBDHN C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596460926 469274699 /nfs/dbraw/zinc/27/46/99/469274699.db2.gz ARLYUMFXPNDRPK-HNNXBMFYSA-N 0 3 342.399 2.449 20 5 EEBDHN C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596460926 469274700 /nfs/dbraw/zinc/27/47/00/469274700.db2.gz ARLYUMFXPNDRPK-HNNXBMFYSA-N 0 3 342.399 2.449 20 5 EEBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCCc4c[nH]nc43)CC2)cn1 ZINC000602573099 469367514 /nfs/dbraw/zinc/36/75/14/469367514.db2.gz YPNRYEVKGTYKTG-HNNXBMFYSA-N 0 3 342.403 2.349 20 5 EEBDHN NCc1ccc2c(c1)N(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000602575568 469369133 /nfs/dbraw/zinc/36/91/33/469369133.db2.gz FLTKNIRUTSVVGE-UHFFFAOYSA-N 0 3 341.367 2.412 20 5 EEBDHN CC[C@@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000616865348 469526242 /nfs/dbraw/zinc/52/62/42/469526242.db2.gz LPPWWLICPNSCJP-CQSZACIVSA-N 0 3 327.768 2.345 20 5 EEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594204038 485602879 /nfs/dbraw/zinc/60/28/79/485602879.db2.gz WMXKGKQVJHIPQQ-GJZGRUSLSA-N 0 3 333.388 2.350 20 5 EEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000491687200 535935796 /nfs/dbraw/zinc/93/57/96/535935796.db2.gz UWLIZJBCNIPFHJ-MIOHMZDASA-N 0 3 333.363 2.442 20 5 EEBDHN CN(C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000439140078 536131941 /nfs/dbraw/zinc/13/19/41/536131941.db2.gz YNGTXSFKWVJNPM-HNNXBMFYSA-N 0 3 328.372 2.409 20 5 EEBDHN CC(C)c1n[n-]c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000771492650 577215693 /nfs/dbraw/zinc/21/56/93/577215693.db2.gz SUXGALVKMKLGKD-UHFFFAOYSA-N 0 3 334.380 2.191 20 5 EEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773190808 577321695 /nfs/dbraw/zinc/32/16/95/577321695.db2.gz LOIVRDZBPDMSAA-LLVKDONJSA-N 0 3 344.371 2.063 20 5 EEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COC2(CCOCC2)O1 ZINC000777309029 577476419 /nfs/dbraw/zinc/47/64/19/577476419.db2.gz IULJZQMPJNTUTH-UKRRQHHQSA-N 0 3 336.388 2.476 20 5 EEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742413082 577872623 /nfs/dbraw/zinc/87/26/23/577872623.db2.gz ZLRWQFNVHBKSCQ-JOYOIKCWSA-N 0 3 338.364 2.198 20 5 EEBDHN CC(C)N1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742147445 578127966 /nfs/dbraw/zinc/12/79/66/578127966.db2.gz CMPGEHQUDVZWTD-UHFFFAOYSA-N 0 3 344.419 2.227 20 5 EEBDHN Cc1ncc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)s1 ZINC001021884731 676535533 /nfs/dbraw/zinc/53/55/33/676535533.db2.gz OFGWZKNESAYZQW-BETUJISGSA-N 0 3 346.412 2.410 20 5 EEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891447861 676627624 /nfs/dbraw/zinc/62/76/24/676627624.db2.gz ZCTGOWGZPJKOMN-INIZCTEOSA-N 0 3 340.383 2.109 20 5 EEBDHN CCc1oncc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022793363 678537638 /nfs/dbraw/zinc/53/76/38/678537638.db2.gz ZASVTLGEEXEDDV-BETUJISGSA-N 0 3 344.371 2.196 20 5 EEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707783 683043435 /nfs/dbraw/zinc/04/34/35/683043435.db2.gz PFJQBTMTGAZXJA-MGPQQGTHSA-N 0 3 336.388 2.434 20 5 EEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707783 683043440 /nfs/dbraw/zinc/04/34/40/683043440.db2.gz PFJQBTMTGAZXJA-MGPQQGTHSA-N 0 3 336.388 2.434 20 5 EEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000872037931 1198033367 /nfs/dbraw/zinc/03/33/67/1198033367.db2.gz HDVLEMWPYNZWTR-QMTHXVAHSA-N 0 3 336.417 2.434 20 5 EEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000813618883 1199118165 /nfs/dbraw/zinc/11/81/65/1199118165.db2.gz PLIPQLNOLPLFNO-INIZCTEOSA-N 0 3 346.362 2.349 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC001134270062 1199438068 /nfs/dbraw/zinc/43/80/68/1199438068.db2.gz VSJQKXGWXPQGMH-UHFFFAOYSA-N 0 3 339.395 2.216 20 5 EEBDHN Cc1cc(C)c(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c(C)c1 ZINC000813106352 1201117258 /nfs/dbraw/zinc/11/72/58/1201117258.db2.gz BLBMIRSWQXHXFP-KGLIPLIRSA-N 0 3 334.372 2.173 20 5 EEBDHN COC(=O)CC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040787 1201360352 /nfs/dbraw/zinc/36/03/52/1201360352.db2.gz KBXYEJGLMRAMHV-XJKSGUPXSA-N 0 3 336.388 2.293 20 5 EEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778268597 1208027582 /nfs/dbraw/zinc/02/75/82/1208027582.db2.gz GGOVKRNLGCOGIW-LLVKDONJSA-N 0 3 349.416 2.204 20 5 EEBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114775813 1215279270 /nfs/dbraw/zinc/27/92/70/1215279270.db2.gz JGYJXRKCDGOSAO-CTYIDZIISA-N 0 3 334.420 2.242 20 5 EEBDHN Cc1nc(C)c(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020047557 1229457848 /nfs/dbraw/zinc/45/78/48/1229457848.db2.gz SOXIIGAMRYXTRN-HDJSIYSDSA-N 0 3 344.371 2.250 20 5 EEBDHN CCc1nc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)co1 ZINC001020093946 1229481376 /nfs/dbraw/zinc/48/13/76/1229481376.db2.gz QWUSYWQTXJJQRS-JOCQHMNTSA-N 0 3 344.371 2.196 20 5 EEBDHN CN(C)C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc2O1 ZINC000827095861 1249870684 /nfs/dbraw/zinc/87/06/84/1249870684.db2.gz MNYUSHQPZWTMHQ-CYBMUJFWSA-N 0 3 335.404 2.178 20 5 EEBDHN CN(C)C1(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001057188377 1242320780 /nfs/dbraw/zinc/32/07/80/1242320780.db2.gz IXSFNGXXRHTTND-UHFFFAOYSA-N 0 3 346.431 2.118 20 5 EEBDHN Cn1nccc1[C@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801560 1293639798 /nfs/dbraw/zinc/63/97/98/1293639798.db2.gz STGQNXPAAWTCLW-GOSISDBHSA-N 0 3 344.415 2.316 20 5 EEBDHN O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CN3C[C@H]2NCC3)cc1 ZINC001218109541 1297574935 /nfs/dbraw/zinc/57/49/35/1297574935.db2.gz AQANOFCCKBTLIM-SJLPKXTDSA-N 0 3 325.368 2.297 20 5 EEBDHN Cc1[nH]c(=O)cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228684923 1302379349 /nfs/dbraw/zinc/37/93/49/1302379349.db2.gz BPONNHVQWCWLAJ-JOCQHMNTSA-N 0 3 337.376 2.026 20 5 EEBDHN CN(CCCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001231197014 1303677397 /nfs/dbraw/zinc/67/73/97/1303677397.db2.gz XQTVLAKFPWZXFJ-UHFFFAOYSA-N 0 3 328.372 2.242 20 5 EEBDHN NC(=O)NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219532 1304042844 /nfs/dbraw/zinc/04/28/44/1304042844.db2.gz VFBSHCBQECPAHX-UHFFFAOYSA-N 0 3 335.411 2.416 20 5 EEBDHN CCN1CCN(CC(C)(C)Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000829493079 1314500022 /nfs/dbraw/zinc/50/00/22/1314500022.db2.gz KJAUHNFFWDOURK-UHFFFAOYSA-N 0 3 346.435 2.071 20 5 EEBDHN O=[N+]([O-])c1ccc(OCCN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839576429 1315217030 /nfs/dbraw/zinc/21/70/30/1315217030.db2.gz GCHJVSBSHRPBKH-INIZCTEOSA-N 0 3 346.387 2.142 20 5 EEBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCNC[C@H]1c1cccs1 ZINC001156097029 1317874827 /nfs/dbraw/zinc/87/48/27/1317874827.db2.gz FMSAKHLOYQWBQY-JTQLQIEISA-N 0 3 340.792 2.094 20 5 EEBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC001254465947 1318081386 /nfs/dbraw/zinc/08/13/86/1318081386.db2.gz QQPSXRPVYVEVJH-UHFFFAOYSA-N 0 3 329.404 2.395 20 5 EEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cc(OCC3CC3)ncn1)C2 ZINC001254587577 1318134850 /nfs/dbraw/zinc/13/48/50/1318134850.db2.gz QFWLWVILSJOUHH-HNNXBMFYSA-N 0 3 340.383 2.431 20 5 EEBDHN NCc1nn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156856085 1318246195 /nfs/dbraw/zinc/24/61/95/1318246195.db2.gz WCJUFGGZIXVTKE-UHFFFAOYSA-N 0 3 339.142 2.489 20 5 EEBDHN CN1CCN(C(=N)Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001157915270 1318928237 /nfs/dbraw/zinc/92/82/37/1318928237.db2.gz OQLIDXWBRAHBGV-UHFFFAOYSA-N 0 3 348.794 2.390 20 5 EEBDHN COCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001162697196 1320933404 /nfs/dbraw/zinc/93/34/04/1320933404.db2.gz WCNPKVJOQQWZPE-UHFFFAOYSA-N 0 3 335.404 2.007 20 5 EEBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC001165139843 1321464306 /nfs/dbraw/zinc/46/43/06/1321464306.db2.gz LYNFYNUBIQFDPZ-UHFFFAOYSA-N 0 3 331.829 2.292 20 5 EEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2N(C)C)ccc1[N+](=O)[O-] ZINC001318540542 1332557605 /nfs/dbraw/zinc/55/76/05/1332557605.db2.gz KNVYAWXVTYFWAC-DZGCQCFKSA-N 0 3 341.433 2.054 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001609113898 1351849548 /nfs/dbraw/zinc/84/95/48/1351849548.db2.gz LOPPIBOWGXFZBP-LBPRGKRZSA-N 0 3 345.407 2.309 20 5 EEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001330613421 1334877586 /nfs/dbraw/zinc/87/75/86/1334877586.db2.gz KUTWSRKCLXXWEP-GFCCVEGCSA-N 0 3 332.404 2.193 20 5 EEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC001331187080 1334977422 /nfs/dbraw/zinc/97/74/22/1334977422.db2.gz NXBGGXDMVYPPAU-UHFFFAOYSA-N 0 3 327.406 2.318 20 5 EEBDHN CN1CCCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001337304892 1336680237 /nfs/dbraw/zinc/68/02/37/1336680237.db2.gz CHJYZYDYCUUMCS-MRXNPFEDSA-N 0 3 348.447 2.323 20 5 EEBDHN COC1CCN(CCNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001344875431 1337414146 /nfs/dbraw/zinc/41/41/46/1337414146.db2.gz LUJIQMQSGPLCGQ-UHFFFAOYSA-N 0 3 336.392 2.136 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589630401 1349013042 /nfs/dbraw/zinc/01/30/42/1349013042.db2.gz WWAMKNRKGLUTFA-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589630401 1349013046 /nfs/dbraw/zinc/01/30/46/1349013046.db2.gz WWAMKNRKGLUTFA-UHFFFAOYSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258908 1349234499 /nfs/dbraw/zinc/23/44/99/1349234499.db2.gz FOYNSIOUNSAPLF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590258908 1349234509 /nfs/dbraw/zinc/23/45/09/1349234509.db2.gz FOYNSIOUNSAPLF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258908 1349234514 /nfs/dbraw/zinc/23/45/14/1349234514.db2.gz FOYNSIOUNSAPLF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001590258908 1349234520 /nfs/dbraw/zinc/23/45/20/1349234520.db2.gz FOYNSIOUNSAPLF-NEPJUHHUSA-N 0 3 345.407 2.307 20 5 EEBDHN C[NH+](C)CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001604681247 1350983665 /nfs/dbraw/zinc/98/36/65/1350983665.db2.gz WKEUKPCNAFOUAP-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN C[NH+](C)CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001604681247 1350983668 /nfs/dbraw/zinc/98/36/68/1350983668.db2.gz WKEUKPCNAFOUAP-UHFFFAOYSA-N 0 3 345.407 2.309 20 5 EEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ocnc1C ZINC001754038427 1406819867 /nfs/dbraw/zinc/81/98/67/1406819867.db2.gz CPVYJBCGPKBTFQ-UHFFFAOYSA-N 0 3 332.360 2.143 20 5 EEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CCOCC1 ZINC001131812652 783293616 /nfs/dbraw/zinc/29/36/16/783293616.db2.gz MBUAVXFHGDSUNV-UHFFFAOYSA-N 0 3 347.415 2.007 20 5 EEBDHN CCN1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910280500 786611274 /nfs/dbraw/zinc/61/12/74/786611274.db2.gz BRFZMTGUFXLKBG-JTQLQIEISA-N 0 3 349.416 2.156 20 5 EEBDHN CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000843843642 788685556 /nfs/dbraw/zinc/68/55/56/788685556.db2.gz SKMGSCBPYVLJBY-OLZOCXBDSA-N 0 3 341.408 2.160 20 5 EEBDHN CC(=O)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172922207 797152826 /nfs/dbraw/zinc/15/28/26/797152826.db2.gz XHOGJYFTCNGBDM-GUYCJALGSA-N 0 3 331.416 2.395 20 5 EEBDHN COC(=O)c1ccc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173220485 797301552 /nfs/dbraw/zinc/30/15/52/797301552.db2.gz FJHHXOXJLSWFFW-GFCCVEGCSA-N 0 3 329.356 2.497 20 5 EEBDHN CCCN(C)CC(=O)N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001095233897 797566562 /nfs/dbraw/zinc/56/65/62/797566562.db2.gz YDLOTXIKDFWFON-UHFFFAOYSA-N 0 3 349.435 2.043 20 5 EEBDHN CC(C)c1ncncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151266509 801323471 /nfs/dbraw/zinc/32/34/71/801323471.db2.gz XJHUQHAVZSIKNE-UHFFFAOYSA-N 0 3 343.387 2.028 20 5 EEBDHN CCC(=O)NCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001112640512 806910904 /nfs/dbraw/zinc/91/09/04/806910904.db2.gz VHSRONOGRUGUPC-UHFFFAOYSA-N 0 3 348.447 2.413 20 5 EEBDHN Cc1cnoc1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086243100 802582160 /nfs/dbraw/zinc/58/21/60/802582160.db2.gz SIBUFZMECRNSKC-XBXGTLAGSA-N 0 3 344.371 2.189 20 5 EEBDHN CN(CCCNc1cccc(F)c1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001109454675 805492354 /nfs/dbraw/zinc/49/23/54/805492354.db2.gz MBYIVMSBZJDWFC-UHFFFAOYSA-N 0 3 338.383 2.090 20 5 EEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC001129492345 810873947 /nfs/dbraw/zinc/87/39/47/810873947.db2.gz XLZRLDCBYWUYAU-UHFFFAOYSA-N 0 3 335.310 2.393 20 5 EEBDHN