smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178100363 232082251 /nfs/dbraw/zinc/08/22/51/232082251.db2.gz CQIIKAJESJYBCB-AWEZNQCLSA-N 0 1 348.403 1.187 20 5 EDBDMN Cc1[nH]nc(C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000412506264 304014503 /nfs/dbraw/zinc/01/45/03/304014503.db2.gz LDAZXZYNQBDZQD-VIFPVBQESA-N 0 1 338.364 1.961 20 5 EDBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000563277001 306325995 /nfs/dbraw/zinc/32/59/95/306325995.db2.gz JAEUAQOLDGBRPJ-UHFFFAOYSA-N 0 1 338.360 1.794 20 5 EDBDMN CN1CCN(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074125231 138225267 /nfs/dbraw/zinc/22/52/67/138225267.db2.gz BZCPBGGKVNSOPO-UHFFFAOYSA-N 0 1 349.435 1.151 20 5 EDBDMN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CN1 ZINC000086468903 138271202 /nfs/dbraw/zinc/27/12/02/138271202.db2.gz PAJJWHRAZRLONZ-RKDXNWHRSA-N 0 1 333.797 1.619 20 5 EDBDMN CCOc1ccc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000124294205 138325624 /nfs/dbraw/zinc/32/56/24/138325624.db2.gz BOOBJPGKCPBKFB-VIFPVBQESA-N 0 1 334.336 1.382 20 5 EDBDMN CCOc1ccc(NC(=O)CN[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000565160227 306376672 /nfs/dbraw/zinc/37/66/72/306376672.db2.gz BRMHGLWHONFHDH-ZIAGYGMSSA-N 0 1 337.376 1.681 20 5 EDBDMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103284722 204071977 /nfs/dbraw/zinc/07/19/77/204071977.db2.gz MTWYCKPLTXYKFY-QWRGUYRKSA-N 0 1 335.360 1.547 20 5 EDBDMN CCCc1n[nH]c(C(=O)N2CCC(n3ccnc3)CC2)c1[N+](=O)[O-] ZINC000109621243 204288169 /nfs/dbraw/zinc/28/81/69/204288169.db2.gz LNLMTDGFJHPDHF-UHFFFAOYSA-N 0 1 332.364 1.944 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1CCOCC1 ZINC000156036877 206051106 /nfs/dbraw/zinc/05/11/06/206051106.db2.gz AIJOIAKNXJJMDP-UHFFFAOYSA-N 0 1 337.376 1.900 20 5 EDBDMN CN(CCn1ccc([N+](=O)[O-])n1)CCN1C(=O)c2ccccc2C1=O ZINC000158947367 206218446 /nfs/dbraw/zinc/21/84/46/206218446.db2.gz ANFGNGJAQWTBFA-UHFFFAOYSA-N 0 1 343.343 1.019 20 5 EDBDMN C[C@H](O)CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249395373 139192531 /nfs/dbraw/zinc/19/25/31/139192531.db2.gz APEDWULJCZVFRY-KGLIPLIRSA-N 0 1 335.404 1.441 20 5 EDBDMN Cc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261988425 139242199 /nfs/dbraw/zinc/24/21/99/139242199.db2.gz SAOKZAQZTHMCAX-UHFFFAOYSA-N 0 1 341.331 1.872 20 5 EDBDMN O=C(C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1[N+](=O)[O-] ZINC000262130067 139253494 /nfs/dbraw/zinc/25/34/94/139253494.db2.gz KREVWUBBNDSHSM-MEDUHNTESA-N 0 1 333.344 1.720 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000415560369 251012809 /nfs/dbraw/zinc/01/28/09/251012809.db2.gz LLGRMDPQEIMWOI-WDEREUQCSA-N 0 1 334.376 1.305 20 5 EDBDMN Cc1cc(N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000416403375 251067739 /nfs/dbraw/zinc/06/77/39/251067739.db2.gz NJJPCFPUYJPCCN-NSHDSACASA-N 0 1 341.339 1.264 20 5 EDBDMN CCN(CC)CCS(=O)(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000416461432 251071000 /nfs/dbraw/zinc/07/10/00/251071000.db2.gz ZCFFAQVVRBZXTR-UHFFFAOYSA-N 0 1 342.421 1.020 20 5 EDBDMN C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262336897 139271218 /nfs/dbraw/zinc/27/12/18/139271218.db2.gz TUGRPYDECOOPEH-UWVGGRQHSA-N 0 1 331.369 1.400 20 5 EDBDMN O=[N+]([O-])c1ccn(CCN2CCN(CCc3ccccc3)CC2)n1 ZINC000176200485 207200126 /nfs/dbraw/zinc/20/01/26/207200126.db2.gz MBWFVKDJQGRWND-UHFFFAOYSA-N 0 1 329.404 1.652 20 5 EDBDMN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000424201770 252159772 /nfs/dbraw/zinc/15/97/72/252159772.db2.gz HJSSQQCNSDCBIE-UHFFFAOYSA-N 0 1 340.361 1.584 20 5 EDBDMN Cc1ccc2nc(CNC(=O)NCCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000490332508 255084519 /nfs/dbraw/zinc/08/45/19/255084519.db2.gz OBPZRSREFQDJGZ-UHFFFAOYSA-N 0 1 343.347 1.475 20 5 EDBDMN C[C@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000494037636 255233157 /nfs/dbraw/zinc/23/31/57/255233157.db2.gz KNCNYJNZXFEWTK-GXTWGEPZSA-N 0 1 343.387 1.721 20 5 EDBDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264257088 139390722 /nfs/dbraw/zinc/39/07/22/139390722.db2.gz OKTXBRWHCSLTQM-VWYCJHECSA-N 0 1 336.348 1.573 20 5 EDBDMN COCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000264562607 139415615 /nfs/dbraw/zinc/41/56/15/139415615.db2.gz QWRXLDKNYBJCHI-LLVKDONJSA-N 0 1 327.768 1.699 20 5 EDBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266121835 139515282 /nfs/dbraw/zinc/51/52/82/139515282.db2.gz ACBIUJIUHFOZEG-UHFFFAOYSA-N 0 1 349.391 1.211 20 5 EDBDMN C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000271357009 140284396 /nfs/dbraw/zinc/28/43/96/140284396.db2.gz FSQPNBKUJRSHMB-TZMCWYRMSA-N 0 1 343.387 1.721 20 5 EDBDMN COC(=O)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000271783279 140349474 /nfs/dbraw/zinc/34/94/74/140349474.db2.gz SOSIMOWARVQRTH-GFCCVEGCSA-N 0 1 339.367 1.803 20 5 EDBDMN C[C@@H]1CC[C@H](N(CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000331590642 141053104 /nfs/dbraw/zinc/05/31/04/141053104.db2.gz BDSRGQSTBSOIDH-HIFRSBDPSA-N 0 1 347.415 1.967 20 5 EDBDMN O=C(N[C@@H]1CCO[C@H]1c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346139509 143171604 /nfs/dbraw/zinc/17/16/04/143171604.db2.gz XOKUGLCHGINBTF-CABCVRRESA-N 0 1 329.312 1.955 20 5 EDBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C(N)=O ZINC000346639509 143225069 /nfs/dbraw/zinc/22/50/69/143225069.db2.gz DMQTZYSNNVTCDI-HZMBPMFUSA-N 0 1 330.344 1.803 20 5 EDBDMN C[C@@H](CN1CCN(C)CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347412973 143318258 /nfs/dbraw/zinc/31/82/58/143318258.db2.gz KNLLJXZIOSJBDV-LBPRGKRZSA-N 0 1 330.392 1.586 20 5 EDBDMN Cc1c(Br)c(N(C)Cc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000347413851 143318356 /nfs/dbraw/zinc/31/83/56/143318356.db2.gz NREICJHGKILXBJ-UHFFFAOYSA-N 0 1 327.142 1.815 20 5 EDBDMN CCNc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347776002 143361844 /nfs/dbraw/zinc/36/18/44/143361844.db2.gz QFXFRCIJYQKXOL-HOTGVXAUSA-N 0 1 348.403 1.572 20 5 EDBDMN COC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000353000829 149247617 /nfs/dbraw/zinc/24/76/17/149247617.db2.gz NJPRMRNDYZRIQR-UHFFFAOYSA-N 0 1 335.360 1.633 20 5 EDBDMN COC(=O)COc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354921761 150033262 /nfs/dbraw/zinc/03/32/62/150033262.db2.gz AJIFMDRWMOXKHC-BXUZGUMPSA-N 0 1 338.360 1.349 20 5 EDBDMN CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000355387163 150246964 /nfs/dbraw/zinc/24/69/64/150246964.db2.gz SMBMJVROGNPGCH-GJZGRUSLSA-N 0 1 335.360 1.236 20 5 EDBDMN COc1cc(OCC(=O)NCCN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000358080935 151263708 /nfs/dbraw/zinc/26/37/08/151263708.db2.gz QNWPDBVCRQBMHT-UHFFFAOYSA-N 0 1 349.387 1.750 20 5 EDBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000360467661 152057024 /nfs/dbraw/zinc/05/70/24/152057024.db2.gz GCRBTVXMXGYYNA-OLZOCXBDSA-N 0 1 341.433 1.973 20 5 EDBDMN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655642 152141071 /nfs/dbraw/zinc/14/10/71/152141071.db2.gz ZBALNCNFANLWKN-NWDGAFQWSA-N 0 1 327.406 1.664 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000360663627 152145166 /nfs/dbraw/zinc/14/51/66/152145166.db2.gz DUHMPHZNLZTUNZ-QWRGUYRKSA-N 0 1 343.405 1.364 20 5 EDBDMN Cn1nc2c(c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCCC2 ZINC000360805412 152212646 /nfs/dbraw/zinc/21/26/46/152212646.db2.gz XVGFEYXCDJTYLI-UHFFFAOYSA-N 0 1 330.344 1.843 20 5 EDBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000364137579 153153350 /nfs/dbraw/zinc/15/33/50/153153350.db2.gz RERQTQKSUALTGU-JTQLQIEISA-N 0 1 349.322 1.637 20 5 EDBDMN COc1cccc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccn2)c1 ZINC000364211596 153175168 /nfs/dbraw/zinc/17/51/68/153175168.db2.gz BSSAKXUUVZUDKE-IMJJTQAJSA-N 0 1 327.340 1.961 20 5 EDBDMN O=C(NCC1([NH+]2CCOCC2)CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371827918 156127457 /nfs/dbraw/zinc/12/74/57/156127457.db2.gz BGCWVGLLDPMDRB-UHFFFAOYSA-N 0 1 349.387 1.675 20 5 EDBDMN CN(C)c1noc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000374548999 157325372 /nfs/dbraw/zinc/32/53/72/157325372.db2.gz CVVKDPFXVMQNLB-LLVKDONJSA-N 0 1 335.368 1.120 20 5 EDBDMN CCN(CC)CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000352327084 162119509 /nfs/dbraw/zinc/11/95/09/162119509.db2.gz UCXWISJJVFZNAA-UHFFFAOYSA-N 0 1 344.437 1.268 20 5 EDBDMN CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352551553 162247215 /nfs/dbraw/zinc/24/72/15/162247215.db2.gz OIMCMUYFEWKOHR-GFCCVEGCSA-N 0 1 329.422 1.994 20 5 EDBDMN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000364324360 162325023 /nfs/dbraw/zinc/32/50/23/162325023.db2.gz MMGMZRBEOZBTGU-LLVKDONJSA-N 0 1 335.324 1.233 20 5 EDBDMN COc1ccc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2nccn2C)cc1 ZINC000364458438 162329639 /nfs/dbraw/zinc/32/96/39/162329639.db2.gz YNNMZIRJYLSATM-MJBXVCDLSA-N 0 1 330.344 1.300 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000273487947 268050826 /nfs/dbraw/zinc/05/08/26/268050826.db2.gz WCSAOQONNPMKFH-CYBMUJFWSA-N 0 1 341.433 1.664 20 5 EDBDMN COCCO[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000275461842 268346302 /nfs/dbraw/zinc/34/63/02/268346302.db2.gz QZIGTJFRGUWYHN-SNVBAGLBSA-N 0 1 326.353 1.319 20 5 EDBDMN CC(C)n1nccc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000280755635 273394464 /nfs/dbraw/zinc/39/44/64/273394464.db2.gz DCFCVLBYNOQUFZ-JKSUJKDBSA-N 0 1 334.376 1.556 20 5 EDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC2CCOCC2)c1 ZINC000281125718 273439235 /nfs/dbraw/zinc/43/92/35/273439235.db2.gz IAAZPNBGOVJEHV-UHFFFAOYSA-N 0 1 338.744 1.845 20 5 EDBDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000284707094 274301889 /nfs/dbraw/zinc/30/18/89/274301889.db2.gz ZNSVHPMFWXWVQY-MFKMUULPSA-N 0 1 331.332 1.624 20 5 EDBDMN COC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285174281 274474701 /nfs/dbraw/zinc/47/47/01/274474701.db2.gz QNBGWJBYGGCGPJ-YFKPBYRVSA-N 0 1 340.716 1.227 20 5 EDBDMN CCN(CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000102184157 276130681 /nfs/dbraw/zinc/13/06/81/276130681.db2.gz OPVMYZHREOYZEA-UHFFFAOYSA-N 0 1 327.406 1.499 20 5 EDBDMN CN1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332348354 277179537 /nfs/dbraw/zinc/17/95/37/277179537.db2.gz YWABBUVAGRXVTE-CHWSQXEVSA-N 0 1 339.779 1.793 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2nncn2C)c1[N+](=O)[O-] ZINC000271057602 278000022 /nfs/dbraw/zinc/00/00/22/278000022.db2.gz YYVAUXMVCRLJQH-SECBINFHSA-N 0 1 333.352 1.547 20 5 EDBDMN COC(=O)c1cc(C)nc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000287444524 288239777 /nfs/dbraw/zinc/23/97/77/288239777.db2.gz VJNMSOOVKVGLMO-LBPRGKRZSA-N 0 1 332.360 1.535 20 5 EDBDMN 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Cc1ccc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278757491 443427254 /nfs/dbraw/zinc/42/72/54/443427254.db2.gz XNCRZTOPUUUDJW-STQMWFEESA-N 0 1 336.392 1.822 20 5 EDBDMN C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000273020567 443520872 /nfs/dbraw/zinc/52/08/72/443520872.db2.gz BWVULDWKEXHVMH-IUODEOHRSA-N 0 1 341.433 1.250 20 5 EDBDMN Cc1nc(CCN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000272947503 443497901 /nfs/dbraw/zinc/49/79/01/443497901.db2.gz PCRYNGFIRIVOTF-GFCCVEGCSA-N 0 1 336.348 1.200 20 5 EDBDMN CCOc1cc(N2CCN(C(=O)c3ccn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000279805259 443630933 /nfs/dbraw/zinc/63/09/33/443630933.db2.gz NAYTVHWTGKKLFW-UHFFFAOYSA-N 0 1 345.359 1.679 20 5 EDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCc2[nH]ncc21 ZINC000283456235 443638065 /nfs/dbraw/zinc/63/80/65/443638065.db2.gz FLEKLUBAAYSTHZ-UHFFFAOYSA-N 0 1 326.309 1.599 20 5 EDBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000439001162 320038044 /nfs/dbraw/zinc/03/80/44/320038044.db2.gz BTOWYUMEHJQDEY-UHFFFAOYSA-N 0 1 327.260 1.128 20 5 EDBDMN CN1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453013752 320258085 /nfs/dbraw/zinc/25/80/85/320258085.db2.gz TZZKRSMGZOMJNW-HIFRSBDPSA-N 0 1 331.372 1.720 20 5 EDBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280225072 443678045 /nfs/dbraw/zinc/67/80/45/443678045.db2.gz APQYRZNFAMXSHZ-MGPLVRAMSA-N 0 1 345.359 1.903 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000276473025 443717898 /nfs/dbraw/zinc/71/78/98/443717898.db2.gz ZEOCUOGRTHKLNN-CYBMUJFWSA-N 0 1 335.408 1.579 20 5 EDBDMN COc1ccc(NC(=O)N2CCOC[C@@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000284700924 443783887 /nfs/dbraw/zinc/78/38/87/443783887.db2.gz BTOSZEDVOHAPEY-LLVKDONJSA-N 0 1 348.319 1.327 20 5 EDBDMN NC(=O)[C@@H]1CCCN1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276569341 443750398 /nfs/dbraw/zinc/75/03/98/443750398.db2.gz HHSNNZFSFYRWST-AWEZNQCLSA-N 0 1 343.387 1.895 20 5 EDBDMN Cc1c([C@H](C)NCCNS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000277110392 443915384 /nfs/dbraw/zinc/91/53/84/443915384.db2.gz MJIXKIXUGQPRHQ-LBPRGKRZSA-N 0 1 344.437 1.386 20 5 EDBDMN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277727271 444033919 /nfs/dbraw/zinc/03/39/19/444033919.db2.gz JQHHENOSYWOGDZ-RYUDHWBXSA-N 0 1 339.396 1.636 20 5 EDBDMN Cc1noc(C)c1CN1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000299448610 444049408 /nfs/dbraw/zinc/04/94/08/444049408.db2.gz POETTZNOLHANON-UHFFFAOYSA-N 0 1 348.363 1.189 20 5 EDBDMN CCC(CC)c1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000564853103 321151464 /nfs/dbraw/zinc/15/14/64/321151464.db2.gz AJXXXEGVGRVHTM-CYBMUJFWSA-N 0 1 337.380 1.834 20 5 EDBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571217580 321377451 /nfs/dbraw/zinc/37/74/51/321377451.db2.gz KYJSUVXFVJBWMP-OCCSQVGLSA-N 0 1 340.376 1.766 20 5 EDBDMN CCc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000286011360 444175744 /nfs/dbraw/zinc/17/57/44/444175744.db2.gz ZOKFLBSABZMWLP-HOTGVXAUSA-N 0 1 333.388 1.702 20 5 EDBDMN Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040366 444201834 /nfs/dbraw/zinc/20/18/34/444201834.db2.gz WEFNGADLJYNRIP-HOTGVXAUSA-N 0 1 328.372 1.971 20 5 EDBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000580209605 322024239 /nfs/dbraw/zinc/02/42/39/322024239.db2.gz CSVWSRFXUXQISE-ZDUSSCGKSA-N 0 1 343.387 1.845 20 5 EDBDMN O=C([O-])C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000580315278 322036315 /nfs/dbraw/zinc/03/63/15/322036315.db2.gz BADMPCZATGSRNI-UHFFFAOYSA-N 0 1 348.281 1.605 20 5 EDBDMN C[C@H](NCC(=O)N(C)Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000581865778 322225038 /nfs/dbraw/zinc/22/50/38/322225038.db2.gz OTKHIGWCYQPNBY-LBPRGKRZSA-N 0 1 331.376 1.638 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](OCCOC)C2)c1[N+](=O)[O-] ZINC000338272842 444603270 /nfs/dbraw/zinc/60/32/70/444603270.db2.gz WEMNTMOLNVZRDO-NSHDSACASA-N 0 1 340.380 1.538 20 5 EDBDMN O=C1NCc2c1cccc2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000340983020 444614254 /nfs/dbraw/zinc/61/42/54/444614254.db2.gz RFDQMQAPQIDNGG-UHFFFAOYSA-N 0 1 333.325 1.639 20 5 EDBDMN CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000342297839 444618178 /nfs/dbraw/zinc/61/81/78/444618178.db2.gz YNBTYFKNKSPBSD-KEUSVDHNSA-N 0 1 326.374 1.672 20 5 EDBDMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341365091 444796953 /nfs/dbraw/zinc/79/69/53/444796953.db2.gz QSCSJMAGRTVGAG-NSHDSACASA-N 0 1 342.359 1.917 20 5 EDBDMN CNC(=O)N[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000341548330 444888214 /nfs/dbraw/zinc/88/82/14/444888214.db2.gz UUTXFJOXVFEDLP-LLVKDONJSA-N 0 1 329.360 1.959 20 5 EDBDMN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000344373065 444927111 /nfs/dbraw/zinc/92/71/11/444927111.db2.gz GKABYYGHZPAGFI-CABZTGNLSA-N 0 1 340.286 1.285 20 5 EDBDMN CCN1C[C@@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000344414606 444951667 /nfs/dbraw/zinc/95/16/67/444951667.db2.gz FKCYMSKQKPJEND-GHMZBOCLSA-N 0 1 335.360 1.878 20 5 EDBDMN CC(C)(C)c1nc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2[nH]1 ZINC000342918842 444941650 /nfs/dbraw/zinc/94/16/50/444941650.db2.gz FGNRAOBXHFCOQN-UHFFFAOYSA-N 0 1 343.347 1.999 20 5 EDBDMN CNC(=O)c1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000337273931 445012002 /nfs/dbraw/zinc/01/20/02/445012002.db2.gz FFFREJMNHKCUCR-UHFFFAOYSA-N 0 1 329.312 1.590 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1C[C@H](OC)CN1C ZINC000344543355 445047176 /nfs/dbraw/zinc/04/71/76/445047176.db2.gz VXWDFMMPFIXJJZ-OLZOCXBDSA-N 0 1 337.376 1.395 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000341884141 445052105 /nfs/dbraw/zinc/05/21/05/445052105.db2.gz ADPCJIIKBXJUOX-YUMQZZPRSA-N 0 1 336.270 1.259 20 5 EDBDMN COc1ccc(OCCN2C[C@@H](OC)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000344669284 445116986 /nfs/dbraw/zinc/11/69/86/445116986.db2.gz BHUSEUACFOMGKQ-YPMHNXCESA-N 0 1 326.349 1.064 20 5 EDBDMN CO[C@H]1C[C@H](c2nnc[nH]2)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000343215723 445143573 /nfs/dbraw/zinc/14/35/73/445143573.db2.gz BOLLFJLGVPBCAJ-NWDGAFQWSA-N 0 1 332.320 1.707 20 5 EDBDMN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000343430097 445221242 /nfs/dbraw/zinc/22/12/42/445221242.db2.gz JFIZWDODRIMALG-ZYHUDNBSSA-N 0 1 337.376 1.825 20 5 EDBDMN COC(=O)C[C@@](C)(NCCn1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000351813711 445330298 /nfs/dbraw/zinc/33/02/98/445330298.db2.gz IBSZMICJNUHKFT-OAHLLOKOSA-N 0 1 333.348 1.254 20 5 EDBDMN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000354702229 445345685 /nfs/dbraw/zinc/34/56/85/445345685.db2.gz GDAMYIQEXBSKOJ-SSDOTTSWSA-N 0 1 344.315 1.821 20 5 EDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]nnc2C1 ZINC000359761275 445413448 /nfs/dbraw/zinc/41/34/48/445413448.db2.gz JEWDRAGJRAVUIF-VIFPVBQESA-N 0 1 333.373 1.778 20 5 EDBDMN COc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000357044337 445391944 /nfs/dbraw/zinc/39/19/44/445391944.db2.gz HJGVULVLIWBHRN-LLVKDONJSA-N 0 1 335.360 1.579 20 5 EDBDMN Cn1nccc1N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000359809917 445439843 /nfs/dbraw/zinc/43/98/43/445439843.db2.gz UHJSNMDBPLHYTP-CQSZACIVSA-N 0 1 329.360 1.614 20 5 EDBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)ccc1[N+](=O)[O-] ZINC000359970086 445509093 /nfs/dbraw/zinc/50/90/93/445509093.db2.gz KCSGUVLXUCOLCX-UHFFFAOYSA-N 0 1 347.352 1.947 20 5 EDBDMN CCc1nnc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000357234274 445498004 /nfs/dbraw/zinc/49/80/04/445498004.db2.gz NWMIHYJGUMBMIN-UHFFFAOYSA-N 0 1 340.361 1.636 20 5 EDBDMN C[C@@](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000355992580 445561450 /nfs/dbraw/zinc/56/14/50/445561450.db2.gz RUTKYVARQJJCDB-INIZCTEOSA-N 0 1 329.312 1.431 20 5 EDBDMN O=C(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)NCc1ccco1 ZINC000362824904 445566878 /nfs/dbraw/zinc/56/68/78/445566878.db2.gz CGXFRYSOSRAPQG-UHFFFAOYSA-N 0 1 343.299 1.966 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1[N+](=O)[O-] ZINC000363082489 445670885 /nfs/dbraw/zinc/67/08/85/445670885.db2.gz VQFKUPQAGYJSPZ-OLZOCXBDSA-N 0 1 349.391 1.496 20 5 EDBDMN NC(=O)COc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356313338 445730587 /nfs/dbraw/zinc/73/05/87/445730587.db2.gz NGYULASDJGTXHN-UHFFFAOYSA-N 0 1 331.284 1.417 20 5 EDBDMN Cc1[nH]nc(C(=O)N(C)Cc2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000358738931 445751906 /nfs/dbraw/zinc/75/19/06/445751906.db2.gz TXKUTWRGSKDYKL-UHFFFAOYSA-N 0 1 328.332 1.785 20 5 EDBDMN Cc1cc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc([N+](=O)[O-])c1N ZINC000363469639 445816970 /nfs/dbraw/zinc/81/69/70/445816970.db2.gz CVBDFLARBSTJHX-STQMWFEESA-N 0 1 346.343 1.766 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000356500972 445825736 /nfs/dbraw/zinc/82/57/36/445825736.db2.gz APSIVYASNWYRFI-HNNXBMFYSA-N 0 1 341.323 1.614 20 5 EDBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000356478880 445813372 /nfs/dbraw/zinc/81/33/72/445813372.db2.gz MLYBUGGVYGXMHH-LBPRGKRZSA-N 0 1 349.416 1.957 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CN2CCc3ccccc32)CC1 ZINC000369159648 445961241 /nfs/dbraw/zinc/96/12/41/445961241.db2.gz AEWFRSJPAMKUMK-WBVHZDCISA-N 0 1 329.400 1.953 20 5 EDBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nnc[nH]1 ZINC000354180380 445975420 /nfs/dbraw/zinc/97/54/20/445975420.db2.gz ODKCRGTZFBMJDM-UHFFFAOYSA-N 0 1 333.351 1.589 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000369253622 446024944 /nfs/dbraw/zinc/02/49/44/446024944.db2.gz YGIZKHSLVKZCBX-LLVKDONJSA-N 0 1 349.391 1.497 20 5 EDBDMN CCc1n[nH]c(C(=O)N2CCC[C@@H]2Cn2ccnc2CC)c1[N+](=O)[O-] ZINC000373072602 446008115 /nfs/dbraw/zinc/00/81/15/446008115.db2.gz YGSQDPNFFORLFK-LLVKDONJSA-N 0 1 346.391 1.944 20 5 EDBDMN COCC[C@]1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000584093008 326196707 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EDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000420315265 446479765 /nfs/dbraw/zinc/47/97/65/446479765.db2.gz WTSZJNXBSVLALT-GOEBONIOSA-N 0 1 346.431 1.860 20 5 EDBDMN Cc1cc(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411400885 446519014 /nfs/dbraw/zinc/51/90/14/446519014.db2.gz VRXXDSCSFATLHR-GFCCVEGCSA-N 0 1 334.376 1.394 20 5 EDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375042368 446537374 /nfs/dbraw/zinc/53/73/74/446537374.db2.gz SHQCEVZKVLLZLB-OCCSQVGLSA-N 0 1 339.417 1.618 20 5 EDBDMN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420454687 446632665 /nfs/dbraw/zinc/63/26/65/446632665.db2.gz WOADPPBRQURPLE-IUCAKERBSA-N 0 1 333.797 1.654 20 5 EDBDMN CCC[C@H]1CNCCN1C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418776279 446693571 /nfs/dbraw/zinc/69/35/71/446693571.db2.gz GBFRLMVFZCKGNS-DOMZBBRYSA-N 0 1 348.403 1.373 20 5 EDBDMN CC[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1CCOC ZINC000420592533 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CC(C)c1n[nH]c(C(=O)NC2(c3nn[nH]n3)CCCC2)c1[N+](=O)[O-] ZINC000433771894 446597453 /nfs/dbraw/zinc/59/74/53/446597453.db2.gz ACQDHTUUDXYZLK-UHFFFAOYSA-N 0 1 334.340 1.154 20 5 EDBDMN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420774148 446811562 /nfs/dbraw/zinc/81/15/62/446811562.db2.gz YCEBWSDCLMXLDI-LBPRGKRZSA-N 0 1 327.406 1.618 20 5 EDBDMN O=Cc1ccc(OCC(=O)N[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000371442678 446859708 /nfs/dbraw/zinc/85/97/08/446859708.db2.gz KMJUPSFQZSUOCA-LLVKDONJSA-N 0 1 344.327 1.183 20 5 EDBDMN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1CCO ZINC000419007113 446862360 /nfs/dbraw/zinc/86/23/60/446862360.db2.gz TUSTXYBXTCVVKC-UWVGGRQHSA-N 0 1 337.405 1.491 20 5 EDBDMN C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)CCO1 ZINC000368449404 446869718 /nfs/dbraw/zinc/86/97/18/446869718.db2.gz LBEGKBUWBHPWPY-LBPRGKRZSA-N 0 1 349.387 1.626 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000377030383 446871123 /nfs/dbraw/zinc/87/11/23/446871123.db2.gz OPBWBUUVXXRKCT-NXEZZACHSA-N 0 1 344.293 1.867 20 5 EDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000377030388 446872045 /nfs/dbraw/zinc/87/20/45/446872045.db2.gz OPBWBUUVXXRKCT-UWVGGRQHSA-N 0 1 344.293 1.867 20 5 EDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000368652378 447006886 /nfs/dbraw/zinc/00/68/86/447006886.db2.gz LAILJZVGZVABEB-JKSUJKDBSA-N 0 1 333.388 1.195 20 5 EDBDMN Cc1nn(CCC(=O)N2C[C@H]3CCCCN3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658575 447012088 /nfs/dbraw/zinc/01/20/88/447012088.db2.gz MDXXJNUBZPAKMF-IUODEOHRSA-N 0 1 349.435 1.883 20 5 EDBDMN O=[N+]([O-])c1c(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc2sccn21 ZINC000375771810 447037216 /nfs/dbraw/zinc/03/72/16/447037216.db2.gz KWHFDSGPRYACAV-GHMZBOCLSA-N 0 1 337.405 1.339 20 5 EDBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000425215829 447067698 /nfs/dbraw/zinc/06/76/98/447067698.db2.gz OTSYVZBPXVTQTF-LLVKDONJSA-N 0 1 337.361 1.032 20 5 EDBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000419345325 447111898 /nfs/dbraw/zinc/11/18/98/447111898.db2.gz TXKJWZNFRNFFIX-WDEREUQCSA-N 0 1 329.347 1.760 20 5 EDBDMN COC(=O)COc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421372716 447144171 /nfs/dbraw/zinc/14/41/71/447144171.db2.gz LPEXWATZBAELBQ-DGCLKSJQSA-N 0 1 338.360 1.492 20 5 EDBDMN COC(=O)COc1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421372715 447144372 /nfs/dbraw/zinc/14/43/72/447144372.db2.gz LPEXWATZBAELBQ-AAEUAGOBSA-N 0 1 338.360 1.492 20 5 EDBDMN COC(=O)c1cn([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368851579 447158722 /nfs/dbraw/zinc/15/87/22/447158722.db2.gz AFRAJMCUCUOSHD-ZDUSSCGKSA-N 0 1 345.359 1.728 20 5 EDBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCNC1=O ZINC000368891596 447184421 /nfs/dbraw/zinc/18/44/21/447184421.db2.gz HBVNQDXPWMWEJC-LBPRGKRZSA-N 0 1 331.332 1.212 20 5 EDBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000377607388 447240342 /nfs/dbraw/zinc/24/03/42/447240342.db2.gz PAKFPHNWDMJSDK-NEPJUHHUSA-N 0 1 334.376 1.428 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369037632 447282716 /nfs/dbraw/zinc/28/27/16/447282716.db2.gz ZGHDIBINNYDIEW-CVEARBPZSA-N 0 1 348.403 1.966 20 5 EDBDMN Cc1cc(S(=O)(=O)NC[C@H]2CCCN2C)c(C)cc1[N+](=O)[O-] ZINC000416383243 447587404 /nfs/dbraw/zinc/58/74/04/447587404.db2.gz DPLMJDATHUGLMV-GFCCVEGCSA-N 0 1 327.406 1.584 20 5 EDBDMN Cc1cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416384099 447588011 /nfs/dbraw/zinc/58/80/11/447588011.db2.gz IIZBVIAPGRIKIN-GFCCVEGCSA-N 0 1 341.433 1.973 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)Cc2nnc[nH]2)c(C)cc1[N+](=O)[O-] ZINC000416478186 447617232 /nfs/dbraw/zinc/61/72/32/447617232.db2.gz ZCTWHFLVIWPAJA-UHFFFAOYSA-N 0 1 325.350 1.150 20 5 EDBDMN NC(=O)c1ccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459686915 447739590 /nfs/dbraw/zinc/73/95/90/447739590.db2.gz VPJKNCKUJDFQOE-ZFWWWQNUSA-N 0 1 331.372 1.695 20 5 EDBDMN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451863280 447766378 /nfs/dbraw/zinc/76/63/78/447766378.db2.gz FMNTWDKDWGJJIE-OCCSQVGLSA-N 0 1 325.390 1.061 20 5 EDBDMN CCc1ccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000569841406 447904503 /nfs/dbraw/zinc/90/45/03/447904503.db2.gz XPYDLIWGAOSADO-QMMMGPOBSA-N 0 1 339.377 1.623 20 5 EDBDMN O=C(OCc1ccccc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496896276 448013634 /nfs/dbraw/zinc/01/36/34/448013634.db2.gz XBTDADFWMQQVCE-ZIAGYGMSSA-N 0 1 333.344 1.133 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000554144400 448014146 /nfs/dbraw/zinc/01/41/46/448014146.db2.gz NGBSJCCPDRYPAH-JTQLQIEISA-N 0 1 335.364 1.107 20 5 EDBDMN COc1ccc(CC(=O)NCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000570670804 448045589 /nfs/dbraw/zinc/04/55/89/448045589.db2.gz RYLLRBUADHIGAC-UHFFFAOYSA-N 0 1 333.348 1.704 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(-c3ccccc3)on2)c1 ZINC000591732841 448474922 /nfs/dbraw/zinc/47/49/22/448474922.db2.gz WAVORFSAAITHCC-OAHLLOKOSA-N 0 1 343.343 1.597 20 5 EDBDMN CCc1ccc(S(=O)(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000584527397 448557040 /nfs/dbraw/zinc/55/70/40/448557040.db2.gz JVDQEVHYFGWYGT-UHFFFAOYSA-N 0 1 339.417 1.697 20 5 EDBDMN CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n[nH]1 ZINC000567125754 448619796 /nfs/dbraw/zinc/61/97/96/448619796.db2.gz MSYPVBFUPJYRMA-UHFFFAOYSA-N 0 1 347.331 1.538 20 5 EDBDMN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC(C)C1 ZINC000573624081 448674295 /nfs/dbraw/zinc/67/42/95/448674295.db2.gz SOYBOVKTWIDQJK-CHWSQXEVSA-N 0 1 333.392 1.343 20 5 EDBDMN C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540141176 448632131 /nfs/dbraw/zinc/63/21/31/448632131.db2.gz FUEPSCJXKKNKKO-NSHDSACASA-N 0 1 329.422 1.963 20 5 EDBDMN O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc([C@H]2CCCN2)no1 ZINC000592356986 448804506 /nfs/dbraw/zinc/80/45/06/448804506.db2.gz OTIREZWXWOEQKZ-SNVBAGLBSA-N 0 1 345.315 1.328 20 5 EDBDMN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592380393 448812892 /nfs/dbraw/zinc/81/28/92/448812892.db2.gz UXDQMSDDUZSQCZ-LLVKDONJSA-N 0 1 347.824 1.867 20 5 EDBDMN CSCC[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579592342 448829212 /nfs/dbraw/zinc/82/92/12/448829212.db2.gz PUZRTCHSZKZCBK-NSHDSACASA-N 0 1 348.446 1.072 20 5 EDBDMN CN1C[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000589930222 449085100 /nfs/dbraw/zinc/08/51/00/449085100.db2.gz UXXWHJNHLDDSBB-OCCSQVGLSA-N 0 1 325.390 1.061 20 5 EDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600008268 449146631 /nfs/dbraw/zinc/14/66/31/449146631.db2.gz MDOLYQDPXJYISZ-UHFFFAOYSA-N 0 1 349.387 1.627 20 5 EDBDMN CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604227423 449195377 /nfs/dbraw/zinc/19/53/77/449195377.db2.gz ABAKIFANDYXKFE-SECBINFHSA-N 0 1 340.767 1.397 20 5 EDBDMN NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611266498 449241226 /nfs/dbraw/zinc/24/12/26/449241226.db2.gz IQNKNLWITNUWQH-INIZCTEOSA-N 0 1 327.340 1.885 20 5 EDBDMN CNC(=O)CN1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456771 449293276 /nfs/dbraw/zinc/29/32/76/449293276.db2.gz GHRRNWMILTZHCH-UHFFFAOYSA-N 0 1 343.387 1.765 20 5 EDBDMN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000596021606 449320921 /nfs/dbraw/zinc/32/09/21/449320921.db2.gz QQQWQFZPIDATLN-QMMMGPOBSA-N 0 1 337.785 1.997 20 5 EDBDMN CC(C)N1CCO[C@H](Cn2cc(-c3ccc([N+](=O)[O-])nc3)cn2)C1 ZINC000600789935 449547125 /nfs/dbraw/zinc/54/71/25/449547125.db2.gz UUNCHWHEONRUSH-HNNXBMFYSA-N 0 1 331.376 1.963 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000600867604 449576514 /nfs/dbraw/zinc/57/65/14/449576514.db2.gz BMKTZVDNWGPUCT-LBPRGKRZSA-N 0 1 335.360 1.524 20 5 EDBDMN C[C@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000594759818 449674986 /nfs/dbraw/zinc/67/49/86/449674986.db2.gz KCNQQIVBOUNDPJ-DGCLKSJQSA-N 0 1 329.378 1.209 20 5 EDBDMN CC[C@H](C[NH+]1CCCC1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762211 449675595 /nfs/dbraw/zinc/67/55/95/449675595.db2.gz FRCSMDVDKZWVIU-LLVKDONJSA-N 0 1 328.394 1.143 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000594769214 449681843 /nfs/dbraw/zinc/68/18/43/449681843.db2.gz DWQXPAZBKVLTAG-LBPRGKRZSA-N 0 1 340.405 1.285 20 5 EDBDMN CC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000594768928 449682425 /nfs/dbraw/zinc/68/24/25/449682425.db2.gz YPNNCWXWDAQYIS-UHFFFAOYSA-N 0 1 333.369 1.826 20 5 EDBDMN C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594815751 449724673 /nfs/dbraw/zinc/72/46/73/449724673.db2.gz BNEBJBKIVVBSAU-SECBINFHSA-N 0 1 335.813 1.867 20 5 EDBDMN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000601161307 449725399 /nfs/dbraw/zinc/72/53/99/449725399.db2.gz GLAJZCVIUVLKNH-RKDXNWHRSA-N 0 1 349.313 1.256 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@H]1C(C)C ZINC000599100086 449732140 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FGKYFGABGGMWSZ-VIFPVBQESA-N 0 1 336.348 1.296 20 5 EDBDMN C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271743065 443512335 /nfs/dbraw/zinc/51/23/35/443512335.db2.gz WTZOVGPQFBFYOI-UONOGXRCSA-N 0 1 349.435 1.591 20 5 EDBDMN C[C@H]1CN2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264967811 443494316 /nfs/dbraw/zinc/49/43/16/443494316.db2.gz OTCWXNLLSUISON-RYUDHWBXSA-N 0 1 339.417 1.671 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000279896233 443636514 /nfs/dbraw/zinc/63/65/14/443636514.db2.gz HSIRAPGGUPGRDO-ZUZCIYMTSA-N 0 1 338.364 1.290 20 5 EDBDMN CS(=O)(=O)c1cccc(NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000450627918 320220744 /nfs/dbraw/zinc/22/07/44/320220744.db2.gz KTAFEKVUDISEAA-UHFFFAOYSA-N 0 1 337.361 1.606 20 5 EDBDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390817 320248838 /nfs/dbraw/zinc/24/88/38/320248838.db2.gz OYSAHGHSYWWUDD-LBPRGKRZSA-N 0 1 325.340 1.311 20 5 EDBDMN O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000280817481 443749657 /nfs/dbraw/zinc/74/96/57/443749657.db2.gz RHTXCTXDQSOJTM-GFCCVEGCSA-N 0 1 335.360 1.095 20 5 EDBDMN O=c1nc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000281052701 443805561 /nfs/dbraw/zinc/80/55/61/443805561.db2.gz QZKDXOMXULKUJX-UHFFFAOYSA-N 0 1 333.348 1.265 20 5 EDBDMN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284983256 443808563 /nfs/dbraw/zinc/80/85/63/443808563.db2.gz YURYWVUPICPEPM-CYBMUJFWSA-N 0 1 337.723 1.100 20 5 EDBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292966779 443891075 /nfs/dbraw/zinc/89/10/75/443891075.db2.gz LYVXHIRVRSGOGF-HNNXBMFYSA-N 0 1 347.375 1.395 20 5 EDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000281227191 443853116 /nfs/dbraw/zinc/85/31/16/443853116.db2.gz RSYDLQZOFUIJEC-QMMMGPOBSA-N 0 1 338.744 1.845 20 5 EDBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000277076140 443903607 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EDBDMN C[C@@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CN1C1CC1 ZINC000569058102 321316130 /nfs/dbraw/zinc/31/61/30/321316130.db2.gz DZNGMLIOBLTHSE-ZJUUUORDSA-N 0 1 340.405 1.279 20 5 EDBDMN COc1cccc([C@H]2C[C@@H](O)CN2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160978 444101722 /nfs/dbraw/zinc/10/17/22/444101722.db2.gz LSJWFTTVRBVZKZ-UKRRQHHQSA-N 0 1 332.360 1.608 20 5 EDBDMN Cc1ccc(C2=NO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])C2)cc1 ZINC000282277487 444135022 /nfs/dbraw/zinc/13/50/22/444135022.db2.gz XXVIEDWVFVOJMH-LLVKDONJSA-N 0 1 329.316 1.549 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285869119 444135834 /nfs/dbraw/zinc/13/58/34/444135834.db2.gz IYBCPBWNOGNHAN-BBRMVZONSA-N 0 1 335.404 1.898 20 5 EDBDMN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000285915351 444151630 /nfs/dbraw/zinc/15/16/30/444151630.db2.gz NONXGPJQQSORIO-LLVKDONJSA-N 0 1 346.343 1.830 20 5 EDBDMN COCc1nc([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000289836484 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/nfs/dbraw/zinc/76/65/45/449766545.db2.gz AIONQGCWSSWWHC-UHFFFAOYSA-N 0 1 328.376 1.740 20 5 EDBDMN CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599234210 449819393 /nfs/dbraw/zinc/81/93/93/449819393.db2.gz GHRJMQGLBQDTGC-LBPRGKRZSA-N 0 1 338.389 1.628 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602828811 449839501 /nfs/dbraw/zinc/83/95/01/449839501.db2.gz UZBIBFDWEWXONS-KRWDZBQOSA-N 0 1 343.431 1.958 20 5 EDBDMN CCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000595101269 449868287 /nfs/dbraw/zinc/86/82/87/449868287.db2.gz CRULANVECVRANE-ZDUSSCGKSA-N 0 1 348.403 1.703 20 5 EDBDMN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000599395483 449940699 /nfs/dbraw/zinc/94/06/99/449940699.db2.gz DQVKLVQOAOMTDT-KRWDZBQOSA-N 0 1 346.387 1.445 20 5 EDBDMN COc1ccc(OCCN2C[C@@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964004 449965858 /nfs/dbraw/zinc/96/58/58/449965858.db2.gz LTIZFPBXMGJDDU-BBRMVZONSA-N 0 1 340.376 1.454 20 5 EDBDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599459339 449992546 /nfs/dbraw/zinc/99/25/46/449992546.db2.gz HIKMTNOKFZWDMH-UOKLYIGXSA-N 0 1 332.353 1.824 20 5 EDBDMN C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609547884 450049008 /nfs/dbraw/zinc/04/90/08/450049008.db2.gz LMTWPUZMUMDCSL-CQSZACIVSA-N 0 1 333.392 1.123 20 5 EDBDMN CN1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609547884 450049011 /nfs/dbraw/zinc/04/90/11/450049011.db2.gz LMTWPUZMUMDCSL-CQSZACIVSA-N 0 1 333.392 1.123 20 5 EDBDMN COc1cccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC000618237279 450089907 /nfs/dbraw/zinc/08/99/07/450089907.db2.gz IRNUBGSOIWTHRH-VIFPVBQESA-N 0 1 332.320 1.136 20 5 EDBDMN Cc1nc(CN2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000609849105 450105284 /nfs/dbraw/zinc/10/52/84/450105284.db2.gz ANTSZCASEDLPCO-LBPRGKRZSA-N 0 1 330.392 1.900 20 5 EDBDMN CCn1cc(S(=O)(=O)Nc2ccnc(C)c2Cl)c([N+](=O)[O-])n1 ZINC000613267564 450108955 /nfs/dbraw/zinc/10/89/55/450108955.db2.gz UMKRRRMSWDLADD-UHFFFAOYSA-N 0 1 345.768 1.391 20 5 EDBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601612161 450111626 /nfs/dbraw/zinc/11/16/26/450111626.db2.gz JZDXHAAVWRJNBB-NSHDSACASA-N 0 1 325.340 1.311 20 5 EDBDMN Cc1noc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[N+](=O)[O-] ZINC000595450191 450151569 /nfs/dbraw/zinc/15/15/69/450151569.db2.gz SEOPEVVXGOXGKE-INIZCTEOSA-N 0 1 328.328 1.987 20 5 EDBDMN C[C@H](C(=O)NC[C@@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624356 450153811 /nfs/dbraw/zinc/15/38/11/450153811.db2.gz HQTBHDMCBUQDDG-XJKSGUPXSA-N 0 1 332.404 1.204 20 5 EDBDMN CCc1nc(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000599655860 450132117 /nfs/dbraw/zinc/13/21/17/450132117.db2.gz YFBCJSVVUPOKSI-OAHLLOKOSA-N 0 1 333.348 1.453 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000599669049 450140730 /nfs/dbraw/zinc/14/07/30/450140730.db2.gz ATQGMYBVMNQIGS-WZRBSPASSA-N 0 1 337.376 1.633 20 5 EDBDMN C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597695084 450202877 /nfs/dbraw/zinc/20/28/77/450202877.db2.gz PWASCSRSMLGOHR-KGLIPLIRSA-N 0 1 335.360 1.236 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(OCCCO)CC2)c1[N+](=O)[O-] ZINC000610924310 450381347 /nfs/dbraw/zinc/38/13/47/450381347.db2.gz MUDOSHDBSNVUQN-UHFFFAOYSA-N 0 1 340.380 1.445 20 5 EDBDMN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nnc[nH]1 ZINC000176744982 533766439 /nfs/dbraw/zinc/76/64/39/533766439.db2.gz GROUEKOCMFCHTI-VIFPVBQESA-N 0 1 327.304 1.390 20 5 EDBDMN C[C@@H]1NC(=O)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282255837 518180853 /nfs/dbraw/zinc/18/08/53/518180853.db2.gz GVWUXPKITWSXSW-WCBMZHEXSA-N 0 1 340.767 1.443 20 5 EDBDMN Nc1ccncc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188107220 534743667 /nfs/dbraw/zinc/74/36/67/534743667.db2.gz POQAAFBXSQBDAP-UHFFFAOYSA-N 0 1 327.344 1.534 20 5 EDBDMN CCCOC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000267528210 535215039 /nfs/dbraw/zinc/21/50/39/535215039.db2.gz JDCCDMNQTPKJHE-UHFFFAOYSA-N 0 1 334.325 1.356 20 5 EDBDMN COC[C@@H](CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353149014 536637522 /nfs/dbraw/zinc/63/75/22/536637522.db2.gz HBOGUKHRVPUOKX-LLVKDONJSA-N 0 1 336.344 1.960 20 5 EDBDMN O=[N+]([O-])c1ccc(Cl)c(CNCC2(O)CCS(=O)(=O)CC2)c1 ZINC000741261969 579406091 /nfs/dbraw/zinc/40/60/91/579406091.db2.gz SRVWPECXGVIEEI-UHFFFAOYSA-N 0 1 348.808 1.278 20 5 EDBDMN CC[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)N(CC)CC ZINC000761403854 580056742 /nfs/dbraw/zinc/05/67/42/580056742.db2.gz MVXBYZCBCRVBRJ-CYBMUJFWSA-N 0 1 325.365 1.420 20 5 EDBDMN C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCN(C(=O)[O-])CC1 ZINC000739704105 579239048 /nfs/dbraw/zinc/23/90/48/579239048.db2.gz IDXQEYZAXZSWQW-UHFFFAOYSA-N 0 1 336.392 1.365 20 5 EDBDMN C[C@@H]1CCN(CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000745942247 579568067 /nfs/dbraw/zinc/56/80/67/579568067.db2.gz CAZJQHQMQUNNGW-SNVBAGLBSA-N 0 1 331.369 1.354 20 5 EDBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(CCCOC(C)(C)C)CC1 ZINC000756797144 579957143 /nfs/dbraw/zinc/95/71/43/579957143.db2.gz CTKPWNOZSAXNGV-UHFFFAOYSA-N 0 1 325.413 1.656 20 5 EDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000765972788 580155511 /nfs/dbraw/zinc/15/55/11/580155511.db2.gz TUNSZVDTUOHARY-LBPRGKRZSA-N 0 1 334.332 1.592 20 5 EDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCN(CC(F)F)CC2)cc1 ZINC000776597261 580423499 /nfs/dbraw/zinc/42/34/99/580423499.db2.gz IOJUSKRQFLEYRQ-AWEZNQCLSA-N 0 1 329.347 1.901 20 5 EDBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000779507776 580487400 /nfs/dbraw/zinc/48/74/00/580487400.db2.gz DXNWEGZXQSOWII-UHFFFAOYSA-N 0 1 338.327 1.892 20 5 EDBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000779507776 580487401 /nfs/dbraw/zinc/48/74/01/580487401.db2.gz DXNWEGZXQSOWII-UHFFFAOYSA-N 0 1 338.327 1.892 20 5 EDBDMN Cc1[nH]nc(C(=O)N(CCO)Cc2cccnc2Cl)c1[N+](=O)[O-] ZINC000794324900 580886829 /nfs/dbraw/zinc/88/68/29/580886829.db2.gz YMRVIXUELINALB-UHFFFAOYSA-N 0 1 339.739 1.309 20 5 EDBDMN COC(=O)c1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891295575 591035482 /nfs/dbraw/zinc/03/54/82/591035482.db2.gz FBKOYCPBBCFDER-PSASIEDQSA-N 0 1 343.133 1.839 20 5 EDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840671893 591263020 /nfs/dbraw/zinc/26/30/20/591263020.db2.gz DSFXPTLMAJPGPL-AVPPRXQKSA-N 0 1 348.271 1.914 20 5 EDBDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC000896536071 591501050 /nfs/dbraw/zinc/50/10/50/591501050.db2.gz UXVFHBKPZHQWDZ-VJUNAUMWSA-N 0 1 346.431 1.449 20 5 EDBDMN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896539224 591502123 /nfs/dbraw/zinc/50/21/23/591502123.db2.gz KRWAKHJGTCCHIH-XJKSGUPXSA-N 0 1 348.447 1.623 20 5 EDBDMN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000896539224 591502126 /nfs/dbraw/zinc/50/21/26/591502126.db2.gz KRWAKHJGTCCHIH-XJKSGUPXSA-N 0 1 348.447 1.623 20 5 EDBDMN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CN(C)CCN1C ZINC000896570870 591531376 /nfs/dbraw/zinc/53/13/76/591531376.db2.gz FWDAMOVDYXDJJP-MEDUHNTESA-N 0 1 345.403 1.440 20 5 EDBDMN CCC1([NH+]2CCC2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000899559458 591850304 /nfs/dbraw/zinc/85/03/04/591850304.db2.gz SISOSYYIZZUCJJ-UHFFFAOYSA-N 0 1 334.376 1.786 20 5 EDBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CN(C)CCN1C ZINC000900801822 592143096 /nfs/dbraw/zinc/14/30/96/592143096.db2.gz DZDJDJZYLBEQSY-GXFFZTMASA-N 0 1 340.811 1.612 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCN2CCC3)c1C ZINC000908026684 592271991 /nfs/dbraw/zinc/27/19/91/592271991.db2.gz ATZGGZJQEXNQRF-CQSZACIVSA-N 0 1 332.404 1.331 20 5 EDBDMN CN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000912031375 593050341 /nfs/dbraw/zinc/05/03/41/593050341.db2.gz UCNQHJPQCHTDKY-ZDUSSCGKSA-N 0 1 337.424 1.715 20 5 EDBDMN COC(=O)c1cc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cc([N+](=O)[O-])c1 ZINC000840012998 593351535 /nfs/dbraw/zinc/35/15/35/593351535.db2.gz CJPSSDWQDXRJFX-SSDOTTSWSA-N 0 1 334.288 1.726 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)Cc1ccc(Br)s1 ZINC000839733301 593370835 /nfs/dbraw/zinc/37/08/35/593370835.db2.gz HWMVZYUTDGUHPM-RKDXNWHRSA-N 0 1 349.206 1.497 20 5 EDBDMN COC(=O)[C@@H]1CN(C)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839630864 593355395 /nfs/dbraw/zinc/35/53/95/593355395.db2.gz QEGYIVYPJZDAKF-GFCCVEGCSA-N 0 1 341.795 1.785 20 5 EDBDMN COc1cccc([C@H](C)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000839655073 593357984 /nfs/dbraw/zinc/35/79/84/593357984.db2.gz QUPAIYVPPAMWLQ-APHBMKBZSA-N 0 1 333.388 1.566 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000839719309 593373629 /nfs/dbraw/zinc/37/36/29/593373629.db2.gz XZYVPKXUMIKEIE-ZIAGYGMSSA-N 0 1 330.340 1.739 20 5 EDBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)COC2CCOCC2)c1 ZINC000819151446 593741619 /nfs/dbraw/zinc/74/16/19/593741619.db2.gz ZFPAAKRRQOHPPL-ZDUSSCGKSA-N 0 1 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CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)c1[N+](=O)[O-] ZINC000368938691 447214428 /nfs/dbraw/zinc/21/44/28/447214428.db2.gz OMNCKLRGMOHMMX-SNVBAGLBSA-N 0 1 334.336 1.939 20 5 EDBDMN CCc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000372732861 447254145 /nfs/dbraw/zinc/25/41/45/447254145.db2.gz SJHZPKRANYFOKQ-ZDUSSCGKSA-N 0 1 335.404 1.686 20 5 EDBDMN CCc1ccc(C(=O)N2CCCN([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000372732861 447254152 /nfs/dbraw/zinc/25/41/52/447254152.db2.gz SJHZPKRANYFOKQ-ZDUSSCGKSA-N 0 1 335.404 1.686 20 5 EDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000372794831 447287612 /nfs/dbraw/zinc/28/76/12/447287612.db2.gz DGHKETOVMNHGEM-YNEHKIRRSA-N 0 1 341.408 1.900 20 5 EDBDMN Cc1c(CNC(=O)NCc2n[nH]c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000458691213 447454167 /nfs/dbraw/zinc/45/41/67/447454167.db2.gz LYANLHQVBQKJAB-UHFFFAOYSA-N 0 1 330.348 1.898 20 5 EDBDMN COc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000450790865 447577922 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304760285 /nfs/dbraw/zinc/76/02/85/304760285.db2.gz TXRDGUWJJCXQGZ-NSHDSACASA-N 0 1 335.332 1.179 20 5 EDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268778069 302050154 /nfs/dbraw/zinc/05/01/54/302050154.db2.gz HOGLLSNPUSAIQZ-NSHDSACASA-N 0 1 336.373 1.982 20 5 EDBDMN Cc1cnccc1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295407953 303215126 /nfs/dbraw/zinc/21/51/26/303215126.db2.gz MVDZKPRBFLXNFA-UHFFFAOYSA-N 0 1 335.385 1.862 20 5 EDBDMN CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)C(F)F ZINC000295638320 303245915 /nfs/dbraw/zinc/24/59/15/303245915.db2.gz DFNKZUFCABNYFX-XVKPBYJWSA-N 0 1 342.295 1.417 20 5 EDBDMN O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427926725 305001266 /nfs/dbraw/zinc/00/12/66/305001266.db2.gz YNHJJXGZOKGBJJ-UHFFFAOYSA-N 0 1 344.327 1.784 20 5 EDBDMN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443222885 305237039 /nfs/dbraw/zinc/23/70/39/305237039.db2.gz YTNLUGRKLJFQKI-CQSZACIVSA-N 0 1 341.433 1.994 20 5 EDBDMN COC1(CO)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000446987686 305272239 /nfs/dbraw/zinc/27/22/39/305272239.db2.gz UMNVDPLHBFSDBW-UHFFFAOYSA-N 0 1 334.332 1.085 20 5 EDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449554704 305313537 /nfs/dbraw/zinc/31/35/37/305313537.db2.gz PKXBBHXJHVIIIU-HNNXBMFYSA-N 0 1 340.401 1.701 20 5 EDBDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452394521 305397806 /nfs/dbraw/zinc/39/78/06/305397806.db2.gz VJDVTQLFQRPOLA-LBPRGKRZSA-N 0 1 341.795 1.825 20 5 EDBDMN COc1cccnc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000537396935 306026979 /nfs/dbraw/zinc/02/69/79/306026979.db2.gz NSCUICUATRTJGF-UHFFFAOYSA-N 0 1 337.357 1.983 20 5 EDBDMN CN(C)c1ccncc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000545379218 306084769 /nfs/dbraw/zinc/08/47/69/306084769.db2.gz ZHFKDLVWGVDQTI-UHFFFAOYSA-N 0 1 330.344 1.865 20 5 EDBDMN CN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046933831 441137874 /nfs/dbraw/zinc/13/78/74/441137874.db2.gz ROVPHAAZACISHQ-UHFFFAOYSA-N 0 1 343.387 1.923 20 5 EDBDMN CN(C)CCN(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000080684770 441189156 /nfs/dbraw/zinc/18/91/56/441189156.db2.gz NWKTYLQOKMWFNI-UHFFFAOYSA-N 0 1 331.376 1.557 20 5 EDBDMN Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000023617875 441297408 /nfs/dbraw/zinc/29/74/08/441297408.db2.gz LPALXMSBITVRNE-UHFFFAOYSA-N 0 1 331.380 1.087 20 5 EDBDMN Cc1nnc(SCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000073314294 441308847 /nfs/dbraw/zinc/30/88/47/441308847.db2.gz NPJMRFFARFXOGS-UHFFFAOYSA-N 0 1 336.377 1.342 20 5 EDBDMN Cc1n[nH]c(SCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000073314294 441308851 /nfs/dbraw/zinc/30/88/51/441308851.db2.gz NPJMRFFARFXOGS-UHFFFAOYSA-N 0 1 336.377 1.342 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)c(C)nn1C ZINC000107037399 441396951 /nfs/dbraw/zinc/39/69/51/441396951.db2.gz ZIGSIUBQNVILHA-UHFFFAOYSA-N 0 1 340.361 1.755 20 5 EDBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(C2CCOCC2)CC1 ZINC000083199794 441354735 /nfs/dbraw/zinc/35/47/35/441354735.db2.gz YPZQTKANAMUEGM-UHFFFAOYSA-N 0 1 348.403 1.601 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000030330811 441490633 /nfs/dbraw/zinc/49/06/33/441490633.db2.gz PUODOSIDUSYJOF-UHFFFAOYSA-N 0 1 339.417 1.808 20 5 EDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108450884 441454420 /nfs/dbraw/zinc/45/44/20/441454420.db2.gz TVWJUSOWFZQHSO-GFCCVEGCSA-N 0 1 334.376 1.786 20 5 EDBDMN Cc1[nH]ncc1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000076451926 441648158 /nfs/dbraw/zinc/64/81/58/441648158.db2.gz UTJXMNJZMOYZHM-UHFFFAOYSA-N 0 1 346.343 1.760 20 5 EDBDMN CCC[C@@H](NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000136666250 441712875 /nfs/dbraw/zinc/71/28/75/441712875.db2.gz JKJSIQYFECBLAB-SNVBAGLBSA-N 0 1 334.336 1.778 20 5 EDBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000426451176 447446320 /nfs/dbraw/zinc/44/63/20/447446320.db2.gz QHCGCLVOIAMAIV-UHFFFAOYSA-N 0 1 336.373 1.641 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000127735480 442222661 /nfs/dbraw/zinc/22/26/61/442222661.db2.gz PKGCPDRKONGKSB-CYBMUJFWSA-N 0 1 349.435 1.969 20 5 EDBDMN O=C1[C@@H](N2CCN3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177760075 442380941 /nfs/dbraw/zinc/38/09/41/442380941.db2.gz WGTRCVXMDYQEJQ-SJORKVTESA-N 0 1 344.415 1.870 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178087730 442406999 /nfs/dbraw/zinc/40/69/99/442406999.db2.gz AVOGUYAVAADIJA-CYBMUJFWSA-N 0 1 349.387 1.398 20 5 EDBDMN Cc1nn(CCC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(C)c1[N+](=O)[O-] ZINC000179348956 442627935 /nfs/dbraw/zinc/62/79/35/442627935.db2.gz ALTCGCGDZZIKLK-GFCCVEGCSA-N 0 1 347.379 1.670 20 5 EDBDMN C[C@@H]1COCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000193218353 442723691 /nfs/dbraw/zinc/72/36/91/442723691.db2.gz FNZFVJBICIPPMO-BXKDBHETSA-N 0 1 331.332 1.991 20 5 EDBDMN C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000267852963 442768743 /nfs/dbraw/zinc/76/87/43/442768743.db2.gz GEPNBKLDYWTSSN-VHSXEESVSA-N 0 1 348.352 1.206 20 5 EDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1CC(C)(C)O ZINC000188608683 442769256 /nfs/dbraw/zinc/76/92/56/442769256.db2.gz OGZCLKLHCFEDJS-LLVKDONJSA-N 0 1 337.376 1.218 20 5 EDBDMN Cc1c(CC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000194010388 442827520 /nfs/dbraw/zinc/82/75/20/442827520.db2.gz MMDPHUTYOXELAD-CHWSQXEVSA-N 0 1 335.404 1.359 20 5 EDBDMN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000265656068 442866061 /nfs/dbraw/zinc/86/60/61/442866061.db2.gz WFAAZDOEFJCXKM-HKPSDFMSSA-N 0 1 336.373 1.453 20 5 EDBDMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268158767 442876150 /nfs/dbraw/zinc/87/61/50/442876150.db2.gz IVDFTSCRIYJCQV-BXUZGUMPSA-N 0 1 346.387 1.441 20 5 EDBDMN C[C@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000183449704 442932458 /nfs/dbraw/zinc/93/24/58/442932458.db2.gz LLXMIXNMBKIFKU-SNVBAGLBSA-N 0 1 333.352 1.172 20 5 EDBDMN NC(=O)c1cc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266216902 443061865 /nfs/dbraw/zinc/06/18/65/443061865.db2.gz RAEUBBGFURQKEF-GFCCVEGCSA-N 0 1 329.360 1.796 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000269006814 443171451 /nfs/dbraw/zinc/17/14/51/443171451.db2.gz WJHQTORUGHEAKC-UHFFFAOYSA-N 0 1 347.350 1.723 20 5 EDBDMN COc1ccc(OCCN2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000266526967 443157703 /nfs/dbraw/zinc/15/77/03/443157703.db2.gz KSVQUQLHBAXDRR-AWEZNQCLSA-N 0 1 340.376 1.456 20 5 EDBDMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185780003 443255809 /nfs/dbraw/zinc/25/58/09/443255809.db2.gz WPJUGJOMZXZDML-CYBMUJFWSA-N 0 1 327.406 1.748 20 5 EDBDMN CC(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269326236 443281758 /nfs/dbraw/zinc/28/17/58/443281758.db2.gz CWVNKUSTXOKPBX-NSHDSACASA-N 0 1 337.380 1.430 20 5 EDBDMN CCOC(=O)CC1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000264586393 443336563 /nfs/dbraw/zinc/33/65/63/443336563.db2.gz BVXGDQRWCDVWRQ-UHFFFAOYSA-N 0 1 338.364 1.686 20 5 EDBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000282443961 443341819 /nfs/dbraw/zinc/34/18/19/443341819.db2.gz GWLGZRKEOVPKOS-YPMHNXCESA-N 0 1 348.334 1.968 20 5 EDBDMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272697084 443412554 /nfs/dbraw/zinc/41/25/54/443412554.db2.gz SCTPQZBLHQAGMW-LBPRGKRZSA-N 0 1 331.332 1.719 20 5 EDBDMN Cc1nnc([C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)[nH]1 ZINC000272720442 443421401 /nfs/dbraw/zinc/42/14/01/443421401.db2.gz ZUEGEXPLNHRMKK-SNVBAGLBSA-N 0 1 331.332 1.747 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000272665367 443401947 /nfs/dbraw/zinc/40/19/47/443401947.db2.gz IQLSREYJHBALJW-MNOVXSKESA-N 0 1 334.250 1.828 20 5 EDBDMN CCc1ccc([C@@H]2CNCCN2C(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000423617153 319793306 /nfs/dbraw/zinc/79/33/06/319793306.db2.gz XAXKELRLAVZALL-AWEZNQCLSA-N 0 1 343.387 1.677 20 5 EDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCC(N)=O)CC1 ZINC000271236736 443497223 /nfs/dbraw/zinc/49/72/23/443497223.db2.gz NGDHAAZENRLTPR-LBPRGKRZSA-N 0 1 348.403 1.899 20 5 EDBDMN Cc1c(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000276177782 443662623 /nfs/dbraw/zinc/66/26/23/443662623.db2.gz SXEUKPFGXCKZSG-GFCCVEGCSA-N 0 1 346.387 1.608 20 5 EDBDMN NC(=O)[C@@H]1CCCN1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440587698 320074777 /nfs/dbraw/zinc/07/47/77/320074777.db2.gz IZAKRZHMYICATN-LBPRGKRZSA-N 0 1 328.319 1.625 20 5 EDBDMN CO[C@@H]1COCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452636568 320253987 /nfs/dbraw/zinc/25/39/87/320253987.db2.gz OCWBOKLJVXXAGH-NOZJJQNGSA-N 0 1 334.332 1.252 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)c1[N+](=O)[O-] ZINC000283706737 443695145 /nfs/dbraw/zinc/69/51/45/443695145.db2.gz YXEQTNKATMYUMI-JTQLQIEISA-N 0 1 332.364 1.932 20 5 EDBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n[nH]1 ZINC000286346323 443695529 /nfs/dbraw/zinc/69/55/29/443695529.db2.gz LFBXDWDOHHRHRC-SSDOTTSWSA-N 0 1 334.292 1.729 20 5 EDBDMN C[C@H](O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000281105343 443820289 /nfs/dbraw/zinc/82/02/89/443820289.db2.gz FSVOLEDMFGYXTO-MNOVXSKESA-N 0 1 347.375 1.135 20 5 EDBDMN O=C(CN1CC[C@@H](O)C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292747207 443833083 /nfs/dbraw/zinc/83/30/83/443833083.db2.gz NOOSPLGEOQRQLT-MRXNPFEDSA-N 0 1 345.399 1.863 20 5 EDBDMN Cc1nc([C@@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000285227663 443903674 /nfs/dbraw/zinc/90/36/74/443903674.db2.gz AXKVDCRGPPMEEM-MRVPVSSYSA-N 0 1 325.350 1.369 20 5 EDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000548369172 320877666 /nfs/dbraw/zinc/87/76/66/320877666.db2.gz AKGCRXFCYBEEMO-LLVKDONJSA-N 0 1 327.406 1.666 20 5 EDBDMN Cc1c([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC000299417454 444041200 /nfs/dbraw/zinc/04/12/00/444041200.db2.gz QWNJMZWVJCDWHJ-MRVPVSSYSA-N 0 1 342.352 1.815 20 5 EDBDMN O=C(NCC1CCN(c2ncc([N+](=O)[O-])s2)CC1)C(F)(F)F ZINC000281802676 444010535 /nfs/dbraw/zinc/01/05/35/444010535.db2.gz GJGBMZQROJCIIT-UHFFFAOYSA-N 0 1 338.311 1.946 20 5 EDBDMN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC(C)C1 ZINC000557534090 321005332 /nfs/dbraw/zinc/00/53/32/321005332.db2.gz HKLVRJOMWAWONP-AWEZNQCLSA-N 0 1 332.404 1.584 20 5 EDBDMN O=[N+]([O-])c1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000563121938 321097778 /nfs/dbraw/zinc/09/77/78/321097778.db2.gz IVFHXDXPVRQIGR-AWEZNQCLSA-N 0 1 348.380 1.919 20 5 EDBDMN CC(C)(N)c1nocc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000564471289 321134224 /nfs/dbraw/zinc/13/42/24/321134224.db2.gz RRZRLXLHCZJKPA-UHFFFAOYSA-N 0 1 333.348 1.619 20 5 EDBDMN 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COCC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000562276676 306293969 /nfs/dbraw/zinc/29/39/69/306293969.db2.gz RDDRAKULDMEGNW-UHFFFAOYSA-N 0 1 334.332 1.397 20 5 EDBDMN CC[C@@](CNC(=O)c1n[nH]cc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000412967685 304047160 /nfs/dbraw/zinc/04/71/60/304047160.db2.gz GEGCTYZDUISWIW-INIZCTEOSA-N 0 1 346.343 1.569 20 5 EDBDMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000041368430 138102548 /nfs/dbraw/zinc/10/25/48/138102548.db2.gz BIDWHZPKZTYGHI-UHFFFAOYSA-N 0 1 345.359 1.622 20 5 EDBDMN O=C(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089154918 138273461 /nfs/dbraw/zinc/27/34/61/138273461.db2.gz DBGIOQGFJXFFCH-JKSUJKDBSA-N 0 1 349.387 1.803 20 5 EDBDMN COC(=O)c1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH]1 ZINC000093534652 138293781 /nfs/dbraw/zinc/29/37/81/138293781.db2.gz VFGMPXCHRKJDMW-LBPRGKRZSA-N 0 1 345.359 1.791 20 5 EDBDMN Cn1ccnc1-c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000119824730 138314698 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20 5 EDBDMN COC(=O)c1cn([C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029928 150082817 /nfs/dbraw/zinc/08/28/17/150082817.db2.gz CDSVSNGKMSGHEL-FZMZJTMJSA-N 0 1 345.359 1.981 20 5 EDBDMN Cn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000356801885 150809229 /nfs/dbraw/zinc/80/92/29/150809229.db2.gz ISAQZYVEBSUUFI-UHFFFAOYSA-N 0 1 344.249 1.983 20 5 EDBDMN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C)CC1 ZINC000358024405 151237728 /nfs/dbraw/zinc/23/77/28/151237728.db2.gz KJFBFQRHKCTTIC-LBPRGKRZSA-N 0 1 346.387 1.707 20 5 EDBDMN CC(C)n1cc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000360586485 152110376 /nfs/dbraw/zinc/11/03/76/152110376.db2.gz VHPLFMAQOUHGRX-CABCVRRESA-N 0 1 335.408 1.164 20 5 EDBDMN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000360663826 152144278 /nfs/dbraw/zinc/14/42/78/152144278.db2.gz SFVRLTVDIXXJJK-SECBINFHSA-N 0 1 345.315 1.461 20 5 EDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000360954780 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1.793 20 5 EDBDMN COCCO[C@H]1C[C@H](CO)CN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000278316160 444137693 /nfs/dbraw/zinc/13/76/93/444137693.db2.gz NEWPXYISGBBHOX-HOCLYGCPSA-N 0 1 338.404 1.749 20 5 EDBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C(N)=O ZINC000296131269 444206939 /nfs/dbraw/zinc/20/69/39/444206939.db2.gz RLPSDBUJKTWVAN-BXKDBHETSA-N 0 1 343.343 1.178 20 5 EDBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2[nH]ncc21 ZINC000289935204 444221225 /nfs/dbraw/zinc/22/12/25/444221225.db2.gz RNAIISALRYQERU-UHFFFAOYSA-N 0 1 340.336 1.907 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000289673593 444188971 /nfs/dbraw/zinc/18/89/71/444188971.db2.gz FOJKZXMCICGWSD-OAHLLOKOSA-N 0 1 346.347 1.401 20 5 EDBDMN CS(=O)(=O)c1ccc(NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000320058825 444327747 /nfs/dbraw/zinc/32/77/47/444327747.db2.gz UILYXKBAJSCSIM-NSHDSACASA-N 0 1 339.417 1.895 20 5 EDBDMN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331182046 444434204 /nfs/dbraw/zinc/43/42/04/444434204.db2.gz RRTJBORMLZNKLL-JTQLQIEISA-N 0 1 337.380 1.524 20 5 EDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[C@H]1CCO ZINC000331199156 444441202 /nfs/dbraw/zinc/44/12/02/444441202.db2.gz ZQZUTRBBUYKLHE-ONGXEEELSA-N 0 1 332.353 1.563 20 5 EDBDMN C[C@H]1[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343998208 444718226 /nfs/dbraw/zinc/71/82/26/444718226.db2.gz VBDXJWJMFVWXHF-SMDDNHRTSA-N 0 1 327.406 1.497 20 5 EDBDMN CC(C)N(C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000338425212 444687468 /nfs/dbraw/zinc/68/74/68/444687468.db2.gz YZOAPAOPPXLPFW-UHFFFAOYSA-N 0 1 343.405 1.068 20 5 EDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000343102546 445066735 /nfs/dbraw/zinc/06/67/35/445066735.db2.gz WJBQNSJDIVVOLX-SSDOTTSWSA-N 0 1 331.288 1.140 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000330774355 445135664 /nfs/dbraw/zinc/13/56/64/445135664.db2.gz GNBXNUUWFUPJIO-GFCCVEGCSA-N 0 1 334.250 1.830 20 5 EDBDMN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCN1CCC1 ZINC000337583766 445151491 /nfs/dbraw/zinc/15/14/91/445151491.db2.gz JYMFRHAHLRAODU-UHFFFAOYSA-N 0 1 348.359 1.105 20 5 EDBDMN COc1c(C(=O)N2C[C@@H](OC)C[C@H]2c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000348539273 445320386 /nfs/dbraw/zinc/32/03/86/445320386.db2.gz VCECZFKGAHWSIU-CABZTGNLSA-N 0 1 347.331 1.324 20 5 EDBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000348640611 445342497 /nfs/dbraw/zinc/34/24/97/445342497.db2.gz HQRUAGYGYHHQAL-UEICXMAYSA-N 0 1 344.371 1.624 20 5 EDBDMN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356970906 445353994 /nfs/dbraw/zinc/35/39/94/445353994.db2.gz FGPXFARXEFGDNH-UHFFFAOYSA-N 0 1 338.283 1.731 20 5 EDBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000348564425 445328032 /nfs/dbraw/zinc/32/80/32/445328032.db2.gz SPQBLULGIVETDS-SWLSCSKDSA-N 0 1 345.359 1.878 20 5 EDBDMN Cc1ccc(CN[C@H]2CCCN(c3ccnn3C)C2=O)cc1[N+](=O)[O-] ZINC000359808278 445439122 /nfs/dbraw/zinc/43/91/22/445439122.db2.gz SAIKATQYDKNWJP-AWEZNQCLSA-N 0 1 343.387 1.922 20 5 EDBDMN CCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000357233811 445496817 /nfs/dbraw/zinc/49/68/17/445496817.db2.gz MSJLUWSNHBVJIR-UHFFFAOYSA-N 0 1 342.333 1.027 20 5 EDBDMN CCO[C@@H]1COCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356024104 445575230 /nfs/dbraw/zinc/57/52/30/445575230.db2.gz MACSXGURGSYNPZ-QWHCGFSZSA-N 0 1 334.332 1.395 20 5 EDBDMN O=C(NCc1nnc[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000358568320 445655630 /nfs/dbraw/zinc/65/56/30/445655630.db2.gz YWBMVGLCMNBDNU-UHFFFAOYSA-N 0 1 345.237 1.584 20 5 EDBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CC[C@H](CO)O2)c1 ZINC000353693777 445711874 /nfs/dbraw/zinc/71/18/74/445711874.db2.gz XXDUCYHGKLLIBI-NWDGAFQWSA-N 0 1 332.303 1.826 20 5 EDBDMN CCCc1nc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2)no1 ZINC000363235717 445734655 /nfs/dbraw/zinc/73/46/55/445734655.db2.gz AXSHCRVTIMYGGT-OUCADQQQSA-N 0 1 330.344 1.893 20 5 EDBDMN COC(=O)C[C@H]1CSCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353749510 445737988 /nfs/dbraw/zinc/73/79/88/445737988.db2.gz LKZLXZMEDZTSJD-NSHDSACASA-N 0 1 326.374 1.781 20 5 EDBDMN Cc1cc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc([N+](=O)[O-])c1N ZINC000363469638 445816843 /nfs/dbraw/zinc/81/68/43/445816843.db2.gz CVBDFLARBSTJHX-QWHCGFSZSA-N 0 1 346.343 1.766 20 5 EDBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000354017384 445857079 /nfs/dbraw/zinc/85/70/79/445857079.db2.gz AHAVMAMYFQESLV-LLVKDONJSA-N 0 1 335.360 1.532 20 5 EDBDMN CCOC(=O)[C@H]1CCCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000373056514 445998159 /nfs/dbraw/zinc/99/81/59/445998159.db2.gz HYVFMNWHCHHJAE-LLVKDONJSA-N 0 1 338.364 1.828 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000354202977 445995606 /nfs/dbraw/zinc/99/56/06/445995606.db2.gz JPYHSWQOMNOCHC-SMDDNHRTSA-N 0 1 348.403 1.695 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000354225452 446021523 /nfs/dbraw/zinc/02/15/23/446021523.db2.gz XDXJVICREKOQDA-LBPRGKRZSA-N 0 1 346.387 1.449 20 5 EDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000366719043 446321354 /nfs/dbraw/zinc/32/13/54/446321354.db2.gz LOPSCVDDFVQRFA-GMTAPVOTSA-N 0 1 344.776 1.292 20 5 EDBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@](O)(C4CC4)C3)n2)cc1 ZINC000365851279 446370655 /nfs/dbraw/zinc/37/06/55/446370655.db2.gz VCQMGCJFCIWRIV-MRXNPFEDSA-N 0 1 330.344 1.992 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1N1CCC(O)(CN2CCOCC2)CC1 ZINC000374968109 446487804 /nfs/dbraw/zinc/48/78/04/446487804.db2.gz HLGJKRVWNHUSLN-UHFFFAOYSA-N 0 1 335.404 1.567 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000375005769 446508323 /nfs/dbraw/zinc/50/83/23/446508323.db2.gz UEILXWBHNWJSQK-RHSMWYFYSA-N 0 1 340.383 1.676 20 5 EDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000411941070 446751164 /nfs/dbraw/zinc/75/11/64/446751164.db2.gz KZARELUGDPOTNM-NEPJUHHUSA-N 0 1 334.376 1.332 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423950087 446792986 /nfs/dbraw/zinc/79/29/86/446792986.db2.gz LAPWTCRALBPRFB-AWEZNQCLSA-N 0 1 328.328 1.482 20 5 EDBDMN COC(=O)[C@@H]1CSCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412084563 446844807 /nfs/dbraw/zinc/84/48/07/446844807.db2.gz TXZQGBLSFTTWAL-LBPRGKRZSA-N 0 1 340.401 1.812 20 5 EDBDMN Cc1n[nH]c([C@@H]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412042484 446806459 /nfs/dbraw/zinc/80/64/59/446806459.db2.gz NZZVNGHNYLVKDC-ZYHUDNBSSA-N 0 1 344.375 1.838 20 5 EDBDMN Cc1nnc([C@@H]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412042484 446806464 /nfs/dbraw/zinc/80/64/64/446806464.db2.gz NZZVNGHNYLVKDC-ZYHUDNBSSA-N 0 1 344.375 1.838 20 5 EDBDMN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000420938447 446911549 /nfs/dbraw/zinc/91/15/49/446911549.db2.gz MNAHXUNKINFIMU-AWEZNQCLSA-N 0 1 337.376 1.395 20 5 EDBDMN CC(=O)N1CC[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444667428 447116966 /nfs/dbraw/zinc/11/69/66/447116966.db2.gz URAAJPZWZYIQAE-LBPRGKRZSA-N 0 1 331.376 1.771 20 5 EDBDMN C[C@H](CO)N1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372727888 447249914 /nfs/dbraw/zinc/24/99/14/447249914.db2.gz QTDWXBAHPWNBTR-LLVKDONJSA-N 0 1 325.340 1.263 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425555425 447229522 /nfs/dbraw/zinc/22/95/22/447229522.db2.gz YECPQRZNDLNPPT-NSHDSACASA-N 0 1 330.348 1.449 20 5 EDBDMN Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)c(C)c1 ZINC000368977666 447241513 /nfs/dbraw/zinc/24/15/13/447241513.db2.gz JIITZCKYXVWFDH-IHRRRGAJSA-N 0 1 331.372 1.499 20 5 EDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000421895506 447270064 /nfs/dbraw/zinc/27/00/64/447270064.db2.gz RRZFMKRRHXZJDN-AWEZNQCLSA-N 0 1 335.404 1.788 20 5 EDBDMN CC(C)(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(F)(F)F ZINC000576174253 447991472 /nfs/dbraw/zinc/99/14/72/447991472.db2.gz HINKAFADPDFEOV-UHFFFAOYSA-N 0 1 327.284 1.857 20 5 EDBDMN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CCCN(C)C1 ZINC000525008947 447965628 /nfs/dbraw/zinc/96/56/28/447965628.db2.gz QRDFQLOFMABBLC-NSHDSACASA-N 0 1 335.360 1.532 20 5 EDBDMN C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000531633482 448120276 /nfs/dbraw/zinc/12/02/76/448120276.db2.gz GDOXOOGUKCDHCV-UHFFFAOYSA-N 0 1 332.335 1.991 20 5 EDBDMN CN(CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000531633482 448120282 /nfs/dbraw/zinc/12/02/82/448120282.db2.gz GDOXOOGUKCDHCV-UHFFFAOYSA-N 0 1 332.335 1.991 20 5 EDBDMN C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000576728633 448128018 /nfs/dbraw/zinc/12/80/18/448128018.db2.gz PVWAPLWPVLRKSY-RISCZKNCSA-N 0 1 329.360 1.711 20 5 EDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000514947298 448232088 /nfs/dbraw/zinc/23/20/88/448232088.db2.gz WVAXPAFJCLVYGW-OAHLLOKOSA-N 0 1 332.316 1.941 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccn(-c3ccccc3)n2)c1 ZINC000577841258 448398066 /nfs/dbraw/zinc/39/80/66/448398066.db2.gz DRSKSMIVWIYKKB-MRXNPFEDSA-N 0 1 342.359 1.128 20 5 EDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1n[nH]c(C2CC2)n1 ZINC000591769510 448486986 /nfs/dbraw/zinc/48/69/86/448486986.db2.gz HHNLDQQOSMBDMM-NSHDSACASA-N 0 1 333.348 1.120 20 5 EDBDMN O=[N+]([O-])c1cc2c(nc1N1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000591908570 448564772 /nfs/dbraw/zinc/56/47/72/448564772.db2.gz XJNROILZIWCGMZ-WBVHZDCISA-N 0 1 346.431 1.904 20 5 EDBDMN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](N2CCOCC2)CC1 ZINC000573220153 448573409 /nfs/dbraw/zinc/57/34/09/448573409.db2.gz ZQEVDIZCKZAKME-ZDUSSCGKSA-N 0 1 348.403 1.385 20 5 EDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000521252716 448967213 /nfs/dbraw/zinc/96/72/13/448967213.db2.gz MSIAYWBNCPKZFU-WCQYABFASA-N 0 1 334.376 1.917 20 5 EDBDMN O=[N+]([O-])c1cc(CN2CC[C@H](Cn3ccnn3)C2)c2c(c1)COCO2 ZINC000595613063 449080888 /nfs/dbraw/zinc/08/08/88/449080888.db2.gz ZMQYHLSOTZXCBT-LBPRGKRZSA-N 0 1 345.359 1.575 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000589929904 449082955 /nfs/dbraw/zinc/08/29/55/449082955.db2.gz NUDFYVRJFRIVRN-YPMHNXCESA-N 0 1 325.390 1.228 20 5 EDBDMN CN1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000589930122 449084540 /nfs/dbraw/zinc/08/45/40/449084540.db2.gz STDWPWGCBLZGNA-RISCZKNCSA-N 0 1 325.390 1.061 20 5 EDBDMN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2nc[nH]c2C1 ZINC000599952369 449123988 /nfs/dbraw/zinc/12/39/88/449123988.db2.gz LYNHRJQXTCARMB-UHFFFAOYSA-N 0 1 330.300 1.288 20 5 EDBDMN CC(C)c1noc(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000593205311 449169895 /nfs/dbraw/zinc/16/98/95/449169895.db2.gz WEIXDXLLDOEQHW-UHFFFAOYSA-N 0 1 341.345 1.922 20 5 EDBDMN C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000590399809 449147867 /nfs/dbraw/zinc/14/78/67/449147867.db2.gz 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CC1(N2CCOCC2)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000600410796 449361882 /nfs/dbraw/zinc/36/18/82/449361882.db2.gz NFRLRMMPMQQGTR-UHFFFAOYSA-N 0 1 339.417 1.983 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600703288 449503573 /nfs/dbraw/zinc/50/35/73/449503573.db2.gz QALHVIQYTPMNDQ-YPMHNXCESA-N 0 1 335.360 1.884 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600703288 449503577 /nfs/dbraw/zinc/50/35/77/449503577.db2.gz QALHVIQYTPMNDQ-YPMHNXCESA-N 0 1 335.360 1.884 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598716541 449560900 /nfs/dbraw/zinc/56/09/00/449560900.db2.gz LXXNYQQZLKAIAJ-WDEREUQCSA-N 0 1 327.406 1.583 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(c2ccccc2)CC1 ZINC000594743028 449660874 /nfs/dbraw/zinc/66/08/74/449660874.db2.gz PPXZVJOSBQHSOZ-UHFFFAOYSA-N 0 1 333.369 2.000 20 5 EDBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nccs1 ZINC000594752462 449667163 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Cc1ccc(S(=O)(=O)NCCN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598595147 449482667 /nfs/dbraw/zinc/48/26/67/449482667.db2.gz CDYRTBFVIFWZAS-UHFFFAOYSA-N 0 1 327.406 1.586 20 5 EDBDMN CC(C)c1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393453 449489060 /nfs/dbraw/zinc/48/90/60/449489060.db2.gz NKIOKZSGKJXBSE-UONOGXRCSA-N 0 1 333.388 1.609 20 5 EDBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393400 449489297 /nfs/dbraw/zinc/48/92/97/449489297.db2.gz MFPDGSMOBUNGRJ-NWDGAFQWSA-N 0 1 339.779 1.448 20 5 EDBDMN COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000617352611 449571260 /nfs/dbraw/zinc/57/12/60/449571260.db2.gz CHKMNLLNIIPZEW-LBPRGKRZSA-N 0 1 337.376 1.444 20 5 EDBDMN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nccs1 ZINC000594752563 449666884 /nfs/dbraw/zinc/66/68/84/449666884.db2.gz CYZXHLYQBHVDIY-QMMMGPOBSA-N 0 1 328.375 1.876 20 5 EDBDMN C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756915 449671901 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/nfs/dbraw/zinc/94/74/68/595947468.db2.gz JSBSWXKUUVEJDA-GHMZBOCLSA-N 0 1 329.349 1.333 20 5 EDBDMN Cc1ccc([C@@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000851905025 595969554 /nfs/dbraw/zinc/96/95/54/595969554.db2.gz BAVMZEYBXNAFGV-ACJLOTCBSA-N 0 1 343.383 1.927 20 5 EDBDMN COC(=O)N1CCC[C@H]([C@H](C)NCc2onc(C)c2[N+](=O)[O-])C1 ZINC000851949419 595982137 /nfs/dbraw/zinc/98/21/37/595982137.db2.gz DLASMCULMLXWKY-ONGXEEELSA-N 0 1 326.353 1.848 20 5 EDBDMN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2onc(C)c2[N+](=O)[O-])C1 ZINC000851949418 595982192 /nfs/dbraw/zinc/98/21/92/595982192.db2.gz DLASMCULMLXWKY-MWLCHTKSSA-N 0 1 326.353 1.848 20 5 EDBDMN CO[C@@H]1CC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000852094294 596042242 /nfs/dbraw/zinc/04/22/42/596042242.db2.gz XKQXHFSZEOHCAE-ZIAGYGMSSA-N 0 1 333.388 1.920 20 5 EDBDMN C/C(=C/C(=O)NC[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000854353481 596049116 /nfs/dbraw/zinc/04/91/16/596049116.db2.gz ZVVCHOHAPLJDNS-VWILAXROSA-N 0 1 344.415 1.504 20 5 EDBDMN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000867680925 596493296 /nfs/dbraw/zinc/49/32/96/596493296.db2.gz JGZHHARHAKEWMR-UHFFFAOYSA-N 0 1 327.406 1.700 20 5 EDBDMN Cc1c(OCC(=O)CCNC(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000865354799 596550385 /nfs/dbraw/zinc/55/03/85/596550385.db2.gz WPKYNKHEHZUEOS-UHFFFAOYSA-N 0 1 334.250 1.920 20 5 EDBDMN O=[N+]([O-])c1cc(CO)c(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000865506080 596593287 /nfs/dbraw/zinc/59/32/87/596593287.db2.gz MZDIHBDMLSFMGC-CZUORRHYSA-N 0 1 339.367 1.262 20 5 EDBDMN Cn1cc(CN2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000877503695 597526488 /nfs/dbraw/zinc/52/64/88/597526488.db2.gz UGRHTWKRHRPCTG-KRWDZBQOSA-N 0 1 330.388 1.854 20 5 EDBDMN CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000882494217 597976983 /nfs/dbraw/zinc/97/69/83/597976983.db2.gz OUXRGUZXXOOBFD-ZDUSSCGKSA-N 0 1 329.360 1.605 20 5 EDBDMN Cc1nn(CN2CCC[C@@H](CN3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000069796414 700074693 /nfs/dbraw/zinc/07/46/93/700074693.db2.gz LJXIPZOAEANRNC-HNNXBMFYSA-N 0 1 337.424 1.410 20 5 EDBDMN O=C(COC(=O)c1[nH]nc2c1CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000919330064 697267803 /nfs/dbraw/zinc/26/78/03/697267803.db2.gz ACZFUIQVIRMWJI-UHFFFAOYSA-N 0 1 330.300 1.602 20 5 EDBDMN Cc1cncc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000943661886 698656304 /nfs/dbraw/zinc/65/63/04/698656304.db2.gz WXJHMVNAOPPVQB-KBUPBQIOSA-N 0 1 346.387 1.212 20 5 EDBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1C1CCC1 ZINC000997678431 704040023 /nfs/dbraw/zinc/04/00/23/704040023.db2.gz FDPAIWDIWHBPBT-HZPDHXFCSA-N 0 1 343.383 1.560 20 5 EDBDMN CC(C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)=C1CCCC1 ZINC000946397156 704913348 /nfs/dbraw/zinc/91/33/48/704913348.db2.gz WBGNRILJGARDIF-HUUCEWRRSA-N 0 1 335.404 1.649 20 5 EDBDMN O=C(Cc1cccs1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705466 707170495 /nfs/dbraw/zinc/17/04/95/707170495.db2.gz BPAVEUPMOKUROZ-CHWSQXEVSA-N 0 1 337.401 1.063 20 5 EDBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2ccsc2[nH]1 ZINC001003388728 710308372 /nfs/dbraw/zinc/30/83/72/710308372.db2.gz ODMRPBBGQURKJM-ZYHUDNBSSA-N 0 1 348.384 1.083 20 5 EDBDMN CC[C@@H](CO)N1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000183378592 529506640 /nfs/dbraw/zinc/50/66/40/529506640.db2.gz IPVHLRINGALKNY-GRNBYLDVSA-N 0 1 347.415 1.913 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066105879 215013213 /nfs/dbraw/zinc/01/32/13/215013213.db2.gz JYSOIPKNPDBNIR-CQSZACIVSA-N 0 1 339.417 1.762 20 5 EDBDMN CCN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000102184054 219189897 /nfs/dbraw/zinc/18/98/97/219189897.db2.gz KLARQNGCONKQMC-UHFFFAOYSA-N 0 1 327.406 1.666 20 5 EDBDMN CC(C)N1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376639 215138559 /nfs/dbraw/zinc/13/85/59/215138559.db2.gz SYAGILVWJPPJGM-INIZCTEOSA-N 0 1 332.404 1.726 20 5 EDBDMN CC(=O)N(C)C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068565799 215318771 /nfs/dbraw/zinc/31/87/71/215318771.db2.gz DYIYRPWETPAGNF-UHFFFAOYSA-N 0 1 345.359 1.554 20 5 EDBDMN C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000270272601 282716500 /nfs/dbraw/zinc/71/65/00/282716500.db2.gz UXWUXFTYZFNMRK-GFCCVEGCSA-N 0 1 334.376 1.499 20 5 EDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@H](C)C2)n1 ZINC000563203516 306323262 /nfs/dbraw/zinc/32/32/62/306323262.db2.gz CJXXOZIVJDZMJB-JTQLQIEISA-N 0 1 334.376 1.917 20 5 EDBDMN Cc1sc(S(=O)(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000125699064 138335647 /nfs/dbraw/zinc/33/56/47/138335647.db2.gz ZLBBHWVMAXFCES-UHFFFAOYSA-N 0 1 335.451 1.925 20 5 EDBDMN C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnc[nH]1 ZINC000564635245 306361549 /nfs/dbraw/zinc/36/15/49/306361549.db2.gz VCQOJPFXEKUVJA-SECBINFHSA-N 0 1 343.347 1.797 20 5 EDBDMN CCOc1ccc(NC(=O)CN[C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000565160189 306376582 /nfs/dbraw/zinc/37/65/82/306376582.db2.gz BRMHGLWHONFHDH-KBPBESRZSA-N 0 1 337.376 1.681 20 5 EDBDMN COc1cc(CNc2nnc(-c3cnn(C)c3)o2)cc([N+](=O)[O-])c1O ZINC000195019316 139004877 /nfs/dbraw/zinc/00/48/77/139004877.db2.gz PDHGFASRCDHMTE-UHFFFAOYSA-N 0 1 346.303 1.705 20 5 EDBDMN Cn1nc2c(cc1=O)CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000078620789 217089291 /nfs/dbraw/zinc/08/92/91/217089291.db2.gz DWKXYVVMSMJYKS-UHFFFAOYSA-N 0 1 330.344 1.126 20 5 EDBDMN O=C(CCN1CC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000081084993 217359807 /nfs/dbraw/zinc/35/98/07/217359807.db2.gz XKFPMZSQJLKGEZ-ZDUSSCGKSA-N 0 1 347.293 1.923 20 5 EDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000245562197 139079596 /nfs/dbraw/zinc/07/95/96/139079596.db2.gz OODOTQWBIAPNHJ-HIFRSBDPSA-N 0 1 347.375 1.680 20 5 EDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000193564805 296283365 /nfs/dbraw/zinc/28/33/65/296283365.db2.gz YPKBVGZIGPYCJM-ZDUSSCGKSA-N 0 1 334.376 1.786 20 5 EDBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1NCCc2ccccc21 ZINC000261725646 139220907 /nfs/dbraw/zinc/22/09/07/139220907.db2.gz RECCURCBFKNORK-CQSZACIVSA-N 0 1 347.396 1.760 20 5 EDBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425070272 252298886 /nfs/dbraw/zinc/29/88/86/252298886.db2.gz WJUUSJCDWDFZFW-SNVBAGLBSA-N 0 1 326.316 1.824 20 5 EDBDMN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000154309765 224235623 /nfs/dbraw/zinc/23/56/23/224235623.db2.gz JQSVZFKLZZSGFZ-UHFFFAOYSA-N 0 1 343.343 1.225 20 5 EDBDMN C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000493630552 255217209 /nfs/dbraw/zinc/21/72/09/255217209.db2.gz ZNBSATHEYJTNQT-AFNCTOJWSA-N 0 1 332.404 1.360 20 5 EDBDMN CN(C)c1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000571432759 306565832 /nfs/dbraw/zinc/56/58/32/306565832.db2.gz HEYUKQBYMFANGA-OAHLLOKOSA-N 0 1 346.387 1.585 20 5 EDBDMN Cc1ccc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268169317 139732417 /nfs/dbraw/zinc/73/24/17/139732417.db2.gz PQAPTPUKMCJKOV-RISCZKNCSA-N 0 1 339.417 1.664 20 5 EDBDMN CCc1nc([C@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000270802012 140171927 /nfs/dbraw/zinc/17/19/27/140171927.db2.gz WRQAVPBMMPMJNU-ZETCQYMHSA-N 0 1 329.320 1.643 20 5 EDBDMN C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000271357006 140284393 /nfs/dbraw/zinc/28/43/93/140284393.db2.gz FSQPNBKUJRSHMB-OCCSQVGLSA-N 0 1 343.387 1.721 20 5 EDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@@H]1CCCCO1 ZINC000272477034 140463675 /nfs/dbraw/zinc/46/36/75/140463675.db2.gz XZJCTPRTNSYCJA-JTQLQIEISA-N 0 1 332.353 1.971 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](OC)C[C@@H]1c1n[nH]c(C)n1 ZINC000344704556 143000864 /nfs/dbraw/zinc/00/08/64/143000864.db2.gz HQTMTGDPDRNPBB-ZIAGYGMSSA-N 0 1 347.375 1.992 20 5 EDBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000344965476 143032089 /nfs/dbraw/zinc/03/20/89/143032089.db2.gz GXANNRQSMYTVMH-CYBMUJFWSA-N 0 1 346.343 1.069 20 5 EDBDMN Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCCN1C ZINC000345166020 143060110 /nfs/dbraw/zinc/06/01/10/143060110.db2.gz VOBFCEPDJWFFNH-ABAIWWIYSA-N 0 1 347.375 1.734 20 5 EDBDMN COc1ccc(OCCN2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000347384238 143315268 /nfs/dbraw/zinc/31/52/68/143315268.db2.gz XTPUUJFCOJSQPF-GFCCVEGCSA-N 0 1 342.417 1.782 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCN2C)c1 ZINC000353055728 149268326 /nfs/dbraw/zinc/26/83/26/149268326.db2.gz GXFNRCDQFOIXKJ-GFCCVEGCSA-N 0 1 327.406 1.584 20 5 EDBDMN COC(=O)COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354921762 150033143 /nfs/dbraw/zinc/03/31/43/150033143.db2.gz AJIFMDRWMOXKHC-FZMZJTMJSA-N 0 1 338.360 1.349 20 5 EDBDMN COC(=O)COc1ccc(CN2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355726526 150376935 /nfs/dbraw/zinc/37/69/35/150376935.db2.gz KLKNIUSKSVYWNU-MRXNPFEDSA-N 0 1 338.360 1.493 20 5 EDBDMN CCO[C@H]1COCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356024102 150476573 /nfs/dbraw/zinc/47/65/73/150476573.db2.gz MACSXGURGSYNPZ-OLZOCXBDSA-N 0 1 334.332 1.395 20 5 EDBDMN CS(=O)(=O)c1cccc(N[C@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000357565158 151068902 /nfs/dbraw/zinc/06/89/02/151068902.db2.gz JZIWRXZXFUDHRA-VIFPVBQESA-N 0 1 336.373 1.691 20 5 EDBDMN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360828665 152222903 /nfs/dbraw/zinc/22/29/03/152222903.db2.gz KULNJCLRYVDHPB-LLVKDONJSA-N 0 1 347.306 1.382 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](n2cncn2)C1 ZINC000364505646 153254982 /nfs/dbraw/zinc/25/49/82/153254982.db2.gz DVUWCMRNCSTGGT-SNVBAGLBSA-N 0 1 327.304 1.150 20 5 EDBDMN COC(=O)c1cnc(N2CCC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000364571239 153274921 /nfs/dbraw/zinc/27/49/21/153274921.db2.gz BHFQOHQUZGJWBQ-VIFPVBQESA-N 0 1 332.320 1.279 20 5 EDBDMN O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000364829941 153345307 /nfs/dbraw/zinc/34/53/07/153345307.db2.gz QBNBUUSHOZMSAW-WFASDCNBSA-N 0 1 343.387 1.309 20 5 EDBDMN O=C1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C2CC2)N1 ZINC000367456894 154131605 /nfs/dbraw/zinc/13/16/05/154131605.db2.gz DGQAOASHVDRQHL-BZNIZROVSA-N 0 1 330.344 1.883 20 5 EDBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000371975365 156192777 /nfs/dbraw/zinc/19/27/77/156192777.db2.gz XPOBRYWAZRNEPZ-UHFFFAOYSA-N 0 1 341.371 1.779 20 5 EDBDMN CC(C)N1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000377259493 157906891 /nfs/dbraw/zinc/90/68/91/157906891.db2.gz LVDHWQVSELIEPU-CQSZACIVSA-N 0 1 347.375 1.197 20 5 EDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccncn2)C1 ZINC000378315202 158138300 /nfs/dbraw/zinc/13/83/00/158138300.db2.gz RGBIUERTMASEBQ-ZDUSSCGKSA-N 0 1 329.360 1.426 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(S(N)(=O)=O)CC1 ZINC000378489784 158188906 /nfs/dbraw/zinc/18/89/06/158188906.db2.gz BGHPSYSOWUECKA-NSHDSACASA-N 0 1 327.406 1.717 20 5 EDBDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352512604 162222485 /nfs/dbraw/zinc/22/24/85/162222485.db2.gz PSGTVZSDKCKUQG-ZDUSSCGKSA-N 0 1 327.406 1.748 20 5 EDBDMN O=C(NCc1ccc(N2CCCC2=O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159769478 225273762 /nfs/dbraw/zinc/27/37/62/225273762.db2.gz GXVCSNCWTDSNPN-UHFFFAOYSA-N 0 1 329.316 1.375 20 5 EDBDMN CCc1nc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000122956247 222189631 /nfs/dbraw/zinc/18/96/31/222189631.db2.gz NEZJAOITJKZFFP-QMMMGPOBSA-N 0 1 332.320 1.032 20 5 EDBDMN CCc1n[nH]c(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000122956247 222189635 /nfs/dbraw/zinc/18/96/35/222189635.db2.gz NEZJAOITJKZFFP-QMMMGPOBSA-N 0 1 332.320 1.032 20 5 EDBDMN C[C@@H](O)CN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000186942036 533684217 /nfs/dbraw/zinc/68/42/17/533684217.db2.gz AGWRGTMYQHXMDD-NWDGAFQWSA-N 0 1 346.387 1.603 20 5 EDBDMN COCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273385401 268038204 /nfs/dbraw/zinc/03/82/04/268038204.db2.gz JDHMADRPVFDCHK-JTQLQIEISA-N 0 1 326.328 1.576 20 5 EDBDMN CN(C)CCNS(=O)(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000171830112 272932402 /nfs/dbraw/zinc/93/24/02/272932402.db2.gz ACOLPGNIUBWECZ-UHFFFAOYSA-N 0 1 342.421 1.257 20 5 EDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[S@](=O)C1 ZINC000277691907 273217664 /nfs/dbraw/zinc/21/76/64/273217664.db2.gz VSFAYBHARNOZGW-WBNWAKSLSA-N 0 1 336.373 1.312 20 5 EDBDMN COC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278911526 273270532 /nfs/dbraw/zinc/27/05/32/273270532.db2.gz ZMFOROJBMIQBFY-CORIIIEPSA-N 0 1 337.376 1.705 20 5 EDBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280795056 273399245 /nfs/dbraw/zinc/39/92/45/273399245.db2.gz RLZUCQPMQQKNPM-BDJLRTHQSA-N 0 1 334.376 1.428 20 5 EDBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(CCO)C[C@@H]1C ZINC000450957233 274140367 /nfs/dbraw/zinc/14/03/67/274140367.db2.gz UADPKSGAQCQUGU-LBPRGKRZSA-N 0 1 346.387 1.654 20 5 EDBDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000284739805 274313341 /nfs/dbraw/zinc/31/33/41/274313341.db2.gz XTRFDIVGULHABV-OCCSQVGLSA-N 0 1 347.375 1.862 20 5 EDBDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000284833988 274351105 /nfs/dbraw/zinc/35/11/05/274351105.db2.gz BJHZJUVIELXVKT-MFKMUULPSA-N 0 1 349.322 1.763 20 5 EDBDMN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000287068956 288149519 /nfs/dbraw/zinc/14/95/19/288149519.db2.gz WCITUHZGOIECQR-IJLUTSLNSA-N 0 1 338.364 1.282 20 5 EDBDMN CC[C@H](C)N(CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000287465064 288244025 /nfs/dbraw/zinc/24/40/25/288244025.db2.gz RLGQVGOUYNHGEM-JTQLQIEISA-N 0 1 339.348 1.355 20 5 EDBDMN C[C@H](CN1CCN(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287611542 288277189 /nfs/dbraw/zinc/27/71/89/288277189.db2.gz YVYBTNQQNLXKHR-LLVKDONJSA-N 0 1 346.391 1.291 20 5 EDBDMN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292290815 289308586 /nfs/dbraw/zinc/30/85/86/289308586.db2.gz UENPFQMCTPXVMK-AWEZNQCLSA-N 0 1 327.406 1.103 20 5 EDBDMN CN1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000372855609 447318654 /nfs/dbraw/zinc/31/86/54/447318654.db2.gz GDNSVCDGNGLPIB-IGJVIKARSA-N 0 1 325.315 1.491 20 5 EDBDMN C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000294738070 303141300 /nfs/dbraw/zinc/14/13/00/303141300.db2.gz WQLWAMBLGDOULA-ZANVPECISA-N 0 1 332.353 1.563 20 5 EDBDMN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCN(CCCO)C2)c1[N+](=O)[O-] ZINC000295339523 303206783 /nfs/dbraw/zinc/20/67/83/303206783.db2.gz DNCGDQGSACSSPS-NSHDSACASA-N 0 1 339.396 1.018 20 5 EDBDMN CCn1ccnc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295450972 303221094 /nfs/dbraw/zinc/22/10/94/303221094.db2.gz KQQODUBDMODOTI-UHFFFAOYSA-N 0 1 344.780 1.943 20 5 EDBDMN CCc1nc([C@@H](C)NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000295458248 303222486 /nfs/dbraw/zinc/22/24/86/303222486.db2.gz HMOHHDGAXLYUOV-SSDOTTSWSA-N 0 1 337.311 1.914 20 5 EDBDMN C[C@]1(O)CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295708883 303255836 /nfs/dbraw/zinc/25/58/36/303255836.db2.gz RFPAIICFQYWTMC-INIZCTEOSA-N 0 1 330.344 1.972 20 5 EDBDMN O=C(NCCCCN1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342924926 303765881 /nfs/dbraw/zinc/76/58/81/303765881.db2.gz LQVQBAHVGWELRF-UHFFFAOYSA-N 0 1 346.387 1.918 20 5 EDBDMN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430255773 305048951 /nfs/dbraw/zinc/04/89/51/305048951.db2.gz GSSZWWPRMBCTHZ-BDJLRTHQSA-N 0 1 334.376 1.380 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000435989033 305150718 /nfs/dbraw/zinc/15/07/18/305150718.db2.gz JEMAPDUDFMRVGO-HFBDOXOYSA-N 0 1 338.364 1.425 20 5 EDBDMN CCc1[nH]nc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1[N+](=O)[O-] ZINC000444338530 305246137 /nfs/dbraw/zinc/24/61/37/305246137.db2.gz NXPPFYSMQQEZRU-UHFFFAOYSA-N 0 1 327.304 1.918 20 5 EDBDMN COCC[C@@]1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447390784 305279882 /nfs/dbraw/zinc/27/98/82/305279882.db2.gz CFFBLMCMSWGHBD-MRXNPFEDSA-N 0 1 337.376 1.343 20 5 EDBDMN CN(C)[C@H]1CCOc2c(NC(=O)Cn3cnc([N+](=O)[O-])n3)cccc21 ZINC000447722011 305284543 /nfs/dbraw/zinc/28/45/43/305284543.db2.gz HWNUKZPPTKMTSK-LBPRGKRZSA-N 0 1 346.347 1.210 20 5 EDBDMN CCN1CCC[C@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448915916 305303922 /nfs/dbraw/zinc/30/39/22/305303922.db2.gz FKIJBCSNIILVDV-JTQLQIEISA-N 0 1 325.340 1.957 20 5 EDBDMN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H](O)C[C@H]3[C@H]3CCCOC3)nc2c1 ZINC000451307092 305337944 /nfs/dbraw/zinc/33/79/44/305337944.db2.gz TZSQMQWLEZSIDU-GHJWDPDVSA-N 0 1 346.387 1.833 20 5 EDBDMN COc1cccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)c1 ZINC000548735783 306136366 /nfs/dbraw/zinc/13/63/66/306136366.db2.gz FFJMQJJABYSMLM-ZDUSSCGKSA-N 0 1 333.348 1.359 20 5 EDBDMN C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000548961765 306142738 /nfs/dbraw/zinc/14/27/38/306142738.db2.gz BYLSEIDPCSZFOO-WCQYABFASA-N 0 1 329.360 1.711 20 5 EDBDMN C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000548961765 306142739 /nfs/dbraw/zinc/14/27/39/306142739.db2.gz BYLSEIDPCSZFOO-WCQYABFASA-N 0 1 329.360 1.711 20 5 EDBDMN CC(C)CN1CCO[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044344309 440838484 /nfs/dbraw/zinc/83/84/84/440838484.db2.gz RYTIJVXHJBPTFS-LBPRGKRZSA-N 0 1 327.406 1.743 20 5 EDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046047175 441073980 /nfs/dbraw/zinc/07/39/80/441073980.db2.gz JEFAQPTZCVFWDR-HNNXBMFYSA-N 0 1 348.403 1.625 20 5 EDBDMN CCN1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108718294 441472411 /nfs/dbraw/zinc/47/24/11/441472411.db2.gz QASAQLZNLBDWDL-ZDUSSCGKSA-N 0 1 327.406 1.499 20 5 EDBDMN Cc1[nH]nc2cc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)ccc12 ZINC000091825569 441745441 /nfs/dbraw/zinc/74/54/41/441745441.db2.gz GLHIDKGEOPLQPF-UHFFFAOYSA-N 0 1 327.300 1.580 20 5 EDBDMN CCc1nn(C)c(NCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092827922 441831388 /nfs/dbraw/zinc/83/13/88/441831388.db2.gz SWOGJRLKGBJDSL-TXEJJXNPSA-N 0 1 325.413 1.802 20 5 EDBDMN Nc1cc(CCCNC(=O)[C@H]2CC2[N+](=O)[O-])nn1-c1ccccc1 ZINC000079617502 442070525 /nfs/dbraw/zinc/07/05/25/442070525.db2.gz ILTWEIYIURGOQO-KBPBESRZSA-N 0 1 329.360 1.169 20 5 EDBDMN COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000153234436 442269447 /nfs/dbraw/zinc/26/94/47/442269447.db2.gz HXRGJDWOFBTIMZ-GFCCVEGCSA-N 0 1 346.343 1.388 20 5 EDBDMN CN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000153495715 442285967 /nfs/dbraw/zinc/28/59/67/442285967.db2.gz XGHILNSBSGSJIA-LBPRGKRZSA-N 0 1 338.433 1.560 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000172014569 442399294 /nfs/dbraw/zinc/39/92/94/442399294.db2.gz SCZGEDRZMWFYFI-UHFFFAOYSA-N 0 1 327.406 1.618 20 5 EDBDMN CC(C)c1nnc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1C ZINC000180206809 442558497 /nfs/dbraw/zinc/55/84/97/442558497.db2.gz YHBRAYOYWBDZMS-UHFFFAOYSA-N 0 1 343.347 1.653 20 5 EDBDMN C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187578799 442681813 /nfs/dbraw/zinc/68/18/13/442681813.db2.gz YIKMPHBPSMPEAU-LBPRGKRZSA-N 0 1 336.392 1.056 20 5 EDBDMN COC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000188171440 442719799 /nfs/dbraw/zinc/71/97/99/442719799.db2.gz PSFZMRACLPUTAF-MWLCHTKSSA-N 0 1 334.332 1.347 20 5 EDBDMN O=C(c1cccc2nn[nH]c21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188502860 442757417 /nfs/dbraw/zinc/75/74/17/442757417.db2.gz XSELTTFLITZQAR-UHFFFAOYSA-N 0 1 339.311 1.770 20 5 EDBDMN CC(C)C(=O)NCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329495 442757776 /nfs/dbraw/zinc/75/77/76/442757776.db2.gz CYXIIYWONPLJOO-CYBMUJFWSA-N 0 1 339.392 1.039 20 5 EDBDMN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000188647891 442778364 /nfs/dbraw/zinc/77/83/64/442778364.db2.gz MVWIJLFZIBTPAK-VIIAAUOXSA-N 0 1 347.415 1.912 20 5 EDBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000194018666 442829653 /nfs/dbraw/zinc/82/96/53/442829653.db2.gz GGTSPOCHHJQPNY-SNVBAGLBSA-N 0 1 345.359 1.602 20 5 EDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000248665113 442914971 /nfs/dbraw/zinc/91/49/71/442914971.db2.gz LSOUENGFFDDGSS-CJNGLKHVSA-N 0 1 343.387 1.986 20 5 EDBDMN C[C@@H](C(=O)NCCN1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189415439 442946654 /nfs/dbraw/zinc/94/66/54/442946654.db2.gz HLPKRFGNMITZRD-GFCCVEGCSA-N 0 1 339.367 1.676 20 5 EDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190086846 443055913 /nfs/dbraw/zinc/05/59/13/443055913.db2.gz UAICYEODGAYCOD-NSHDSACASA-N 0 1 336.392 1.094 20 5 EDBDMN CCn1c(SCc2nn[nH]n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000269029241 443176872 /nfs/dbraw/zinc/17/68/72/443176872.db2.gz UGFFPVZAQUVJQZ-UHFFFAOYSA-N 0 1 332.349 1.679 20 5 EDBDMN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269215410 443236275 /nfs/dbraw/zinc/23/62/75/443236275.db2.gz XTUOGGYHEQZAJY-GFCCVEGCSA-N 0 1 335.360 1.821 20 5 EDBDMN C[C@H](O)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCO1 ZINC000414027808 319312258 /nfs/dbraw/zinc/31/22/58/319312258.db2.gz BLXDIIKSWQTWEE-BONVTDFDSA-N 0 1 346.343 1.207 20 5 EDBDMN CCc1nnc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000416437768 319425223 /nfs/dbraw/zinc/42/52/23/319425223.db2.gz IIXQISWFTIWIFY-UHFFFAOYSA-N 0 1 340.361 1.636 20 5 EDBDMN Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000185832317 443266219 /nfs/dbraw/zinc/26/62/19/443266219.db2.gz ZMERPLNTTPMDRI-UHFFFAOYSA-N 0 1 325.350 1.016 20 5 EDBDMN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncn[nH]1 ZINC000269432508 443309617 /nfs/dbraw/zinc/30/96/17/443309617.db2.gz OLYKDZZGKPFAFU-UHFFFAOYSA-N 0 1 344.253 1.574 20 5 EDBDMN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000269432508 443309618 /nfs/dbraw/zinc/30/96/18/443309618.db2.gz OLYKDZZGKPFAFU-UHFFFAOYSA-N 0 1 344.253 1.574 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000269484825 443322533 /nfs/dbraw/zinc/32/25/33/443322533.db2.gz WTPSHHMEEJHJHJ-JTQLQIEISA-N 0 1 338.364 1.666 20 5 EDBDMN 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1.336 20 5 EDBDMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839715114 593372938 /nfs/dbraw/zinc/37/29/38/593372938.db2.gz NZTJJUXTTSWLKN-ARFHVFGLSA-N 0 1 334.372 1.868 20 5 EDBDMN COC(=O)c1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000839728447 593374920 /nfs/dbraw/zinc/37/49/20/593374920.db2.gz MLYBENRLEAESOD-MXWKQRLJSA-N 0 1 346.261 1.858 20 5 EDBDMN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839747563 593378566 /nfs/dbraw/zinc/37/85/66/593378566.db2.gz KARZLWLNERBBEB-KXUCPTDWSA-N 0 1 334.250 1.400 20 5 EDBDMN Cc1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000839749943 593379173 /nfs/dbraw/zinc/37/91/73/593379173.db2.gz FZNLTUYZNFXACF-FMKGYKFTSA-N 0 1 340.401 1.251 20 5 EDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000817743928 593628151 /nfs/dbraw/zinc/62/81/51/593628151.db2.gz NBVRADOVKODAHB-IUCAKERBSA-N 0 1 341.751 1.982 20 5 EDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000817743928 593628152 /nfs/dbraw/zinc/62/81/52/593628152.db2.gz NBVRADOVKODAHB-IUCAKERBSA-N 0 1 341.751 1.982 20 5 EDBDMN COc1cc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000820759285 593883879 /nfs/dbraw/zinc/88/38/79/593883879.db2.gz NTHPGSKEZBKZGT-LLVKDONJSA-N 0 1 338.316 1.309 20 5 EDBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NN=c2nccc[nH]2)cc1Cl ZINC000821144707 593976376 /nfs/dbraw/zinc/97/63/76/593976376.db2.gz IVFJDHJBNYVZRT-UHFFFAOYSA-N 0 1 347.715 1.483 20 5 EDBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[nH]n1 ZINC000822200122 594008685 /nfs/dbraw/zinc/00/86/85/594008685.db2.gz VKAOAWPRXGCHML-QMMMGPOBSA-N 0 1 328.336 1.850 20 5 EDBDMN Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857673 594781428 /nfs/dbraw/zinc/78/14/28/594781428.db2.gz URSJHGXTDMIPMS-CMPLNLGQSA-N 0 1 335.360 1.884 20 5 EDBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000833505832 594861457 /nfs/dbraw/zinc/86/14/57/594861457.db2.gz OIHXHWOGMVHUPS-KGLIPLIRSA-N 0 1 326.349 1.438 20 5 EDBDMN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCC(=O)[O-] ZINC000833619407 594887282 /nfs/dbraw/zinc/88/72/82/594887282.db2.gz ASLUBYKBGFUAKE-GFCCVEGCSA-N 0 1 335.360 1.145 20 5 EDBDMN C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283775 594946909 /nfs/dbraw/zinc/94/69/09/594946909.db2.gz NRIFCMFJWIPZDT-VBNZEHGJSA-N 0 1 348.403 1.818 20 5 EDBDMN CC[C@@H](C)N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000837004732 595023029 /nfs/dbraw/zinc/02/30/29/595023029.db2.gz AUUIHQFAPMYBNT-CYBMUJFWSA-N 0 1 345.403 1.887 20 5 EDBDMN O=C(NC1CC1)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837505398 595127635 /nfs/dbraw/zinc/12/76/35/595127635.db2.gz XQZDNOUKBCMBAG-UHFFFAOYSA-N 0 1 334.328 1.793 20 5 EDBDMN O=C([O-])Cc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000844206413 595302250 /nfs/dbraw/zinc/30/22/50/595302250.db2.gz ATGKXQGOHJSLAT-CQSZACIVSA-N 0 1 349.387 1.523 20 5 EDBDMN O=C(CCN1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844432265 595342638 /nfs/dbraw/zinc/34/26/38/595342638.db2.gz FCXHUWRWGQNXOE-LYSPQLLHSA-N 0 1 341.364 1.268 20 5 EDBDMN Cc1nn(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000848503043 595398162 /nfs/dbraw/zinc/39/81/62/595398162.db2.gz VGEYKMLFDKGSMI-NXEZZACHSA-N 0 1 349.313 1.589 20 5 EDBDMN CN1C[C@H]2CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000848591116 595411516 /nfs/dbraw/zinc/41/15/16/595411516.db2.gz SLBUODIXDQGGRZ-ZWNOBZJWSA-N 0 1 341.314 1.729 20 5 EDBDMN Cc1nc([C@H](C)NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000848590855 595411637 /nfs/dbraw/zinc/41/16/37/595411637.db2.gz WUQFOFSSVVTHBO-ZETCQYMHSA-N 0 1 341.274 1.870 20 5 EDBDMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849419066 595524110 /nfs/dbraw/zinc/52/41/10/595524110.db2.gz JXGXXCLFEYUGKB-SNVBAGLBSA-N 0 1 345.396 1.885 20 5 EDBDMN CCS(=O)(=O)C1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000853116324 595669752 /nfs/dbraw/zinc/66/97/52/595669752.db2.gz IERLQRPXBAXTRB-CYBMUJFWSA-N 0 1 328.390 1.185 20 5 EDBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000857973779 595672817 /nfs/dbraw/zinc/67/28/17/595672817.db2.gz NPAVJJTVXVWGGT-VIFPVBQESA-N 0 1 343.343 1.863 20 5 EDBDMN COc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1C ZINC000853266650 595723526 /nfs/dbraw/zinc/72/35/26/595723526.db2.gz MJRNWCYNOKMVSA-CJNGLKHVSA-N 0 1 335.404 1.947 20 5 EDBDMN COCCN1CCC[C@H]1COC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000861033961 595870787 /nfs/dbraw/zinc/87/07/87/595870787.db2.gz AJYUSODWLZNRJS-LBPRGKRZSA-N 0 1 338.360 1.871 20 5 EDBDMN COCCn1c(=O)cc(O)nc1SCc1cccc([N+](=O)[O-])c1 ZINC000853779152 595878354 /nfs/dbraw/zinc/87/83/54/595878354.db2.gz OQSKTGYRWGELNQ-UHFFFAOYSA-N 0 1 337.357 1.796 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OC2CC[NH+](C)CC2)c1F ZINC000854357346 596051131 /nfs/dbraw/zinc/05/11/31/596051131.db2.gz AGLVZLWBFVYZOM-UHFFFAOYSA-N 0 1 329.303 1.937 20 5 EDBDMN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1=O ZINC000852578264 596204380 /nfs/dbraw/zinc/20/43/80/596204380.db2.gz ZNSNRKLWLSOJHA-UHFFFAOYSA-N 0 1 338.339 1.227 20 5 EDBDMN CCOCCN1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121185912 596297548 /nfs/dbraw/zinc/29/75/48/596297548.db2.gz OUKKWSLPANLCJJ-UHFFFAOYSA-N 0 1 347.419 1.865 20 5 EDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000120521795 596561781 /nfs/dbraw/zinc/56/17/81/596561781.db2.gz IRKDZNNWYFFIRY-SNVBAGLBSA-N 0 1 343.343 1.936 20 5 EDBDMN O=[N+]([O-])c1ccc(CCNCc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000865451601 596579190 /nfs/dbraw/zinc/57/91/90/596579190.db2.gz SYOINVFLRSQVJQ-MRXNPFEDSA-N 0 1 331.376 1.698 20 5 EDBDMN CC(C)(O)CN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865499596 596592232 /nfs/dbraw/zinc/59/22/32/596592232.db2.gz KTTVVJUKGYFIPL-UHFFFAOYSA-N 0 1 327.356 1.119 20 5 EDBDMN Cc1ccc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868372391 596809602 /nfs/dbraw/zinc/80/96/02/596809602.db2.gz UDIADZWUALYHIX-AWEZNQCLSA-N 0 1 349.435 1.338 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000866285322 596847392 /nfs/dbraw/zinc/84/73/92/596847392.db2.gz YLYNVEXTHJTHGH-GFCCVEGCSA-N 0 1 332.282 1.946 20 5 EDBDMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866393529 596874591 /nfs/dbraw/zinc/87/45/91/596874591.db2.gz GUJVWQRTGJRVAY-LLVKDONJSA-N 0 1 345.396 1.805 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](C)CN(C)C ZINC000882196018 597893063 /nfs/dbraw/zinc/89/30/63/597893063.db2.gz ALMSCLHZAHGDQJ-VIFPVBQESA-N 0 1 335.813 1.785 20 5 EDBDMN Cc1c(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153828515 696616658 /nfs/dbraw/zinc/61/66/58/696616658.db2.gz KKPDAPXYXLRFFA-IUCAKERBSA-N 0 1 336.348 1.942 20 5 EDBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1coc2cc(F)ccc12 ZINC000995001420 699871550 /nfs/dbraw/zinc/87/15/50/699871550.db2.gz NBOQUFFCDUXEDK-DGCLKSJQSA-N 0 1 347.302 1.178 20 5 EDBDMN CCc1occc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940904996 700978581 /nfs/dbraw/zinc/97/85/81/700978581.db2.gz MBEQGNIYKDFEJW-CHWSQXEVSA-N 0 1 335.360 1.182 20 5 EDBDMN CC1(CC(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC000940941900 701008976 /nfs/dbraw/zinc/00/89/76/701008976.db2.gz SUHXUGUEBJOSGH-ZIAGYGMSSA-N 0 1 337.420 1.683 20 5 EDBDMN CCC(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944862857 704705236 /nfs/dbraw/zinc/70/52/36/704705236.db2.gz YDJHUISYAVHNRW-ZIAGYGMSSA-N 0 1 337.420 1.539 20 5 EDBDMN Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)o1 ZINC000944933033 704790309 /nfs/dbraw/zinc/79/03/09/704790309.db2.gz DGYHGFRVTWYOTG-CHWSQXEVSA-N 0 1 347.371 1.318 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C(=O)C3CC=CC3)C2)CC1 ZINC000944935056 704792199 /nfs/dbraw/zinc/79/21/99/704792199.db2.gz YFNXYXIZIYLZAB-ZIAGYGMSSA-N 0 1 333.388 1.069 20 5 EDBDMN CC/C=C(\C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001060928274 707936839 /nfs/dbraw/zinc/93/68/39/707936839.db2.gz SNKXHEFRDINVKT-AQIXGVPMSA-N 0 1 335.404 1.459 20 5 EDBDMN CC(C)(C)/C=C\C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001060954367 708044566 /nfs/dbraw/zinc/04/45/66/708044566.db2.gz PHCHZEOYQIOOGC-UUSXEQNQSA-N 0 1 349.431 1.705 20 5 EDBDMN CC(C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061006193 708155879 /nfs/dbraw/zinc/15/58/79/708155879.db2.gz SJIHPSUFPULSBD-ZIAGYGMSSA-N 0 1 337.420 1.539 20 5 EDBDMN O=C(NCC1CN(C(=O)c2sccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001806226 708295600 /nfs/dbraw/zinc/29/56/00/708295600.db2.gz TYMPQLORICALRE-PSASIEDQSA-N 0 1 343.792 1.255 20 5 EDBDMN O=C(NCC1CN(C(=O)c2ccoc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001800453 708314071 /nfs/dbraw/zinc/31/40/71/708314071.db2.gz YHCIYIAEAVJLEH-CHWSQXEVSA-N 0 1 333.344 1.010 20 5 EDBDMN Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001001803706 708316630 /nfs/dbraw/zinc/31/66/30/708316630.db2.gz TVVYYNJNTHQWRM-HUUCEWRRSA-N 0 1 331.372 1.157 20 5 EDBDMN CCc1ccsc1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001002469445 709001623 /nfs/dbraw/zinc/00/16/23/709001623.db2.gz JEJRNSVWBIBVSB-VXGBXAGGSA-N 0 1 337.401 1.164 20 5 EDBDMN CC(C)c1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001002505823 709051286 /nfs/dbraw/zinc/05/12/86/709051286.db2.gz BXTRZZLNRPBNHU-UKRRQHHQSA-N 0 1 346.387 1.058 20 5 EDBDMN O=C(Cc1cc[nH]n1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002512633 709060301 /nfs/dbraw/zinc/06/03/01/709060301.db2.gz WSADQYOWJAPGEJ-UHFFFAOYSA-N 0 1 343.387 1.641 20 5 EDBDMN Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C ZINC001004585445 712019196 /nfs/dbraw/zinc/01/91/96/712019196.db2.gz UAEMXECSSIIDHH-VXGBXAGGSA-N 0 1 337.401 1.218 20 5 EDBDMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103284714 219283968 /nfs/dbraw/zinc/28/39/68/219283968.db2.gz BZCISSKIJBCXRP-JQWIXIFHSA-N 0 1 345.359 1.731 20 5 EDBDMN COc1cc(OCC(=O)N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068854460 215340830 /nfs/dbraw/zinc/34/08/30/215340830.db2.gz XYUWOZHXAGSBEX-UHFFFAOYSA-N 0 1 337.376 1.535 20 5 EDBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413056005 304053600 /nfs/dbraw/zinc/05/36/00/304053600.db2.gz UWTYVEYFIQYZGF-UHFFFAOYSA-N 0 1 343.387 1.353 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(C)C)CC1 ZINC000075634847 138243497 /nfs/dbraw/zinc/24/34/97/138243497.db2.gz QYLBMQGKWPWDRZ-UHFFFAOYSA-N 0 1 336.392 1.568 20 5 EDBDMN CCOC[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081519061 138266949 /nfs/dbraw/zinc/26/69/49/138266949.db2.gz LHHBJVILPSNURF-ZDUSSCGKSA-N 0 1 333.388 1.842 20 5 EDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186941919 236073209 /nfs/dbraw/zinc/07/32/09/236073209.db2.gz FRVBYQRIQXSDLP-AWEZNQCLSA-N 0 1 349.431 1.831 20 5 EDBDMN COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000019775044 212064607 /nfs/dbraw/zinc/06/46/07/212064607.db2.gz IFSLQRTXOFOXRS-JTQLQIEISA-N 0 1 337.332 1.339 20 5 EDBDMN COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000019775044 212064608 /nfs/dbraw/zinc/06/46/08/212064608.db2.gz IFSLQRTXOFOXRS-JTQLQIEISA-N 0 1 337.332 1.339 20 5 EDBDMN COc1cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000249462901 139193640 /nfs/dbraw/zinc/19/36/40/139193640.db2.gz ZZRMCIZZVCMHAS-RYUDHWBXSA-N 0 1 341.383 1.629 20 5 EDBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(C(N)=O)co1 ZINC000187724729 272952215 /nfs/dbraw/zinc/95/22/15/272952215.db2.gz OMDAQDNEYMQRAA-JTQLQIEISA-N 0 1 346.343 1.794 20 5 EDBDMN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262799732 139304570 /nfs/dbraw/zinc/30/45/70/139304570.db2.gz VBNMDJNCKIZQBI-WCBMZHEXSA-N 0 1 333.797 1.525 20 5 EDBDMN CCOC(=O)c1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422833584 251992870 /nfs/dbraw/zinc/99/28/70/251992870.db2.gz YZJUHRMCJTVKQZ-QWRGUYRKSA-N 0 1 335.360 1.594 20 5 EDBDMN COc1cc(OCC(=O)N2[C@H](C)CN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155324328 533090304 /nfs/dbraw/zinc/09/03/04/533090304.db2.gz BCYNHOOUMIDXNS-TXEJJXNPSA-N 0 1 337.376 1.533 20 5 EDBDMN COc1ccc([C@@H](CO)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159823270 533127754 /nfs/dbraw/zinc/12/77/54/533127754.db2.gz CQMGUUFLLCSBCQ-MRXNPFEDSA-N 0 1 347.371 1.431 20 5 EDBDMN Cc1cc(C[C@@H](C)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000487528462 255031963 /nfs/dbraw/zinc/03/19/63/255031963.db2.gz TYQCYOOIEGDUMP-LLVKDONJSA-N 0 1 346.391 1.969 20 5 EDBDMN COC(=O)[C@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000153208051 533211691 /nfs/dbraw/zinc/21/16/91/533211691.db2.gz YVALILGDYRZMGR-BXKDBHETSA-N 0 1 332.316 1.598 20 5 EDBDMN C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1CCO ZINC000416288980 304303073 /nfs/dbraw/zinc/30/30/73/304303073.db2.gz 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ZINC000189448251 442956224 /nfs/dbraw/zinc/95/62/24/442956224.db2.gz RVDYQWLHQKHGFQ-CYBMUJFWSA-N 0 1 338.456 1.576 20 5 EDBDMN Cc1c(NC(=O)CCN2CC[C@@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249594349 442992535 /nfs/dbraw/zinc/99/25/35/442992535.db2.gz WJPZYYIQONWRPC-ABAIWWIYSA-N 0 1 348.403 1.818 20 5 EDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237726220 443180775 /nfs/dbraw/zinc/18/07/75/443180775.db2.gz DOLZHJYGVXIGFX-ZACCUICWSA-N 0 1 345.808 1.810 20 5 EDBDMN Cc1c([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC000299417458 318901458 /nfs/dbraw/zinc/90/14/58/318901458.db2.gz QWNJMZWVJCDWHJ-QMMMGPOBSA-N 0 1 342.352 1.815 20 5 EDBDMN CNc1nc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351100887 319092637 /nfs/dbraw/zinc/09/26/37/319092637.db2.gz ZHNXXOMSFXUOSP-JOYOIKCWSA-N 0 1 346.347 1.617 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](F)C[C@H]1CO ZINC000411610652 319188032 /nfs/dbraw/zinc/18/80/32/319188032.db2.gz 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0 1 332.364 1.537 20 5 EDBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCc4cn[nH]c4C3)n2)c1 ZINC000611008680 450404258 /nfs/dbraw/zinc/40/42/58/450404258.db2.gz GSKCHKSVGWFPLK-UHFFFAOYSA-N 0 1 326.316 1.926 20 5 EDBDMN Cc1c(NC(=O)[C@@H](C)N2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286206341 443667612 /nfs/dbraw/zinc/66/76/12/443667612.db2.gz OFAXIGTVCBIQIS-YUSALJHKSA-N 0 1 334.376 1.283 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cn[nH]c2C1 ZINC000611009164 450404993 /nfs/dbraw/zinc/40/49/93/450404993.db2.gz URVSFEPMMWWYSO-UHFFFAOYSA-N 0 1 331.332 1.323 20 5 EDBDMN Cn1cc(N2CC[C@@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2=O)cn1 ZINC000519762662 320472795 /nfs/dbraw/zinc/47/27/95/320472795.db2.gz BNNOQXVVQCPZMG-HUUCEWRRSA-N 0 1 341.371 1.711 20 5 EDBDMN C[C@@H]1COCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000285226655 443902355 /nfs/dbraw/zinc/90/23/55/443902355.db2.gz AVGKIXBZIHTUTN-ZJUUUORDSA-N 0 1 332.353 1.685 20 5 EDBDMN CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] 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YFMTYGQKSIPSQI-HNNXBMFYSA-N 0 1 347.415 1.967 20 5 EDBDMN CN(C[C@H]1CCCN(C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897043 444195992 /nfs/dbraw/zinc/19/59/92/444195992.db2.gz QUZVJYOUYPYNCH-LBPRGKRZSA-N 0 1 341.433 1.776 20 5 EDBDMN CC[C@@H](C)N1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000297016812 444268270 /nfs/dbraw/zinc/26/82/70/444268270.db2.gz RHSWPBCCUASSQX-GFCCVEGCSA-N 0 1 337.424 1.741 20 5 EDBDMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526799 444475519 /nfs/dbraw/zinc/47/55/19/444475519.db2.gz OTVFSVGIOHNJKY-QMTHXVAHSA-N 0 1 325.390 1.356 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000338014346 444486565 /nfs/dbraw/zinc/48/65/65/444486565.db2.gz GMSAIVHXENVCOX-OAHLLOKOSA-N 0 1 335.404 1.990 20 5 EDBDMN CC(C)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000580897589 322109873 /nfs/dbraw/zinc/10/98/73/322109873.db2.gz BSXICSPEINQSIW-CYBMUJFWSA-N 0 1 341.433 1.842 20 5 EDBDMN CC(C)c1nc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000581771007 322218230 /nfs/dbraw/zinc/21/82/30/322218230.db2.gz XSWNJULLNGNAQS-UHFFFAOYSA-N 0 1 348.363 1.715 20 5 EDBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000341297877 444766508 /nfs/dbraw/zinc/76/65/08/444766508.db2.gz YUBITESNTHDVKJ-UHFFFAOYSA-N 0 1 341.415 2.316 20 5 EDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342920274 444941065 /nfs/dbraw/zinc/94/10/65/444941065.db2.gz KCJMGMRILQLXSL-LBPRGKRZSA-N 0 1 345.403 1.442 20 5 EDBDMN Cc1n[nH]c(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061097 445034888 /nfs/dbraw/zinc/03/48/88/445034888.db2.gz CBHZQAQZIKWQPJ-STQMWFEESA-N 0 1 329.360 1.454 20 5 EDBDMN CS(=O)(=O)[C@H]1CCCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339130448 445047550 /nfs/dbraw/zinc/04/75/50/445047550.db2.gz VMAKAKCQWXFAML-ZDUSSCGKSA-N 0 1 328.390 1.700 20 5 EDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000339204296 445087608 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DCIAXGUWOUYIPK-LLVKDONJSA-N 0 1 339.396 1.111 20 5 EDBDMN CCCc1n[n-]c(C(=O)NC[C@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000345636946 143115072 /nfs/dbraw/zinc/11/50/72/143115072.db2.gz DCIAXGUWOUYIPK-LLVKDONJSA-N 0 1 339.396 1.111 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)CC[C@@H]2C1 ZINC000346444100 143205402 /nfs/dbraw/zinc/20/54/02/143205402.db2.gz BGFMKHNSLKEQQF-CQSZACIVSA-N 0 1 346.387 1.538 20 5 EDBDMN Cc1noc([C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000347364834 143313055 /nfs/dbraw/zinc/31/30/55/143313055.db2.gz CWSMRDXKUHSVKL-VIFPVBQESA-N 0 1 342.315 1.792 20 5 EDBDMN COc1c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000347780718 143362218 /nfs/dbraw/zinc/36/22/18/143362218.db2.gz WNBWZYJCPUHMLY-UONOGXRCSA-N 0 1 335.360 1.149 20 5 EDBDMN CO[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000319581495 286100844 /nfs/dbraw/zinc/10/08/44/286100844.db2.gz VGAKCZUUXYHQKO-MNOVXSKESA-N 0 1 332.353 1.826 20 5 EDBDMN COc1cc2c(cc1OC)CCN(Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000370046836 155299949 /nfs/dbraw/zinc/29/99/49/155299949.db2.gz UFRUAWOTQRUETG-UHFFFAOYSA-N 0 1 346.387 1.946 20 5 EDBDMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000156259751 297113905 /nfs/dbraw/zinc/11/39/05/297113905.db2.gz DMXLMNLLLCIVBS-DTWKUNHWSA-N 0 1 333.797 1.619 20 5 EDBDMN Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360664794 152145002 /nfs/dbraw/zinc/14/50/02/152145002.db2.gz IHCDXGROVGIOKR-NEPJUHHUSA-N 0 1 327.406 1.664 20 5 EDBDMN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360664794 152145004 /nfs/dbraw/zinc/14/50/04/152145004.db2.gz IHCDXGROVGIOKR-NEPJUHHUSA-N 0 1 327.406 1.664 20 5 EDBDMN O=[N+]([O-])c1cnccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000361004420 152275808 /nfs/dbraw/zinc/27/58/08/152275808.db2.gz YAXZODQFRHHBMI-UHFFFAOYSA-N 0 1 326.316 1.721 20 5 EDBDMN CN(CC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000361277610 152351689 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1.154 20 5 EDBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000371825612 156124296 /nfs/dbraw/zinc/12/42/96/156124296.db2.gz WUMBBYPPAPWYEN-IRXDYDNUSA-N 0 1 335.404 1.777 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)s1 ZINC000371924184 156169113 /nfs/dbraw/zinc/16/91/13/156169113.db2.gz XZMDNBSAFOHYSS-UHFFFAOYSA-N 0 1 343.390 1.343 20 5 EDBDMN CN(C(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372159123 156249003 /nfs/dbraw/zinc/24/90/03/156249003.db2.gz XRFGZJKNLXMKHX-ZIAGYGMSSA-N 0 1 333.388 1.916 20 5 EDBDMN Cc1cc(N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000374153083 157167512 /nfs/dbraw/zinc/16/75/12/157167512.db2.gz FBNUACZZZQVPKS-DOTOQJQBSA-N 0 1 348.447 1.744 20 5 EDBDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000377955822 158038827 /nfs/dbraw/zinc/03/88/27/158038827.db2.gz FBDIWFLFSWGTDN-SNVBAGLBSA-N 0 1 343.343 1.239 20 5 EDBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000378529562 158201357 /nfs/dbraw/zinc/20/13/57/158201357.db2.gz NQRDUZOPMVJHGJ-CQSZACIVSA-N 0 1 341.331 1.205 20 5 EDBDMN CCN(CC)CCS(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352322958 162117468 /nfs/dbraw/zinc/11/74/68/162117468.db2.gz WGLRZRSTTWPNIS-GFCCVEGCSA-N 0 1 329.422 1.917 20 5 EDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN(C)C)C(C)C ZINC000123528370 287388550 /nfs/dbraw/zinc/38/85/50/287388550.db2.gz ZXUUYUHZGGHHCI-UHFFFAOYSA-N 0 1 329.422 1.864 20 5 EDBDMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273698521 268072915 /nfs/dbraw/zinc/07/29/15/268072915.db2.gz NHDIQPKPQBGZHK-SMDDNHRTSA-N 0 1 339.417 1.497 20 5 EDBDMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000273925506 268094857 /nfs/dbraw/zinc/09/48/57/268094857.db2.gz JZBOHCQZNJOCAJ-VIFPVBQESA-N 0 1 339.377 1.876 20 5 EDBDMN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276046364 268393704 /nfs/dbraw/zinc/39/37/04/268393704.db2.gz HRTYWAKKAZEMIA-UHFFFAOYSA-N 0 1 327.406 1.895 20 5 EDBDMN CN1CCO[C@H](CN(CC2CC2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000276489201 273166129 /nfs/dbraw/zinc/16/61/29/273166129.db2.gz ORFIJZMDSBIBNL-INIZCTEOSA-N 0 1 349.387 1.483 20 5 EDBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000276902712 273168733 /nfs/dbraw/zinc/16/87/33/273168733.db2.gz NWIVVUIQZGGUME-JTQLQIEISA-N 0 1 326.353 1.820 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000279997418 273338598 /nfs/dbraw/zinc/33/85/98/273338598.db2.gz MDLPFDHARMYXOG-MEBBXXQBSA-N 0 1 338.364 1.461 20 5 EDBDMN CNC(=O)[C@@]1(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280675745 273384373 /nfs/dbraw/zinc/38/43/73/273384373.db2.gz FNLWIYOKNQFQFZ-INIZCTEOSA-N 0 1 345.359 1.603 20 5 EDBDMN Cc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1[N+](=O)[O-] ZINC000282855883 273728409 /nfs/dbraw/zinc/72/84/09/273728409.db2.gz GWSVABALFGIOIC-NSHDSACASA-N 0 1 331.332 1.334 20 5 EDBDMN CC(C)(C(=O)N1CC[C@](O)(c2c[nH]nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000284592187 274256321 /nfs/dbraw/zinc/25/63/21/274256321.db2.gz KTDIIUCJYJGTTB-MRXNPFEDSA-N 0 1 345.359 1.111 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000285910854 287888949 /nfs/dbraw/zinc/88/89/49/287888949.db2.gz DJLNTUQKAPNBIR-AWEZNQCLSA-N 0 1 328.328 1.482 20 5 EDBDMN C[C@H]1[C@H](N2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357605157 280115897 /nfs/dbraw/zinc/11/58/97/280115897.db2.gz VIFVILXBIUIXDC-XHDPSFHLSA-N 0 1 331.376 1.771 20 5 EDBDMN CN1CCN(C(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000338272625 290010896 /nfs/dbraw/zinc/01/08/96/290010896.db2.gz COISTKYCWBFZRI-UHFFFAOYSA-N 0 1 346.431 1.723 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C(=O)C2CC2)C1 ZINC000422018414 447310026 /nfs/dbraw/zinc/31/00/26/447310026.db2.gz UBSMAAKZUAWJIF-UHFFFAOYSA-N 0 1 329.316 1.123 20 5 EDBDMN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420467966 304762078 /nfs/dbraw/zinc/76/20/78/304762078.db2.gz TZJOVTFONIZXOX-NSHDSACASA-N 0 1 347.824 1.915 20 5 EDBDMN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293900914 303035912 /nfs/dbraw/zinc/03/59/12/303035912.db2.gz NQCCEXHXFATPFA-CHWSQXEVSA-N 0 1 342.373 1.386 20 5 EDBDMN C[C@@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)N1C ZINC000294502605 303116754 /nfs/dbraw/zinc/11/67/54/303116754.db2.gz ZZPBJOMAKXWCOG-ZOWXZIJZSA-N 0 1 346.387 1.251 20 5 EDBDMN Cc1ncc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000294697913 303136888 /nfs/dbraw/zinc/13/68/88/303136888.db2.gz XBDJHVIXYBQASQ-UHFFFAOYSA-N 0 1 343.343 1.225 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c1[N+](=O)[O-] ZINC000294736825 303140882 /nfs/dbraw/zinc/14/08/82/303140882.db2.gz LXUPENJGUOJGKV-CYBMUJFWSA-N 0 1 349.391 1.257 20 5 EDBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C(C)(C)C(N)=O ZINC000296139232 303298186 /nfs/dbraw/zinc/29/81/86/303298186.db2.gz PLFUMTMXCDSLHW-UHFFFAOYSA-N 0 1 331.332 1.321 20 5 EDBDMN 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COC(=O)COc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000274387200 268132711 /nfs/dbraw/zinc/13/27/11/268132711.db2.gz HTBBRJSBAAMTSS-SECBINFHSA-N 0 1 348.315 1.361 20 5 EDBDMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1OC ZINC000274945980 268246348 /nfs/dbraw/zinc/24/63/48/268246348.db2.gz RFWNFLADQCANNJ-XZJROXQQSA-N 0 1 340.376 1.894 20 5 EDBDMN O=[N+]([O-])c1cc(CN(CCO)C2CCOCC2)c2c(c1)COCO2 ZINC000275637683 268367114 /nfs/dbraw/zinc/36/71/14/268367114.db2.gz VWHXOFHGOLEAGV-UHFFFAOYSA-N 0 1 338.360 1.435 20 5 EDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279251856 273288965 /nfs/dbraw/zinc/28/89/65/273288965.db2.gz SAPAUWXXQRPZQP-LLVKDONJSA-N 0 1 336.344 1.711 20 5 EDBDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C=Cc2ccccc2[N+](=O)[O-])C1 ZINC000284825429 274347815 /nfs/dbraw/zinc/34/78/15/274347815.db2.gz AQIDEFWVWLACCB-WDYNUWJLSA-N 0 1 343.343 1.715 20 5 EDBDMN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000284848014 274357965 /nfs/dbraw/zinc/35/79/65/274357965.db2.gz RJFMIEOUWYMJHX-CYBMUJFWSA-N 0 1 334.332 1.794 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284892551 274376369 /nfs/dbraw/zinc/37/63/69/274376369.db2.gz HETBJTZPBDWIOC-AWEZNQCLSA-N 0 1 332.320 1.147 20 5 EDBDMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264103467 277372485 /nfs/dbraw/zinc/37/24/85/277372485.db2.gz ARTLQSDNNCLOQY-LBPRGKRZSA-N 0 1 344.327 1.366 20 5 EDBDMN COc1ccnc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000339028042 278066149 /nfs/dbraw/zinc/06/61/49/278066149.db2.gz VJWOOLMFHXFFPC-UHFFFAOYSA-N 0 1 345.359 1.421 20 5 EDBDMN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nnc[nH]1 ZINC000176733855 278234754 /nfs/dbraw/zinc/23/47/54/278234754.db2.gz QMFGVYDFZSAMLO-NSHDSACASA-N 0 1 344.375 1.807 20 5 EDBDMN CC[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])OCCc2ccccc21 ZINC000291245070 289024650 /nfs/dbraw/zinc/02/46/50/289024650.db2.gz ONDACCLLQUMPFZ-MRXNPFEDSA-N 0 1 330.344 1.926 20 5 EDBDMN CCN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000293818295 303023702 /nfs/dbraw/zinc/02/37/02/303023702.db2.gz FWEWPKADVHOEFN-LSDHHAIUSA-N 0 1 334.376 1.112 20 5 EDBDMN CC[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293910001 303037083 /nfs/dbraw/zinc/03/70/83/303037083.db2.gz NSHAGWFHRIZOQN-UAEOLWBESA-N 0 1 345.399 1.930 20 5 EDBDMN CCC[C@@H](C)C(=O)NCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293989506 303048676 /nfs/dbraw/zinc/04/86/76/303048676.db2.gz KIFVOXJWKUWYBT-SNVBAGLBSA-N 0 1 347.375 1.753 20 5 EDBDMN CC(C)CN(CC(N)=O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294505316 303117126 /nfs/dbraw/zinc/11/71/26/303117126.db2.gz VMPMVZQNVGWORE-UHFFFAOYSA-N 0 1 345.359 1.568 20 5 EDBDMN CN(CC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000295363586 303209373 /nfs/dbraw/zinc/20/93/73/303209373.db2.gz GZPJHOUXFNXNRY-UHFFFAOYSA-N 0 1 330.348 1.343 20 5 EDBDMN Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000295373144 303210734 /nfs/dbraw/zinc/21/07/34/303210734.db2.gz WVRHHGLWDUYDLU-NSHDSACASA-N 0 1 340.811 1.532 20 5 EDBDMN Cc1cc(Cl)c(C(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000295373144 303210736 /nfs/dbraw/zinc/21/07/36/303210736.db2.gz WVRHHGLWDUYDLU-NSHDSACASA-N 0 1 340.811 1.532 20 5 EDBDMN CCc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000296897515 303344708 /nfs/dbraw/zinc/34/47/08/303344708.db2.gz DNJAVDRLPOKZKS-UHFFFAOYSA-N 0 1 325.350 1.062 20 5 EDBDMN O=c1nc(CCCNc2c(Br)cncc2[N+](=O)[O-])[nH][nH]1 ZINC000301841309 303698966 /nfs/dbraw/zinc/69/89/66/303698966.db2.gz BMDKVHQDKLJECQ-UHFFFAOYSA-N 0 1 343.141 1.208 20 5 EDBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000428784105 305017390 /nfs/dbraw/zinc/01/73/90/305017390.db2.gz SJYIMSRIQGWIDI-KRWDZBQOSA-N 0 1 344.371 1.645 20 5 EDBDMN CN(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000430056312 305043901 /nfs/dbraw/zinc/04/39/01/305043901.db2.gz DDMJYIDRSFDOPZ-UHFFFAOYSA-N 0 1 337.361 1.393 20 5 EDBDMN Cc1nc(CN2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000432129598 305087873 /nfs/dbraw/zinc/08/78/73/305087873.db2.gz MAZUJMQLWZFHPR-UHFFFAOYSA-N 0 1 336.783 1.997 20 5 EDBDMN CCOC(=O)CC1(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000436480732 305158285 /nfs/dbraw/zinc/15/82/85/305158285.db2.gz XJBYSNMCDVTEKI-UHFFFAOYSA-N 0 1 328.346 1.822 20 5 EDBDMN CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000451768736 305368170 /nfs/dbraw/zinc/36/81/70/305368170.db2.gz AUSMUTRCDAQZOQ-BXKDBHETSA-N 0 1 348.352 1.064 20 5 EDBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548411956 306127371 /nfs/dbraw/zinc/12/73/71/306127371.db2.gz MUEJYMUNVXKQKK-UHFFFAOYSA-N 0 1 347.350 1.851 20 5 EDBDMN CN1CCN(C(=O)CCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554817239 306198365 /nfs/dbraw/zinc/19/83/65/306198365.db2.gz ASVURGLEZFNLDM-UHFFFAOYSA-N 0 1 332.404 1.117 20 5 EDBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000046478867 441110810 /nfs/dbraw/zinc/11/08/10/441110810.db2.gz PBGHKMRANLKNSQ-UHFFFAOYSA-N 0 1 343.387 1.353 20 5 EDBDMN CC(C)CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000070880847 441124985 /nfs/dbraw/zinc/12/49/85/441124985.db2.gz MYDDRMZTTAPWAC-UHFFFAOYSA-N 0 1 349.387 1.780 20 5 EDBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000047632815 441212773 /nfs/dbraw/zinc/21/27/73/441212773.db2.gz DQCLERVYIMKJHU-MRXNPFEDSA-N 0 1 333.388 1.922 20 5 EDBDMN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000063518992 441335303 /nfs/dbraw/zinc/33/53/03/441335303.db2.gz GGZBOCXWTKIDKO-CYBMUJFWSA-N 0 1 341.433 1.994 20 5 EDBDMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000106394912 441337238 /nfs/dbraw/zinc/33/72/38/441337238.db2.gz CZCGZPSQMRLQLU-KIUWMYQTSA-N 0 1 333.388 1.523 20 5 EDBDMN O=C1CCCN1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064141790 441365892 /nfs/dbraw/zinc/36/58/92/441365892.db2.gz LPRJXMUGOYACBT-UHFFFAOYSA-N 0 1 332.404 1.729 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnn(C)c1 ZINC000026256845 441372100 /nfs/dbraw/zinc/37/21/00/441372100.db2.gz LQKMAZTYDDWFPW-UHFFFAOYSA-N 0 1 347.375 1.798 20 5 EDBDMN Cc1[nH]ncc1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000051383095 441409518 /nfs/dbraw/zinc/40/95/18/441409518.db2.gz HHXDFLSRDYPYNQ-UHFFFAOYSA-N 0 1 331.332 1.063 20 5 EDBDMN CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000028027632 441423545 /nfs/dbraw/zinc/42/35/45/441423545.db2.gz MDSRWBJBMHULCZ-SNVBAGLBSA-N 0 1 346.343 1.886 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCC(CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000074515603 441443163 /nfs/dbraw/zinc/44/31/63/441443163.db2.gz FPRIEQVWEODBHM-UHFFFAOYSA-N 0 1 337.380 1.259 20 5 EDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053667188 441534916 /nfs/dbraw/zinc/53/49/16/441534916.db2.gz GIBWLFBMTWPSOB-NWDGAFQWSA-N 0 1 343.380 1.639 20 5 EDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000053667188 441534918 /nfs/dbraw/zinc/53/49/18/441534918.db2.gz GIBWLFBMTWPSOB-NWDGAFQWSA-N 0 1 343.380 1.639 20 5 EDBDMN Cc1[nH]ncc1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000076855145 441690163 /nfs/dbraw/zinc/69/01/63/441690163.db2.gz YMNPTGSPSYQFEZ-JTQLQIEISA-N 0 1 331.332 1.061 20 5 EDBDMN CN(CC(=O)N1CCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068014590 441710096 /nfs/dbraw/zinc/71/00/96/441710096.db2.gz RJXZMWOWQBNBSX-UHFFFAOYSA-N 0 1 331.332 1.166 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)cc1C ZINC000119072620 441914909 /nfs/dbraw/zinc/91/49/09/441914909.db2.gz AVYFIFVCBISRKQ-RYUDHWBXSA-N 0 1 327.406 1.583 20 5 EDBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1N1CCOCC1 ZINC000174812245 441970829 /nfs/dbraw/zinc/97/08/29/441970829.db2.gz WQONWYOQFJBQEB-UHFFFAOYSA-N 0 1 345.403 1.760 20 5 EDBDMN CC(C)(O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000153039708 442258112 /nfs/dbraw/zinc/25/81/12/442258112.db2.gz OXKJOEOXSFSDMK-UHFFFAOYSA-N 0 1 339.367 1.192 20 5 EDBDMN CCc1[nH]nc(C(=O)N(C)CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000177458788 442344024 /nfs/dbraw/zinc/34/40/24/442344024.db2.gz ANJANWSGJKQQEJ-UHFFFAOYSA-N 0 1 326.353 1.684 20 5 EDBDMN COc1ccccc1OC[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135221888 442569760 /nfs/dbraw/zinc/56/97/60/442569760.db2.gz GWGGKRZVJUDPMU-SNVBAGLBSA-N 0 1 334.332 1.771 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179348730 442627690 /nfs/dbraw/zinc/62/76/90/442627690.db2.gz AKAQTWUJBLGLHT-NSHDSACASA-N 0 1 333.352 1.362 20 5 EDBDMN CCN1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192851241 442692495 /nfs/dbraw/zinc/69/24/95/442692495.db2.gz LEZDFXNFOAOZNB-AWEZNQCLSA-N 0 1 327.406 1.499 20 5 EDBDMN COc1cc(OCC(=O)N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000188833189 442823860 /nfs/dbraw/zinc/82/38/60/442823860.db2.gz ATQUPZMIOKVMAZ-UHFFFAOYSA-N 0 1 335.360 1.289 20 5 EDBDMN COc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247115524 442836054 /nfs/dbraw/zinc/83/60/54/442836054.db2.gz RKYOPJZVSQFOHN-NWDGAFQWSA-N 0 1 337.376 1.899 20 5 EDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525276 442972688 /nfs/dbraw/zinc/97/26/88/442972688.db2.gz AGBPDLYDZJBVQA-BXUZGUMPSA-N 0 1 346.387 1.784 20 5 EDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189525276 442972689 /nfs/dbraw/zinc/97/26/89/442972689.db2.gz AGBPDLYDZJBVQA-BXUZGUMPSA-N 0 1 346.387 1.784 20 5 EDBDMN CCCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000184255139 443005746 /nfs/dbraw/zinc/00/57/46/443005746.db2.gz KVUPDSFSSMDRIA-LBPRGKRZSA-N 0 1 334.332 1.933 20 5 EDBDMN CCN(CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000189934028 443031660 /nfs/dbraw/zinc/03/16/60/443031660.db2.gz HPKRYSOCKVPQEP-UHFFFAOYSA-N 0 1 341.433 1.974 20 5 EDBDMN C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCC1=O ZINC000190325737 443085736 /nfs/dbraw/zinc/08/57/36/443085736.db2.gz CLHFBPVBGBCSMK-JTQLQIEISA-N 0 1 345.359 1.602 20 5 EDBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266326210 443098374 /nfs/dbraw/zinc/09/83/74/443098374.db2.gz GENRSVLJNGGTPE-NSHDSACASA-N 0 1 330.335 1.854 20 5 EDBDMN O=C(NCCN1CCC(O)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000296978164 318740755 /nfs/dbraw/zinc/74/07/55/318740755.db2.gz PAMXHIIRYCXHJV-UHFFFAOYSA-N 0 1 348.403 1.356 20 5 EDBDMN Cc1nc([C@H]2CN(C(=O)C=Cc3ccccc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000255690090 443107856 /nfs/dbraw/zinc/10/78/56/443107856.db2.gz KMRBSPWLWWDQQX-LMVHVUTASA-N 0 1 343.343 1.635 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268809085 443114687 /nfs/dbraw/zinc/11/46/87/443114687.db2.gz SPLLVGKTBRDGLQ-LBPRGKRZSA-N 0 1 336.373 1.982 20 5 EDBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1C ZINC000268841043 443124584 /nfs/dbraw/zinc/12/45/84/443124584.db2.gz YCRGFFBBJIIMFI-CYBMUJFWSA-N 0 1 341.433 1.926 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCNC(C)(C)C1 ZINC000415824098 319375212 /nfs/dbraw/zinc/37/52/12/319375212.db2.gz TWVSNFMJDDXQQJ-UHFFFAOYSA-N 0 1 334.376 1.361 20 5 EDBDMN COCCN1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303430 /nfs/dbraw/zinc/30/34/30/443303430.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 0 1 339.396 1.236 20 5 EDBDMN COCCN1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303444 /nfs/dbraw/zinc/30/34/44/443303444.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 0 1 339.396 1.236 20 5 EDBDMN CC[C@H](CO)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269520448 443334805 /nfs/dbraw/zinc/33/48/05/443334805.db2.gz PZHNSUUNKNLBPN-SBJJXXPASA-N 0 1 333.388 1.523 20 5 EDBDMN CN1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272497045 443340460 /nfs/dbraw/zinc/34/04/60/443340460.db2.gz WOELTOYSOYIEMT-HIFRSBDPSA-N 0 1 339.417 1.451 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCCN(c3cccnn3)CC2)c1[N+](=O)[O-] ZINC000264685229 443373928 /nfs/dbraw/zinc/37/39/28/443373928.db2.gz QYDCJFRLYONKNR-UHFFFAOYSA-N 0 1 345.363 1.023 20 5 EDBDMN CC(C)C(=O)NC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269646189 443378114 /nfs/dbraw/zinc/37/81/14/443378114.db2.gz DRHCIPLVPNIBSB-MRXNPFEDSA-N 0 1 335.404 1.865 20 5 EDBDMN Cc1c(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278518335 443351277 /nfs/dbraw/zinc/35/12/77/443351277.db2.gz CFYDKLJEHMXBGY-RYUDHWBXSA-N 0 1 336.392 1.822 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCc2nc[nH]n2)c1 ZINC000272564517 443365534 /nfs/dbraw/zinc/36/55/34/443365534.db2.gz VWMHFPKNRWAEOC-UHFFFAOYSA-N 0 1 345.768 1.196 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000444269713 320123603 /nfs/dbraw/zinc/12/36/03/320123603.db2.gz MADKVIGAPWHZRZ-ZDUSSCGKSA-N 0 1 344.371 1.964 20 5 EDBDMN CCc1[nH]nc(C(=O)N(C)C2CCC(NC(C)=O)CC2)c1[N+](=O)[O-] ZINC000444367514 320128103 /nfs/dbraw/zinc/12/81/03/320128103.db2.gz IPDQIWMRSWLYCT-UHFFFAOYSA-N 0 1 337.380 1.400 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000288248308 443819678 /nfs/dbraw/zinc/81/96/78/443819678.db2.gz KXKZCMVXCXLHHB-LLVKDONJSA-N 0 1 333.344 1.385 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000298837569 443881638 /nfs/dbraw/zinc/88/16/38/443881638.db2.gz DDROHAKYMGEAHI-VIFPVBQESA-N 0 1 347.331 1.035 20 5 EDBDMN CC(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000299003927 443926265 /nfs/dbraw/zinc/92/62/65/443926265.db2.gz KSBYOXXVDQHTTE-CYBMUJFWSA-N 0 1 340.449 1.658 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000285376666 443961306 /nfs/dbraw/zinc/96/13/06/443961306.db2.gz WFLGKEJYKNXELX-KGLIPLIRSA-N 0 1 335.360 1.149 20 5 EDBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277866257 444053460 /nfs/dbraw/zinc/05/34/60/444053460.db2.gz ULPYNYFTRIHQPQ-AAEUAGOBSA-N 0 1 339.396 1.636 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277670118 444025050 /nfs/dbraw/zinc/02/50/50/444025050.db2.gz SDVJQVYMQADTCN-OIBJUYFYSA-N 0 1 336.270 1.402 20 5 EDBDMN C[C@@]1(C[C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510789 444162332 /nfs/dbraw/zinc/16/23/32/444162332.db2.gz GSOOXDORBURDPE-HZMBPMFUSA-N 0 1 338.389 1.609 20 5 EDBDMN O=c1nc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289541427 444168274 /nfs/dbraw/zinc/16/82/74/444168274.db2.gz WROLOLUQYKZIIU-NSHDSACASA-N 0 1 333.348 1.265 20 5 EDBDMN O=c1nc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289541427 444168281 /nfs/dbraw/zinc/16/82/81/444168281.db2.gz WROLOLUQYKZIIU-NSHDSACASA-N 0 1 333.348 1.265 20 5 EDBDMN CN1CCN(C)[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289811193 444206167 /nfs/dbraw/zinc/20/61/67/444206167.db2.gz VQSMCNKAEMRMHB-JTQLQIEISA-N 0 1 341.799 1.616 20 5 EDBDMN O=C(NC1CC1)c1ccc(N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302755248 444223016 /nfs/dbraw/zinc/22/30/16/444223016.db2.gz IIERYOSXYRMOJM-UHFFFAOYSA-N 0 1 330.388 1.771 20 5 EDBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000295380153 444181145 /nfs/dbraw/zinc/18/11/45/444181145.db2.gz GWJDPJLJMHVEPD-GFCCVEGCSA-N 0 1 341.795 1.825 20 5 EDBDMN Cc1cc(N2CCN(C(=O)CO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302081894 444203707 /nfs/dbraw/zinc/20/37/07/444203707.db2.gz LRTQBUFKAXLICA-UHFFFAOYSA-N 0 1 330.344 1.092 20 5 EDBDMN Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296393325 444226023 /nfs/dbraw/zinc/22/60/23/444226023.db2.gz SZVLEDGGTFNCSP-AWEZNQCLSA-N 0 1 336.392 1.872 20 5 EDBDMN O=[N+]([O-])c1ccc(Cc2noc(CCCCc3cn[nH]n3)n2)nc1 ZINC000290001165 444229086 /nfs/dbraw/zinc/22/90/86/444229086.db2.gz FVKKELQSDMUOML-UHFFFAOYSA-N 0 1 329.320 1.647 20 5 EDBDMN Cc1n[nH]c(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000331660548 444481628 /nfs/dbraw/zinc/48/16/28/444481628.db2.gz SJFYYVDAQZQCOH-NSHDSACASA-N 0 1 348.363 1.190 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000338132893 444530253 /nfs/dbraw/zinc/53/02/53/444530253.db2.gz HQFUGLZARRHTAC-UHFFFAOYSA-N 0 1 327.304 1.524 20 5 EDBDMN Cc1[nH]nc(C(=O)N(CCC2CCCCC2)CC(N)=O)c1[N+](=O)[O-] ZINC000338142980 444533487 /nfs/dbraw/zinc/53/34/87/444533487.db2.gz LUBRROVDNNNTDJ-UHFFFAOYSA-N 0 1 337.380 1.524 20 5 EDBDMN CC[C@H](C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC ZINC000336875810 444821550 /nfs/dbraw/zinc/82/15/50/444821550.db2.gz MEKNYMGNMMXUMR-GZMMTYOYSA-N 0 1 348.352 1.600 20 5 EDBDMN CN1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344411379 444949790 /nfs/dbraw/zinc/94/97/90/444949790.db2.gz CLNMPEWJCFHWRH-UHFFFAOYSA-N 0 1 328.376 1.749 20 5 EDBDMN CCN1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330765647 445132615 /nfs/dbraw/zinc/13/26/15/445132615.db2.gz QJDBRJVRGXTPIM-UHFFFAOYSA-N 0 1 327.406 1.700 20 5 EDBDMN CO[C@@H]1C[C@H](c2nnc[nH]2)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344735328 445137900 /nfs/dbraw/zinc/13/79/00/445137900.db2.gz MYZBFYUEHAFJGM-ZWNOBZJWSA-N 0 1 346.347 1.113 20 5 EDBDMN COc1cc(CN2C[C@H](OC)C[C@@H]2c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000344656347 445109273 /nfs/dbraw/zinc/10/92/73/445109273.db2.gz MNPOXHJOUFXXLC-TZMCWYRMSA-N 0 1 347.375 1.992 20 5 EDBDMN CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000343355141 445208506 /nfs/dbraw/zinc/20/85/06/445208506.db2.gz RAYRVPJGNRPCJL-GXFFZTMASA-N 0 1 343.347 1.864 20 5 EDBDMN COc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000343430096 445221359 /nfs/dbraw/zinc/22/13/59/445221359.db2.gz JFIZWDODRIMALG-PWSUYJOCSA-N 0 1 337.376 1.825 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343624863 445267966 /nfs/dbraw/zinc/26/79/66/445267966.db2.gz MTVAEBUATOWVFS-FZMZJTMJSA-N 0 1 336.392 1.885 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCc2n[nH]nc2C1 ZINC000351633809 445250733 /nfs/dbraw/zinc/25/07/33/445250733.db2.gz PACUBLPJBRKZIC-SECBINFHSA-N 0 1 346.347 1.107 20 5 EDBDMN O=C(COC[C@H]1CCOC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000354635446 445322509 /nfs/dbraw/zinc/32/25/09/445322509.db2.gz ISSBQXVAYKYQMO-JTQLQIEISA-N 0 1 347.331 1.372 20 5 EDBDMN O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000354570790 445298660 /nfs/dbraw/zinc/29/86/60/445298660.db2.gz HIVAJXORXJMYQA-INIZCTEOSA-N 0 1 329.360 1.434 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCN2CCCC2)c1 ZINC000351896495 445360709 /nfs/dbraw/zinc/36/07/09/445360709.db2.gz FXMLBIFHNXZQBB-UHFFFAOYSA-N 0 1 341.433 1.928 20 5 EDBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nnc[nH]2)cc1SC ZINC000355784891 445477928 /nfs/dbraw/zinc/47/79/28/445477928.db2.gz BWPFLHHSFUZUAZ-ZETCQYMHSA-N 0 1 337.361 1.934 20 5 EDBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CC=CCC1 ZINC000355397979 445458088 /nfs/dbraw/zinc/45/80/88/445458088.db2.gz GHLWXZCPLWMIBY-UHFFFAOYSA-N 0 1 328.372 1.997 20 5 EDBDMN CC(C)N1CCO[C@@H](CN2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000357614286 445570945 /nfs/dbraw/zinc/57/09/45/445570945.db2.gz PIKSUBXOMHOXLS-HNNXBMFYSA-N 0 1 349.435 1.221 20 5 EDBDMN C[C@@H]1CN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)O1 ZINC000357322796 445547139 /nfs/dbraw/zinc/54/71/39/445547139.db2.gz IWPRXVOFUXTXPB-CHWSQXEVSA-N 0 1 345.403 2.449 20 5 EDBDMN Cn1cc(C(=O)NCc2nnc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358576869 445658803 /nfs/dbraw/zinc/65/88/03/445658803.db2.gz RPKSJYUIPZWUKO-UHFFFAOYSA-N 0 1 327.304 1.043 20 5 EDBDMN CCn1ccnc1CN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363172985 445707232 /nfs/dbraw/zinc/70/72/32/445707232.db2.gz WEAYQURRCJZAMM-UHFFFAOYSA-N 0 1 347.423 1.216 20 5 EDBDMN O=C([O-])[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000361507036 445793679 /nfs/dbraw/zinc/79/36/79/445793679.db2.gz OVANISMPVNBKIC-NSHDSACASA-N 0 1 349.343 1.689 20 5 EDBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000353996750 445845143 /nfs/dbraw/zinc/84/51/43/445845143.db2.gz IMBISFBCMPLXFM-CYBMUJFWSA-N 0 1 343.387 1.947 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000350834683 445923571 /nfs/dbraw/zinc/92/35/71/445923571.db2.gz ROMJCULSBHRAFH-VIFPVBQESA-N 0 1 348.315 1.712 20 5 EDBDMN C[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC(=O)N1 ZINC000351072463 445985958 /nfs/dbraw/zinc/98/59/58/445985958.db2.gz HIVVRRAKPSQMNB-WCBMZHEXSA-N 0 1 344.331 1.233 20 5 EDBDMN CCNC(=O)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000354237942 446034055 /nfs/dbraw/zinc/03/40/55/446034055.db2.gz OVOBXYZDFQAKDK-GFCCVEGCSA-N 0 1 333.348 1.362 20 5 EDBDMN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000583560373 326095398 /nfs/dbraw/zinc/09/53/98/326095398.db2.gz IGFIPYWMHOGBPV-ZDUSSCGKSA-N 0 1 333.344 1.528 20 5 EDBDMN C[C@@H](c1ccccc1)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000359244567 446077839 /nfs/dbraw/zinc/07/78/39/446077839.db2.gz QWQGKZAYYOTCPN-ZUZCIYMTSA-N 0 1 343.339 1.688 20 5 EDBDMN C[C@@H](O)CN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC000356899278 446106917 /nfs/dbraw/zinc/10/69/17/446106917.db2.gz DSGJKJJXFVUKPM-VXGBXAGGSA-N 0 1 346.387 1.603 20 5 EDBDMN O=c1[nH]nc2n1CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000362104818 446215603 /nfs/dbraw/zinc/21/56/03/446215603.db2.gz DNLWWRZXXLDUBD-UHFFFAOYSA-N 0 1 341.274 1.509 20 5 EDBDMN CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC000370571672 446336810 /nfs/dbraw/zinc/33/68/10/446336810.db2.gz GXWQXGBQKAVMSJ-DSZLRUIBSA-N 0 1 334.376 1.738 20 5 EDBDMN COc1ccc(C2=NO[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC000374860893 446421962 /nfs/dbraw/zinc/42/19/62/446421962.db2.gz HCOBNKIDAODHOS-SCRDCRAPSA-N 0 1 333.344 1.278 20 5 EDBDMN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000370805129 446452262 /nfs/dbraw/zinc/45/22/62/446452262.db2.gz ZFIDHEMLCICVKS-BZUAXINKSA-N 0 1 337.420 1.681 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000367016943 446464961 /nfs/dbraw/zinc/46/49/61/446464961.db2.gz 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O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(CCCF)CC2)c1 ZINC000599659685 450135360 /nfs/dbraw/zinc/13/53/60/450135360.db2.gz LIUGXBNGYVWMOG-OAHLLOKOSA-N 0 1 341.383 1.312 20 5 EDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCCF)CC1 ZINC000599669522 450140978 /nfs/dbraw/zinc/14/09/78/450140978.db2.gz JYOJHHORTYWHES-CYBMUJFWSA-N 0 1 338.383 1.899 20 5 EDBDMN O=[N+]([O-])c1ncccc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603422247 450294739 /nfs/dbraw/zinc/29/47/39/450294739.db2.gz DQQGBWLTYFTCOF-CQSZACIVSA-N 0 1 335.408 1.198 20 5 EDBDMN COc1c(C(=O)NCCN2CCC(OC)CC2)cccc1[N+](=O)[O-] ZINC000619439165 450473854 /nfs/dbraw/zinc/47/38/54/450473854.db2.gz JUQRNXNLTNPBIX-UHFFFAOYSA-N 0 1 337.376 1.444 20 5 EDBDMN Cc1nc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)ncc1[N+](=O)[O-] ZINC000450516941 486730691 /nfs/dbraw/zinc/73/06/91/486730691.db2.gz CWFVSBGEPPVCGX-SWLSCSKDSA-N 0 1 345.407 1.922 20 5 EDBDMN COc1cc(CN2CCN(CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000187729060 533810751 /nfs/dbraw/zinc/81/07/51/533810751.db2.gz 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593338003 /nfs/dbraw/zinc/33/80/03/593338003.db2.gz VWBCXSVVVZUZKI-GFCCVEGCSA-N 0 1 331.376 1.621 20 5 EDBDMN O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839620702 593352093 /nfs/dbraw/zinc/35/20/93/593352093.db2.gz WFTAHPHYOZHXDY-IUODEOHRSA-N 0 1 342.355 1.118 20 5 EDBDMN O=C(N[C@@H](CO)c1cccc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724306 593374367 /nfs/dbraw/zinc/37/43/67/593374367.db2.gz MKGZUZODMAVTSY-OUAUKWLOSA-N 0 1 329.150 1.264 20 5 EDBDMN COC(=O)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000761200075 593412902 /nfs/dbraw/zinc/41/29/02/593412902.db2.gz GHRKROQRYFOTCV-UHFFFAOYSA-N 0 1 339.348 1.473 20 5 EDBDMN Cc1nc([C@H](C)OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000840206305 593424450 /nfs/dbraw/zinc/42/44/50/593424450.db2.gz KVKQGUZKOMQLIX-QMMMGPOBSA-N 0 1 330.304 1.675 20 5 EDBDMN Cc1nnc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000769909636 593446477 /nfs/dbraw/zinc/44/64/77/593446477.db2.gz WJMNSTDHVTWWNV-ZCFIWIBFSA-N 0 1 330.297 1.465 20 5 EDBDMN O=C(N[C@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000816567479 593531866 /nfs/dbraw/zinc/53/18/66/593531866.db2.gz BUTQKGXJRSDDBU-NSHDSACASA-N 0 1 341.795 1.825 20 5 EDBDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000817151766 593577224 /nfs/dbraw/zinc/57/72/24/593577224.db2.gz ZRHPJRMQUFBPDS-LLVKDONJSA-N 0 1 347.824 1.963 20 5 EDBDMN CO[C@H](CC(C)C)CS(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000817356174 593594797 /nfs/dbraw/zinc/59/47/97/593594797.db2.gz GRSJKIIEKPEFLJ-SNVBAGLBSA-N 0 1 332.382 1.297 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(F)cnc2Cl)c1 ZINC000819339456 593751175 /nfs/dbraw/zinc/75/11/75/593751175.db2.gz PKCBIHVGBBNSDZ-NSHDSACASA-N 0 1 329.719 1.130 20 5 EDBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820696966 593865267 /nfs/dbraw/zinc/86/52/67/593865267.db2.gz DGRFFRTUYZQBDR-PHIMTYICSA-N 0 1 346.395 1.845 20 5 EDBDMN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820696966 593865270 /nfs/dbraw/zinc/86/52/70/593865270.db2.gz DGRFFRTUYZQBDR-PHIMTYICSA-N 0 1 346.395 1.845 20 5 EDBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820696966 593865273 /nfs/dbraw/zinc/86/52/73/593865273.db2.gz DGRFFRTUYZQBDR-PHIMTYICSA-N 0 1 346.395 1.845 20 5 EDBDMN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820696966 593865276 /nfs/dbraw/zinc/86/52/76/593865276.db2.gz DGRFFRTUYZQBDR-PHIMTYICSA-N 0 1 346.395 1.845 20 5 EDBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820696966 593865279 /nfs/dbraw/zinc/86/52/79/593865279.db2.gz DGRFFRTUYZQBDR-PHIMTYICSA-N 0 1 346.395 1.845 20 5 EDBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000821075689 593959417 /nfs/dbraw/zinc/95/94/17/593959417.db2.gz YTZUIVOCONBQGG-UHFFFAOYSA-N 0 1 349.255 1.205 20 5 EDBDMN C[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824407585 594004450 /nfs/dbraw/zinc/00/44/50/594004450.db2.gz 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C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363180065 445710224 /nfs/dbraw/zinc/71/02/24/445710224.db2.gz WVDOOZPMGSIHLD-GOSISDBHSA-N 0 1 332.448 1.849 20 5 EDBDMN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000363329248 445768102 /nfs/dbraw/zinc/76/81/02/445768102.db2.gz CNVUAVQBDOMFCD-COLVAYQJSA-N 0 1 335.360 1.064 20 5 EDBDMN CCCc1[nH]nc(C(=O)Nc2ccn(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000356447298 445794217 /nfs/dbraw/zinc/79/42/17/445794217.db2.gz ONOIVMGZQFVKFR-UHFFFAOYSA-N 0 1 341.331 2.103 20 5 EDBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000372924082 445923461 /nfs/dbraw/zinc/92/34/61/445923461.db2.gz ACEYVHXBDXVMMW-ICHOQEBTSA-N 0 1 345.399 1.666 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2Cn2nc(C)nc2C)c1[N+](=O)[O-] ZINC000373058323 445998587 /nfs/dbraw/zinc/99/85/87/445998587.db2.gz PAKOTFYLBMDMIE-NSHDSACASA-N 0 1 347.379 1.393 20 5 EDBDMN O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000373124582 446046341 /nfs/dbraw/zinc/04/63/41/446046341.db2.gz LQADVKWFFTXPLE-LSDHHAIUSA-N 0 1 349.387 1.674 20 5 EDBDMN CCn1ccnc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583199398 326025112 /nfs/dbraw/zinc/02/51/12/326025112.db2.gz NMJUJYFIHNJPPG-TZMCWYRMSA-N 0 1 334.376 1.902 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000369319539 446070054 /nfs/dbraw/zinc/07/00/54/446070054.db2.gz OHMDJUAUJNHEAQ-JTQLQIEISA-N 0 1 332.364 1.634 20 5 EDBDMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000362022612 446159742 /nfs/dbraw/zinc/15/97/42/446159742.db2.gz HACGGJDPKNIAJJ-TZMCWYRMSA-N 0 1 337.376 1.625 20 5 EDBDMN CN(C)c1ncc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356963477 446162492 /nfs/dbraw/zinc/16/24/92/446162492.db2.gz WNRCPXPGIGRRJK-UHFFFAOYSA-N 0 1 331.332 1.429 20 5 EDBDMN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000359446796 446227300 /nfs/dbraw/zinc/22/73/00/446227300.db2.gz GQCPIYVGEBZQBQ-ZCFIWIBFSA-N 0 1 327.247 1.805 20 5 EDBDMN Cc1nc([C@H]2CCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000366592531 446273740 /nfs/dbraw/zinc/27/37/40/446273740.db2.gz BZMJCWMZNFARET-CYBMUJFWSA-N 0 1 344.375 1.847 20 5 EDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370435665 446278671 /nfs/dbraw/zinc/27/86/71/446278671.db2.gz BRPXQLPWCNQITQ-RISCZKNCSA-N 0 1 344.375 1.683 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000373672215 446296844 /nfs/dbraw/zinc/29/68/44/446296844.db2.gz HJKYLGVBBSCQKV-INIZCTEOSA-N 0 1 334.420 1.356 20 5 EDBDMN CN1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374881233 446433851 /nfs/dbraw/zinc/43/38/51/446433851.db2.gz NLFBDMNGTGMFAY-ZFWWWQNUSA-N 0 1 339.417 1.451 20 5 EDBDMN N[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423829679 446719878 /nfs/dbraw/zinc/71/98/78/446719878.db2.gz SHMKYTXBPAAHPA-OAHLLOKOSA-N 0 1 329.360 1.655 20 5 EDBDMN CN(C)C(=O)[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 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GNKFVSAAGFKTAL-UHFFFAOYSA-N 0 1 327.348 2.566 20 5 EDBDMN C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451054683 447663611 /nfs/dbraw/zinc/66/36/11/447663611.db2.gz BMHHLYBNARCJBR-JTQLQIEISA-N 0 1 343.343 1.288 20 5 EDBDMN CC[C@]1(O)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000451070467 447667279 /nfs/dbraw/zinc/66/72/79/447667279.db2.gz IZSVVAICZWRYGS-INIZCTEOSA-N 0 1 330.344 1.972 20 5 EDBDMN CON1CCC(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000459577611 447710740 /nfs/dbraw/zinc/71/07/40/447710740.db2.gz GWTJNDOBWIFGBB-UHFFFAOYSA-N 0 1 348.403 1.442 20 5 EDBDMN COc1ccc(OCCN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c([N+](=O)[O-])c1 ZINC000451861198 447765360 /nfs/dbraw/zinc/76/53/60/447765360.db2.gz NHFLRXNOQWPBAI-OLZOCXBDSA-N 0 1 349.387 1.677 20 5 EDBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000471768640 447813720 /nfs/dbraw/zinc/81/37/20/447813720.db2.gz JMHCEEKYIWKTEK-NWDGAFQWSA-N 0 1 337.380 1.488 20 5 EDBDMN CC(C)(N)c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000430580409 447781497 /nfs/dbraw/zinc/78/14/97/447781497.db2.gz FABHPNCWWWTSON-UHFFFAOYSA-N 0 1 346.391 1.494 20 5 EDBDMN CCOC(=O)c1ccnc(N2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487111659 447827429 /nfs/dbraw/zinc/82/74/29/447827429.db2.gz JTZXSMQZXUTEDF-CYBMUJFWSA-N 0 1 336.392 1.943 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(N3CN=NC3=O)CC2)c1[N+](=O)[O-] ZINC000552015469 447925997 /nfs/dbraw/zinc/92/59/97/447925997.db2.gz VEWGQQXCQMJULT-UHFFFAOYSA-N 0 1 349.351 1.216 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000525307112 447994245 /nfs/dbraw/zinc/99/42/45/447994245.db2.gz VGDNQCQBSKXNIY-NSHDSACASA-N 0 1 327.406 1.523 20 5 EDBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496890942 448008092 /nfs/dbraw/zinc/00/80/92/448008092.db2.gz MNNAKSIZCMOSLL-YNEHKIRRSA-N 0 1 341.408 1.805 20 5 EDBDMN O=C(NCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000497254515 448008816 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CC(C)C[N@H+]1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820092462 593790536 /nfs/dbraw/zinc/79/05/36/593790536.db2.gz MFMTYYBXIAFVTF-NSHDSACASA-N 0 1 346.395 1.560 20 5 EDBDMN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840457704 594007039 /nfs/dbraw/zinc/00/70/39/594007039.db2.gz SZWZIAFUHZSMHK-PRHODGIISA-N 0 1 327.287 1.405 20 5 EDBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1[nH]nc2c1CNCC2 ZINC000831217941 594583801 /nfs/dbraw/zinc/58/38/01/594583801.db2.gz OSCSQBUQSQTPGW-UHFFFAOYSA-N 0 1 335.751 1.547 20 5 EDBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000827374214 594666153 /nfs/dbraw/zinc/66/61/53/594666153.db2.gz DRQZEGLDWYCFQS-JTQLQIEISA-N 0 1 339.323 1.355 20 5 EDBDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000831998288 594717959 /nfs/dbraw/zinc/71/79/59/594717959.db2.gz TULZRZPOXIJMES-ZIAGYGMSSA-N 0 1 337.380 1.788 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c1F ZINC000832125608 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/nfs/dbraw/zinc/33/98/59/593339859.db2.gz LORKVKUKIUAJTB-XNJGSVPQSA-N 0 1 345.355 1.375 20 5 EDBDMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686692 593363711 /nfs/dbraw/zinc/36/37/11/593363711.db2.gz OVMJLAAHHRZCQH-MRVWCRGKSA-N 0 1 347.371 1.598 20 5 EDBDMN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839675488 593368423 /nfs/dbraw/zinc/36/84/23/593368423.db2.gz ZFIDHEMLCICVKS-OWCLPIDISA-N 0 1 337.420 1.681 20 5 EDBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000839714031 593372823 /nfs/dbraw/zinc/37/28/23/593372823.db2.gz AHDOSHBUXWIEMT-FVCCEPFGSA-N 0 1 341.408 1.803 20 5 EDBDMN COc1cc(OC)c(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(OC)c1 ZINC000839783642 593383294 /nfs/dbraw/zinc/38/32/94/593383294.db2.gz STYZABLWGYYGGI-UFGOTCBOSA-N 0 1 338.360 1.425 20 5 EDBDMN CNC(=O)[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000817370255 593596608 /nfs/dbraw/zinc/59/66/08/593596608.db2.gz IVLJFKOLAIDLLJ-CYBMUJFWSA-N 0 1 329.360 1.484 20 5 EDBDMN Cc1cc(C[C@@H](C)Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[nH]n1 ZINC000822200157 594008659 /nfs/dbraw/zinc/00/86/59/594008659.db2.gz WUMHEJUIXLOQOA-SSDOTTSWSA-N 0 1 329.324 1.245 20 5 EDBDMN CCC[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1CCOC ZINC000827589120 594239441 /nfs/dbraw/zinc/23/94/41/594239441.db2.gz ZAZJBLMVWSPSNW-AWEZNQCLSA-N 0 1 329.441 1.781 20 5 EDBDMN C[NH+](C)CC1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825859180 594264441 /nfs/dbraw/zinc/26/44/41/594264441.db2.gz DKBGTZOTUIXFNX-UHFFFAOYSA-N 0 1 346.395 1.702 20 5 EDBDMN C[NH+](C)CC1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825859180 594264442 /nfs/dbraw/zinc/26/44/42/594264442.db2.gz DKBGTZOTUIXFNX-UHFFFAOYSA-N 0 1 346.395 1.702 20 5 EDBDMN C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC000828465950 594428245 /nfs/dbraw/zinc/42/82/45/594428245.db2.gz ZEQMRJCAZHRWBP-ZYHUDNBSSA-N 0 1 331.332 1.463 20 5 EDBDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000832761644 594774778 /nfs/dbraw/zinc/77/47/78/594774778.db2.gz NUPWUBPBIXYZHO-NSHDSACASA-N 0 1 345.396 1.837 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832958574 594787399 /nfs/dbraw/zinc/78/73/99/594787399.db2.gz MCDBQBWFZIFEQK-AAEUAGOBSA-N 0 1 335.360 1.884 20 5 EDBDMN COc1ccccc1NC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840673204 594808364 /nfs/dbraw/zinc/80/83/64/594808364.db2.gz SWBYQJHKVNPLBI-MPKXVKKWSA-N 0 1 336.344 1.867 20 5 EDBDMN CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833481820 594856632 /nfs/dbraw/zinc/85/66/32/594856632.db2.gz OAFOMUKIVWCWBO-AAEUAGOBSA-N 0 1 337.376 1.861 20 5 EDBDMN Cn1cc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949288 594972020 /nfs/dbraw/zinc/97/20/20/594972020.db2.gz PYWJJPWPYVHLRU-ZDUSSCGKSA-N 0 1 345.359 1.837 20 5 EDBDMN CC(=O)c1ccc(N2CCN(Cc3nnc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000845725351 595051497 /nfs/dbraw/zinc/05/14/97/595051497.db2.gz SNUDDSZQACXALF-UHFFFAOYSA-N 0 1 330.348 1.238 20 5 EDBDMN CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842315864 595075440 /nfs/dbraw/zinc/07/54/40/595075440.db2.gz YBIRQHUHELBDQN-QJPTWQEYSA-N 0 1 328.365 1.001 20 5 EDBDMN CN1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000834310638 595090011 /nfs/dbraw/zinc/09/00/11/595090011.db2.gz RBGXEWSZIZHFBS-MFKMUULPSA-N 0 1 325.315 1.849 20 5 EDBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843479400 595124307 /nfs/dbraw/zinc/12/43/07/595124307.db2.gz SLSGCWAENXFTEX-LBPRGKRZSA-N 0 1 341.751 1.225 20 5 EDBDMN Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842764060 595191879 /nfs/dbraw/zinc/19/18/79/595191879.db2.gz JDEXOTPHCYSUGC-VHSXEESVSA-N 0 1 331.369 1.413 20 5 EDBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCOCC3)CC2)c2nonc21 ZINC000848794661 595449241 /nfs/dbraw/zinc/44/92/41/595449241.db2.gz STWPDFFLXOZFHD-GFCCVEGCSA-N 0 1 347.375 1.822 20 5 EDBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3NC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000857973778 595672734 /nfs/dbraw/zinc/67/27/34/595672734.db2.gz NPAVJJTVXVWGGT-SECBINFHSA-N 0 1 343.343 1.863 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017862 595685448 /nfs/dbraw/zinc/68/54/48/595685448.db2.gz AUVAGWNTCPXCLC-RRFJBIMHSA-N 0 1 331.372 1.994 20 5 EDBDMN COc1cc(S(=O)(=O)N2CCNC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000858616039 595845287 /nfs/dbraw/zinc/84/52/87/595845287.db2.gz MHHXHVFVEOHVBJ-ZDUSSCGKSA-N 0 1 343.405 1.222 20 5 EDBDMN CC1(C)OC[C@@H](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851717453 595895706 /nfs/dbraw/zinc/89/57/06/595895706.db2.gz SHLUYNPGRSVRPV-CQSZACIVSA-N 0 1 336.392 1.653 20 5 EDBDMN NC(=O)[C@@](O)(CN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000851869752 595956171 /nfs/dbraw/zinc/95/61/71/595956171.db2.gz QAAOSPBUGNWFDM-GOSISDBHSA-N 0 1 341.367 1.326 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861350573 595956864 /nfs/dbraw/zinc/95/68/64/595956864.db2.gz DRIHIJGYDRZSPB-BLLLJJGKSA-N 0 1 338.360 1.869 20 5 EDBDMN CN(CC1CN(C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199663 596084097 /nfs/dbraw/zinc/08/40/97/596084097.db2.gz OLKLFGHRBZGMDF-UHFFFAOYSA-N 0 1 326.784 1.951 20 5 EDBDMN COC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1ccccc1F ZINC000870650816 596310083 /nfs/dbraw/zinc/31/00/83/596310083.db2.gz LGXPRPLFFCCLHQ-PIEOMLNGSA-N 0 1 325.292 1.679 20 5 EDBDMN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123309150 596346199 /nfs/dbraw/zinc/34/61/99/596346199.db2.gz CIVRVAGRQZGLKL-NXEZZACHSA-N 0 1 333.797 1.796 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869816624 596648609 /nfs/dbraw/zinc/64/86/09/596648609.db2.gz YIXHRPBMGIZLFL-UHFFFAOYSA-N 0 1 326.356 1.881 20 5 EDBDMN Cc1nn(CN2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872753881 597059084 /nfs/dbraw/zinc/05/90/84/597059084.db2.gz QTMOFXVLJVGCOF-LLVKDONJSA-N 0 1 335.286 1.200 20 5 EDBDMN CN1C[C@]2(C)CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000918360202 697157762 /nfs/dbraw/zinc/15/77/62/697157762.db2.gz QDTGBBGVWCJNHM-BETUJISGSA-N 0 1 345.446 1.619 20 5 EDBDMN Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000943687804 698711107 /nfs/dbraw/zinc/71/11/07/698711107.db2.gz FZJBEXRNUIWXKL-AAVRWANBSA-N 0 1 335.360 1.410 20 5 EDBDMN Cc1ccc(C)c(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000941012848 701054033 /nfs/dbraw/zinc/05/40/33/701054033.db2.gz PNCLSSOWSGDFNS-HZPDHXFCSA-N 0 1 345.399 1.643 20 5 EDBDMN O=C(/C=C/C1CC1)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385387 701862122 /nfs/dbraw/zinc/86/21/22/701862122.db2.gz ROMUEPKYIVZLSH-LRPXVYOUSA-N 0 1 347.415 1.459 20 5 EDBDMN CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944933865 704791110 /nfs/dbraw/zinc/79/11/10/704791110.db2.gz MLESCGPKVULMCQ-CHWSQXEVSA-N 0 1 337.420 1.539 20 5 EDBDMN Cc1ccnc2nc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)nn21 ZINC000073906640 707115150 /nfs/dbraw/zinc/11/51/50/707115150.db2.gz FJSYJONSPSJDDI-UHFFFAOYSA-N 0 1 334.242 1.871 20 5 EDBDMN CCc1ccnc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000946705524 707170441 /nfs/dbraw/zinc/17/04/41/707170441.db2.gz FBUKBVDHEMLPFW-UKRRQHHQSA-N 0 1 346.387 1.030 20 5 EDBDMN O=C(NCC1CN(C(=O)c2ccc3cc[nH]c3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001803195 708316480 /nfs/dbraw/zinc/31/64/80/708316480.db2.gz QPCGTAVZAZGBHV-UKRRQHHQSA-N 0 1 342.355 1.021 20 5 EDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CC2)CC1 ZINC000053237262 214171695 /nfs/dbraw/zinc/17/16/95/214171695.db2.gz BOVTWZUXKUXULD-CYBMUJFWSA-N 0 1 332.404 1.949 20 5 EDBDMN CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000174604932 529380149 /nfs/dbraw/zinc/38/01/49/529380149.db2.gz JJIBVHOHMFRZIR-UKRRQHHQSA-N 0 1 335.404 1.820 20 5 EDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000174198238 231147611 /nfs/dbraw/zinc/14/76/11/231147611.db2.gz JFLKADFOXRNACO-CQSZACIVSA-N 0 1 348.403 1.187 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000066105835 215012454 /nfs/dbraw/zinc/01/24/54/215012454.db2.gz BHBOKZDPMUGUFJ-LBPRGKRZSA-N 0 1 343.380 1.593 20 5 EDBDMN C[C@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880656 234018477 /nfs/dbraw/zinc/01/84/77/234018477.db2.gz VJTCWJVCWMLYMZ-IINYFYTJSA-N 0 1 345.396 1.920 20 5 EDBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)[C@H]1c1ccccc1 ZINC000356731287 283055351 /nfs/dbraw/zinc/05/53/51/283055351.db2.gz OUTCBJLMSOTKHM-IUODEOHRSA-N 0 1 329.360 1.504 20 5 EDBDMN O=C(NCCCOC[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077126518 138251493 /nfs/dbraw/zinc/25/14/93/138251493.db2.gz JLUNVFSCEUZMII-NSHDSACASA-N 0 1 348.359 1.644 20 5 EDBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN(C2CC2)C1 ZINC000563580885 306339639 /nfs/dbraw/zinc/33/96/39/306339639.db2.gz CRAXYSCCRTVFEJ-LLVKDONJSA-N 0 1 339.417 1.895 20 5 EDBDMN Cn1ccnc1-c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000119683226 138314568 /nfs/dbraw/zinc/31/45/68/138314568.db2.gz CNEIOCWZMMCWEX-UHFFFAOYSA-N 0 1 326.316 1.900 20 5 EDBDMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000563899616 306352079 /nfs/dbraw/zinc/35/20/79/306352079.db2.gz DIHFGYKHVNQEDL-WCQYABFASA-N 0 1 338.360 1.662 20 5 EDBDMN CC1CCN(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396609 219856298 /nfs/dbraw/zinc/85/62/98/219856298.db2.gz CTHSPWBWKBPPID-UHFFFAOYSA-N 0 1 341.433 1.746 20 5 EDBDMN O=[N+]([O-])c1cccc(CNCCS(=O)(=O)NCc2ccccc2)c1 ZINC000131419192 223231188 /nfs/dbraw/zinc/23/11/88/223231188.db2.gz QVVMTVDQPATCDE-UHFFFAOYSA-N 0 1 349.412 1.804 20 5 EDBDMN COCC(COC)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414474563 304117580 /nfs/dbraw/zinc/11/75/80/304117580.db2.gz SMOQJMZSJQWVNB-ALCCZGGFSA-N 0 1 349.431 1.887 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080874639 217336923 /nfs/dbraw/zinc/33/69/23/217336923.db2.gz YFAGVVSMHYQPQN-UHFFFAOYSA-N 0 1 346.322 1.822 20 5 EDBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1 ZINC000081034531 217352979 /nfs/dbraw/zinc/35/29/79/217352979.db2.gz XJFMVHAGMDQYTB-UHFFFAOYSA-N 0 1 349.387 1.297 20 5 EDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000237752185 139059670 /nfs/dbraw/zinc/05/96/70/139059670.db2.gz XEONAFKWQBWHGQ-VIFPVBQESA-N 0 1 333.797 1.526 20 5 EDBDMN COC(=O)c1cc(NC(=O)N2CCN[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415607121 304238079 /nfs/dbraw/zinc/23/80/79/304238079.db2.gz ZSBXMLJZLOUSBL-VIFPVBQESA-N 0 1 336.348 1.515 20 5 EDBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1O ZINC000426201930 252323967 /nfs/dbraw/zinc/32/39/67/252323967.db2.gz QZROUIZNTCMSQA-HZPDHXFCSA-N 0 1 333.388 1.719 20 5 EDBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCNCC1 ZINC000415701789 304259336 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EDBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000270224379 140062600 /nfs/dbraw/zinc/06/26/00/140062600.db2.gz NDFNKYOPNPZHHG-BETUJISGSA-N 0 1 348.403 1.266 20 5 EDBDMN CCOC(=O)CN(C)C(=O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271680299 140332723 /nfs/dbraw/zinc/33/27/23/140332723.db2.gz BLFDTIYHVPLLNY-CQSZACIVSA-N 0 1 337.376 1.657 20 5 EDBDMN C[C@@H](O)CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332303657 141159083 /nfs/dbraw/zinc/15/90/83/141159083.db2.gz ZZIIXSUUEPBEPH-VXGBXAGGSA-N 0 1 333.392 1.358 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)CCN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416389709 304314295 /nfs/dbraw/zinc/31/42/95/304314295.db2.gz PSNKRWLMLZUTHH-UHFFFAOYSA-N 0 1 341.433 1.928 20 5 EDBDMN COc1ccc(C(=O)N2C[C@H](OC)C[C@@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000345468956 143094682 /nfs/dbraw/zinc/09/46/82/143094682.db2.gz IVXDGUUMGCGXDQ-ZYHUDNBSSA-N 0 1 347.331 1.324 20 5 EDBDMN Cc1noc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000346269925 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CC(C)(C)[NH+]1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819913658 593776781 /nfs/dbraw/zinc/77/67/81/593776781.db2.gz AGBGYHCYZBWCMV-UHFFFAOYSA-N 0 1 346.395 1.845 20 5 EDBDMN CC(C)(C)[NH+]1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819913658 593776782 /nfs/dbraw/zinc/77/67/82/593776782.db2.gz AGBGYHCYZBWCMV-UHFFFAOYSA-N 0 1 346.395 1.845 20 5 EDBDMN CC(C)[NH+]1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820128648 593793441 /nfs/dbraw/zinc/79/34/41/593793441.db2.gz SGLXWLJXEIGSFW-UHFFFAOYSA-N 0 1 332.368 1.455 20 5 EDBDMN CC(C)[NH+]1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820128648 593793442 /nfs/dbraw/zinc/79/34/42/593793442.db2.gz SGLXWLJXEIGSFW-UHFFFAOYSA-N 0 1 332.368 1.455 20 5 EDBDMN C[N@@H+]1CCC[C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000821625820 593886832 /nfs/dbraw/zinc/88/68/32/593886832.db2.gz WIZOXIONODADRH-JQWIXIFHSA-N 0 1 344.379 1.090 20 5 EDBDMN C[N@H+]1CCC[C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC[C@@H]21 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ZINC000844743205 595387816 /nfs/dbraw/zinc/38/78/16/595387816.db2.gz UMGHQQUAEREHMQ-INIZCTEOSA-N 0 1 329.404 1.916 20 5 EDBDMN COC[C@H]1CCCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479767 595390296 /nfs/dbraw/zinc/39/02/96/595390296.db2.gz BFGBUJLBXUWPSM-CVEARBPZSA-N 0 1 333.388 1.979 20 5 EDBDMN COC(=O)CCN1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000849319509 595505282 /nfs/dbraw/zinc/50/52/82/595505282.db2.gz AJAWZKVIHYMMHI-SMDDNHRTSA-N 0 1 335.360 1.409 20 5 EDBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ncnn21 ZINC000849423780 595524644 /nfs/dbraw/zinc/52/46/44/595524644.db2.gz NDZXMCNWDQRRMJ-APPZFPTMSA-N 0 1 341.324 1.310 20 5 EDBDMN COc1c(C(=O)OC[C@]2(C)C[C@H](OC)CN2C)cccc1[N+](=O)[O-] ZINC000861350582 595956951 /nfs/dbraw/zinc/95/69/51/595956951.db2.gz DSTXPUNUVINEIL-ZBEGNZNMSA-N 0 1 338.360 1.869 20 5 EDBDMN COc1cccc(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000861354223 595960073 /nfs/dbraw/zinc/96/00/73/595960073.db2.gz XZXUUFNCTDSZBI-MEDUHNTESA-N 0 1 338.360 1.869 20 5 EDBDMN Cc1ccc(S(=O)(=O)NCCN2CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000856739000 596066640 /nfs/dbraw/zinc/06/66/40/596066640.db2.gz MCRVANALWCZASB-GFCCVEGCSA-N 0 1 341.433 1.974 20 5 EDBDMN COC(=O)c1cnc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000862728580 596398116 /nfs/dbraw/zinc/39/81/16/596398116.db2.gz ZFBVXHIMBNXSOQ-NXEZZACHSA-N 0 1 339.373 1.301 20 5 EDBDMN Cc1cc(Cl)c(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863833479 596700858 /nfs/dbraw/zinc/70/08/58/596700858.db2.gz PTPSEGCCWGMYQL-JTQLQIEISA-N 0 1 327.768 1.353 20 5 EDBDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000119846492 596757169 /nfs/dbraw/zinc/75/71/69/596757169.db2.gz UWPHVGCFRRFHNQ-VHSXEESVSA-N 0 1 333.435 1.760 20 5 EDBDMN C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000120020685 596875625 /nfs/dbraw/zinc/87/56/25/596875625.db2.gz JKEBDMPKDXHSNY-PWSUYJOCSA-N 0 1 345.446 1.761 20 5 EDBDMN Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874363115 597034364 /nfs/dbraw/zinc/03/43/64/597034364.db2.gz LRZKPNZMTGHLDF-CABCVRRESA-N 0 1 346.387 1.537 20 5 EDBDMN CCOc1cc(CN2CCC(C(=O)NOC)CC2)ccc1[N+](=O)[O-] ZINC000879923117 597766382 /nfs/dbraw/zinc/76/63/82/597766382.db2.gz BLIALRYHEVQIJH-UHFFFAOYSA-N 0 1 337.376 1.883 20 5 EDBDMN C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137848 597853625 /nfs/dbraw/zinc/85/36/25/597853625.db2.gz LNPRTRQDYWRDGR-HOTGVXAUSA-N 0 1 344.415 1.652 20 5 EDBDMN CCN1CC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000882960788 598117393 /nfs/dbraw/zinc/11/73/93/598117393.db2.gz WGGWCJWIZKUPLY-LLVKDONJSA-N 0 1 342.421 1.351 20 5 EDBDMN O=C(c1ccoc1Cl)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940875479 700971972 /nfs/dbraw/zinc/97/19/72/700971972.db2.gz XEXYILQFKNKRLQ-GHMZBOCLSA-N 0 1 341.751 1.273 20 5 EDBDMN O=C(Cn1ccnc1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004256224 704083284 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EDBDMN COC(=O)c1cc(N2CCN([C@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000301821367 444192362 /nfs/dbraw/zinc/19/23/62/444192362.db2.gz JYZUZVAWUMWCAD-GFCCVEGCSA-N 0 1 337.376 1.193 20 5 EDBDMN COCCNC(=O)Cn1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000302030212 444201369 /nfs/dbraw/zinc/20/13/69/444201369.db2.gz RTOZNJLZLXIKPI-UHFFFAOYSA-N 0 1 325.350 1.359 20 5 EDBDMN Cc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040370 444201942 /nfs/dbraw/zinc/20/19/42/444201942.db2.gz WEFNGADLJYNRIP-JKSUJKDBSA-N 0 1 328.372 1.971 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000302069671 444203155 /nfs/dbraw/zinc/20/31/55/444203155.db2.gz DUGSMAITRHTIFW-LBPRGKRZSA-N 0 1 336.392 1.429 20 5 EDBDMN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CN1C1CC1 ZINC000290732568 444316536 /nfs/dbraw/zinc/31/65/36/444316536.db2.gz GBZKWTYCWJNZAR-VHSXEESVSA-N 0 1 340.405 1.279 20 5 EDBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000324502901 444355270 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447643752 /nfs/dbraw/zinc/64/37/52/447643752.db2.gz RIKBHYPNNSRIEA-LLVKDONJSA-N 0 1 332.360 1.500 20 5 EDBDMN CON1CCC(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000459580020 447712236 /nfs/dbraw/zinc/71/22/36/447712236.db2.gz LFYMCMODNPWUNX-UHFFFAOYSA-N 0 1 336.392 1.799 20 5 EDBDMN C[N@H+]1CCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000530768678 447952750 /nfs/dbraw/zinc/95/27/50/447952750.db2.gz HIIJRGRLEMJIRM-ZDUSSCGKSA-N 0 1 335.408 1.648 20 5 EDBDMN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000576761939 448134243 /nfs/dbraw/zinc/13/42/43/448134243.db2.gz FMGAHNVWUJIRJX-LBPRGKRZSA-N 0 1 331.332 1.722 20 5 EDBDMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000576761939 448134247 /nfs/dbraw/zinc/13/42/47/448134247.db2.gz FMGAHNVWUJIRJX-LBPRGKRZSA-N 0 1 331.332 1.722 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000532239938 448219557 /nfs/dbraw/zinc/21/95/57/448219557.db2.gz HYYXCVCDKPIXHN-JTQLQIEISA-N 0 1 336.270 1.402 20 5 EDBDMN Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000591328805 448324155 /nfs/dbraw/zinc/32/41/55/448324155.db2.gz LLOQWRYTYYTHBY-JSGCOSHPSA-N 0 1 339.417 1.536 20 5 EDBDMN Cc1cnc(N2CCC(n3c[nH+]c(C(=O)[O-])c3N)CC2)c([N+](=O)[O-])c1 ZINC000582608805 448289476 /nfs/dbraw/zinc/28/94/76/448289476.db2.gz CUALGXXRWPJATG-UHFFFAOYSA-N 0 1 346.347 1.617 20 5 EDBDMN C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000566368224 448456509 /nfs/dbraw/zinc/45/65/09/448456509.db2.gz VIHHKYPNKUOEII-ZLDLUXBVSA-N 0 1 338.360 1.520 20 5 EDBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579126202 448722479 /nfs/dbraw/zinc/72/24/79/448722479.db2.gz VSFVZKIXAHXHOJ-MRVPVSSYSA-N 0 1 336.735 1.964 20 5 EDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOC[C@H]2C2CCC2)c1 ZINC000567499424 448704512 /nfs/dbraw/zinc/70/45/12/448704512.db2.gz ZOWFNJCNUBCCEZ-RDJZCZTQSA-N 0 1 336.388 1.835 20 5 EDBDMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C(=O)[O-] ZINC000592424098 448829847 /nfs/dbraw/zinc/82/98/47/448829847.db2.gz SWZVXDLLRXFCBD-ZYHUDNBSSA-N 0 1 336.344 1.909 20 5 EDBDMN O=C(NCC[C@@H]1CSc2ccccc2O1)c1n[nH]cc1[N+](=O)[O-] ZINC000592825838 449006630 /nfs/dbraw/zinc/00/66/30/449006630.db2.gz HRGZLUIWPQEPAK-SECBINFHSA-N 0 1 334.357 1.991 20 5 EDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595608385 449076595 /nfs/dbraw/zinc/07/65/95/449076595.db2.gz OSLPOOWMFRFMGS-QWHCGFSZSA-N 0 1 344.375 1.535 20 5 EDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Cn2ccnn2)C1 ZINC000595609283 449078765 /nfs/dbraw/zinc/07/87/65/449078765.db2.gz XQMAKJPKQIJKAX-STQMWFEESA-N 0 1 344.375 1.535 20 5 EDBDMN CN1C[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000589930209 449083790 /nfs/dbraw/zinc/08/37/90/449083790.db2.gz UNWPBXOBDYRRAV-OCCSQVGLSA-N 0 1 325.390 1.061 20 5 EDBDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593604573 449103796 /nfs/dbraw/zinc/10/37/96/449103796.db2.gz BEOZWKPKQGERIU-LBPRGKRZSA-N 0 1 328.394 1.093 20 5 EDBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593746172 449176180 /nfs/dbraw/zinc/17/61/80/449176180.db2.gz FZEWPPGZEWBCFK-CQSZACIVSA-N 0 1 342.373 1.308 20 5 EDBDMN CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000593745348 449176690 /nfs/dbraw/zinc/17/66/90/449176690.db2.gz OVFZLCXXAYKAHM-UHFFFAOYSA-N 0 1 330.362 1.164 20 5 EDBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000601879441 449202420 /nfs/dbraw/zinc/20/24/20/449202420.db2.gz IHVFRPQLTXWXQV-AWEZNQCLSA-N 0 1 343.387 1.641 20 5 EDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c3ncnn23)cc1OC ZINC000590553158 449188014 /nfs/dbraw/zinc/18/80/14/449188014.db2.gz XQMYGLXEMACCOC-UHFFFAOYSA-N 0 1 347.291 1.020 20 5 EDBDMN Cc1c(C(=O)N[C@@H]2CCCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000604198955 449190720 /nfs/dbraw/zinc/19/07/20/449190720.db2.gz MTKFHHWMGZTBIE-GFCCVEGCSA-N 0 1 344.375 1.308 20 5 EDBDMN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598163058 449267780 /nfs/dbraw/zinc/26/77/80/449267780.db2.gz MQCTXRHGURYEKF-UHFFFAOYSA-N 0 1 342.193 1.991 20 5 EDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1Cc1ccccc1 ZINC000598510244 449434563 /nfs/dbraw/zinc/43/45/63/449434563.db2.gz OUPOGCWCVZILSA-CQSZACIVSA-N 0 1 329.360 1.182 20 5 EDBDMN COC(=O)[C@@](C)(NC(=O)CCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000600532818 449428522 /nfs/dbraw/zinc/42/85/22/449428522.db2.gz DHKZKLLIGDBVOO-INIZCTEOSA-N 0 1 346.343 1.455 20 5 EDBDMN COCc1nc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000596166750 449393908 /nfs/dbraw/zinc/39/39/08/449393908.db2.gz BQIDUQWUYOAITH-VIFPVBQESA-N 0 1 334.336 1.420 20 5 EDBDMN COCc1nnc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000596166750 449393911 /nfs/dbraw/zinc/39/39/11/449393911.db2.gz BQIDUQWUYOAITH-VIFPVBQESA-N 0 1 334.336 1.420 20 5 EDBDMN CC(C)(C)N1CC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596307886 449467398 /nfs/dbraw/zinc/46/73/98/449467398.db2.gz QDITVFHNAGIWPX-JTQLQIEISA-N 0 1 342.421 1.527 20 5 EDBDMN COc1ccc(OCC[N@H+]2CC[C@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000600677089 449487193 /nfs/dbraw/zinc/48/71/93/449487193.db2.gz ZHUVNGORMLNFTJ-OAHLLOKOSA-N 0 1 340.332 1.158 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2CCN[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598618120 449496429 /nfs/dbraw/zinc/49/64/29/449496429.db2.gz LRYHTWYPYPZRIS-CYBMUJFWSA-N 0 1 341.433 1.830 20 5 EDBDMN CCOC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCCC1 ZINC000594410242 449500974 /nfs/dbraw/zinc/50/09/74/449500974.db2.gz HXZPCBOKMDTFAS-GFCCVEGCSA-N 0 1 338.364 1.950 20 5 EDBDMN NC(=O)c1ccnc(NC[C@@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558066 449551915 /nfs/dbraw/zinc/55/19/15/449551915.db2.gz MIRWBBREQSAVLA-ZDUSSCGKSA-N 0 1 341.371 1.775 20 5 EDBDMN COC(=O)c1ccnc(NCc2n[nH]c([C@@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000598629984 449506588 /nfs/dbraw/zinc/50/65/88/449506588.db2.gz GDKLXUXPYOYSAE-VIFPVBQESA-N 0 1 348.319 1.358 20 5 EDBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598780007 449597001 /nfs/dbraw/zinc/59/70/01/449597001.db2.gz NBYZJNKWHPACJJ-ZDUSSCGKSA-N 0 1 342.355 1.700 20 5 EDBDMN Cc1csc(C(C)(C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])n1 ZINC000594752404 449666734 /nfs/dbraw/zinc/66/67/34/449666734.db2.gz BLACWSBQNTWPKT-UHFFFAOYSA-N 0 1 342.402 1.968 20 5 EDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COCCN1 ZINC000602558539 449673699 /nfs/dbraw/zinc/67/36/99/449673699.db2.gz RUUKUQJFEPVOFT-QWRGUYRKSA-N 0 1 325.390 1.180 20 5 EDBDMN Cc1ccsc1[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762378 449677045 /nfs/dbraw/zinc/67/70/45/449677045.db2.gz VQCMTWAFMBJKQK-VIFPVBQESA-N 0 1 343.386 1.372 20 5 EDBDMN C[C@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000594765976 449679523 /nfs/dbraw/zinc/67/95/23/449679523.db2.gz BGEFYDDKFGRTRK-TZMCWYRMSA-N 0 1 341.389 1.473 20 5 EDBDMN C[C@@H](CCO)C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1 ZINC000594771668 449684603 /nfs/dbraw/zinc/68/46/03/449684603.db2.gz LCVVFLXDPOZMRT-NSHDSACASA-N 0 1 343.405 1.457 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599102419 449734602 /nfs/dbraw/zinc/73/46/02/449734602.db2.gz LVYMKGUORBQCOP-AWEZNQCLSA-N 0 1 327.406 1.522 20 5 EDBDMN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599104753 449736586 /nfs/dbraw/zinc/73/65/86/449736586.db2.gz XGENYKBBDAMTOL-VHSXEESVSA-N 0 1 333.797 1.667 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](CO)CC1CCCCC1 ZINC000594783970 449694142 /nfs/dbraw/zinc/69/41/42/449694142.db2.gz WLKGEALCOHFTCW-GFCCVEGCSA-N 0 1 343.405 1.599 20 5 EDBDMN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])O1 ZINC000594852170 449760369 /nfs/dbraw/zinc/76/03/69/449760369.db2.gz NUFYEWFOIFOWCW-ZJUUUORDSA-N 0 1 332.353 1.970 20 5 EDBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCc4ncnn43)CC2)c1 ZINC000602763057 449788733 /nfs/dbraw/zinc/78/87/33/449788733.db2.gz LZXKJVANQFYLAV-HNNXBMFYSA-N 0 1 328.376 1.496 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000602782499 449805080 /nfs/dbraw/zinc/80/50/80/449805080.db2.gz CHBMXYCJWKXOOY-LBPRGKRZSA-N 0 1 336.314 1.735 20 5 EDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOC2CCCCCC2)n1 ZINC000599233883 449819014 /nfs/dbraw/zinc/81/90/14/449819014.db2.gz ABGAQICRUCLUCQ-UHFFFAOYSA-N 0 1 346.409 1.346 20 5 EDBDMN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233517 449819510 /nfs/dbraw/zinc/81/95/10/449819510.db2.gz CHOSYEVHUKNGNC-WDEREUQCSA-N 0 1 330.410 1.821 20 5 EDBDMN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236271 449821470 /nfs/dbraw/zinc/82/14/70/449821470.db2.gz UCSGXLGLJZDOPO-UHFFFAOYSA-N 0 1 347.441 1.119 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000602804498 449821941 /nfs/dbraw/zinc/82/19/41/449821941.db2.gz HLWRXPZKBVOMEV-PSLXWICFSA-N 0 1 336.417 1.809 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000595119355 449879795 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CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235455 449820349 /nfs/dbraw/zinc/82/03/49/449820349.db2.gz NCEPAMJTWJXSHF-QWRGUYRKSA-N 0 1 330.410 1.966 20 5 EDBDMN CC(C)NC(=O)c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199423 449793884 /nfs/dbraw/zinc/79/38/84/449793884.db2.gz KIVVKJZETGXHPE-ZDUSSCGKSA-N 0 1 336.392 1.212 20 5 EDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000599209962 449801286 /nfs/dbraw/zinc/80/12/86/449801286.db2.gz WJAMTHHTTBGCKI-SDDRHHMPSA-N 0 1 342.421 1.966 20 5 EDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000599299147 449873772 /nfs/dbraw/zinc/87/37/72/449873772.db2.gz CPBKCFMRRKAOMG-ZETCQYMHSA-N 0 1 345.768 1.416 20 5 EDBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000599343765 449908515 /nfs/dbraw/zinc/90/85/15/449908515.db2.gz USIJNKYLEHMMII-YYJSSNLHSA-N 0 1 342.421 1.821 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000601446060 449968764 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CN1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342914122 444938800 /nfs/dbraw/zinc/93/88/00/444938800.db2.gz MDIDQRVTEYRVAZ-UHFFFAOYSA-N 0 1 331.376 1.053 20 5 EDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)n1 ZINC000344614843 445087733 /nfs/dbraw/zinc/08/77/33/445087733.db2.gz GOZWRBNYEIPJNY-UHFFFAOYSA-N 0 1 344.331 1.500 20 5 EDBDMN CC[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330620099 445065103 /nfs/dbraw/zinc/06/51/03/445065103.db2.gz ZWMIOSSMFPQVCS-NEPJUHHUSA-N 0 1 337.376 1.218 20 5 EDBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000339197201 445083827 /nfs/dbraw/zinc/08/38/27/445083827.db2.gz FEZDCYFYVZTVCN-ZWNOBZJWSA-N 0 1 328.390 1.698 20 5 EDBDMN O=C([C@H]1CCCO1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330570145 445039824 /nfs/dbraw/zinc/03/98/24/445039824.db2.gz IEBATOASUBGPII-OAHLLOKOSA-N 0 1 335.360 1.124 20 5 EDBDMN Cc1nc([C@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000343360165 445209442 /nfs/dbraw/zinc/20/94/42/445209442.db2.gz LQNZBVRXPDWMCG-QMMMGPOBSA-N 0 1 347.331 1.212 20 5 EDBDMN Cc1nc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000343328357 445200687 /nfs/dbraw/zinc/20/06/87/445200687.db2.gz DEVDEDXLGSZVSR-BDAKNGLRSA-N 0 1 346.347 1.017 20 5 EDBDMN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362429404 445377812 /nfs/dbraw/zinc/37/78/12/445377812.db2.gz NLSPAKYSNIIUEG-UHFFFAOYSA-N 0 1 327.406 1.841 20 5 EDBDMN O=C(NCc1ccn(Cc2ccccc2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000357008986 445374314 /nfs/dbraw/zinc/37/43/14/445374314.db2.gz VKNYOBJSOYZRBX-UHFFFAOYSA-N 0 1 326.316 1.493 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](COCC3CC3)C2)c1[N+](=O)[O-] ZINC000362443561 445384738 /nfs/dbraw/zinc/38/47/38/445384738.db2.gz ZCZANIGSKLULPU-NSHDSACASA-N 0 1 338.364 1.148 20 5 EDBDMN COc1ccc(NS(=O)(=O)c2cc(C)cnc2N)cc1[N+](=O)[O-] ZINC000359857434 445462306 /nfs/dbraw/zinc/46/23/06/445462306.db2.gz OTGJSJBQLKFHBD-UHFFFAOYSA-N 0 1 338.345 1.690 20 5 EDBDMN O=C(NC1CCN(c2nc3ccccc3[nH]2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000362942047 445619226 /nfs/dbraw/zinc/61/92/26/445619226.db2.gz NHDCQKKHVLZZJH-FZMZJTMJSA-N 0 1 329.360 1.313 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1[N+](=O)[O-] ZINC000360317620 445692090 /nfs/dbraw/zinc/69/20/90/445692090.db2.gz KLDTYOVXOQLMDQ-LBPRGKRZSA-N 0 1 335.364 1.003 20 5 EDBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000358656149 445696810 /nfs/dbraw/zinc/69/68/10/445696810.db2.gz ZFRSRZZAKGFBJW-UHFFFAOYSA-N 0 1 328.332 1.486 20 5 EDBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000350008491 445748335 /nfs/dbraw/zinc/74/83/35/445748335.db2.gz OLDYGNCUTVNKDP-GFCCVEGCSA-N 0 1 335.389 1.666 20 5 EDBDMN CN(CC(=O)NCc1cccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356603947 445881398 /nfs/dbraw/zinc/88/13/98/445881398.db2.gz WBTBIQKBOFCQOV-UHFFFAOYSA-N 0 1 349.368 1.750 20 5 EDBDMN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1=O ZINC000356586591 445873502 /nfs/dbraw/zinc/87/35/02/445873502.db2.gz DMJIBBQBXFCTGN-VIFPVBQESA-N 0 1 331.332 1.164 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCC(c3noc(C)n3)CC2)c1[N+](=O)[O-] ZINC000369144673 445952538 /nfs/dbraw/zinc/95/25/38/445952538.db2.gz QBVPHQGNVHAQDG-UHFFFAOYSA-N 0 1 334.336 1.592 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000356727279 445970078 /nfs/dbraw/zinc/97/00/78/445970078.db2.gz LYXNLDGLCNISSD-BXUZGUMPSA-N 0 1 333.344 1.431 20 5 EDBDMN Cc1ccnc(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)c1 ZINC000364729629 445949989 /nfs/dbraw/zinc/94/99/89/445949989.db2.gz JRAKQXNDMLZHLF-NSHDSACASA-N 0 1 329.364 1.609 20 5 EDBDMN Cc1ccc(S(=O)(=O)Nc2ccc3nncn3c2)c([N+](=O)[O-])c1 ZINC000359107626 445950989 /nfs/dbraw/zinc/95/09/89/445950989.db2.gz KRTSLNZVYSILQD-UHFFFAOYSA-N 0 1 333.329 1.747 20 5 EDBDMN CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000583083011 325995841 /nfs/dbraw/zinc/99/58/41/325995841.db2.gz XSURUXQIACXTEM-CYBMUJFWSA-N 0 1 334.376 1.546 20 5 EDBDMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)C1 ZINC000369345108 446088345 /nfs/dbraw/zinc/08/83/45/446088345.db2.gz SROWURNTOKESDX-CQSZACIVSA-N 0 1 348.403 1.152 20 5 EDBDMN CCn1cc(S(=O)(=O)N[C@H](C)CC(F)(F)F)c([N+](=O)[O-])n1 ZINC000362094049 446209438 /nfs/dbraw/zinc/20/94/38/446209438.db2.gz DPXFAFLXXCQBOY-ZCFIWIBFSA-N 0 1 330.288 1.430 20 5 EDBDMN Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000373514198 446244950 /nfs/dbraw/zinc/24/49/50/446244950.db2.gz ITAKHQGMGOJDDT-UHFFFAOYSA-N 0 1 345.359 1.433 20 5 EDBDMN COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000373491341 446236114 /nfs/dbraw/zinc/23/61/14/446236114.db2.gz YKCCMYUKCCIORI-UHFFFAOYSA-N 0 1 337.376 1.485 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000362173005 446246897 /nfs/dbraw/zinc/24/68/97/446246897.db2.gz IZQPYARTTMHWGZ-LBPRGKRZSA-N 0 1 332.316 1.546 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(F)(F)C[C@@H]1CO ZINC000366691208 446312150 /nfs/dbraw/zinc/31/21/50/446312150.db2.gz QSEWFJOXTAHHDF-MRVPVSSYSA-N 0 1 326.259 1.313 20 5 EDBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000374874058 446428765 /nfs/dbraw/zinc/42/87/65/446428765.db2.gz JGUVDXBNOPJHLZ-OLZOCXBDSA-N 0 1 343.343 1.354 20 5 EDBDMN CC[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1CCOC ZINC000420592535 446695487 /nfs/dbraw/zinc/69/54/87/446695487.db2.gz AZLPRMWCVQKULL-LBPRGKRZSA-N 0 1 336.392 1.241 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420761401 446800144 /nfs/dbraw/zinc/80/01/44/446800144.db2.gz HCQDIHHMXIVLTC-LBPRGKRZSA-N 0 1 327.406 1.618 20 5 EDBDMN CC[C@@H](O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420748373 446790772 /nfs/dbraw/zinc/79/07/72/446790772.db2.gz PVVCVZYYHHMKMQ-SSDOTTSWSA-N 0 1 343.188 1.951 20 5 EDBDMN O=C(Oc1ccccc1)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000371496547 446893395 /nfs/dbraw/zinc/89/33/95/446893395.db2.gz BAWLKHABGQDPBT-KBPBESRZSA-N 0 1 333.344 1.385 20 5 EDBDMN CN1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412337159 446940577 /nfs/dbraw/zinc/94/05/77/446940577.db2.gz JDHJBZWLFFVLKA-YVSFHVDLSA-N 0 1 345.399 1.630 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425061740 447008460 /nfs/dbraw/zinc/00/84/60/447008460.db2.gz BTBITZRWNJRKMA-SNVBAGLBSA-N 0 1 338.327 1.891 20 5 EDBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425064680 447009674 /nfs/dbraw/zinc/00/96/74/447009674.db2.gz INYVZGKBEJMBKT-VIFPVBQESA-N 0 1 326.316 1.824 20 5 EDBDMN CC1CCN(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444635721 447113824 /nfs/dbraw/zinc/11/38/24/447113824.db2.gz LNNHKZXVULABTQ-UHFFFAOYSA-N 0 1 331.376 1.819 20 5 EDBDMN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2[nH]nnc2C1 ZINC000444996676 447153398 /nfs/dbraw/zinc/15/33/98/447153398.db2.gz CHFFYLPHMQCRIL-UHFFFAOYSA-N 0 1 345.362 1.998 20 5 EDBDMN COc1ccc(NC(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425654376 447254434 /nfs/dbraw/zinc/25/44/34/447254434.db2.gz BAQMWGNOZXTLSX-SECBINFHSA-N 0 1 332.320 1.743 20 5 EDBDMN C[C@H](CO)N1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733342 447257247 /nfs/dbraw/zinc/25/72/47/447257247.db2.gz WWEQZUVDAZVMQY-LLVKDONJSA-N 0 1 341.795 1.777 20 5 EDBDMN CNc1nc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000455986463 447277018 /nfs/dbraw/zinc/27/70/18/447277018.db2.gz ALEPVGGTKOLZKX-QMMMGPOBSA-N 0 1 333.352 1.764 20 5 EDBDMN O=C(c1cnc(C2CC2)[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427796364 447650920 /nfs/dbraw/zinc/65/09/20/447650920.db2.gz JEAKQPVRHHGPAZ-UHFFFAOYSA-N 0 1 330.348 1.869 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000458000750 447692898 /nfs/dbraw/zinc/69/28/98/447692898.db2.gz MFOQAFWADBZWEP-JQWIXIFHSA-N 0 1 334.376 1.912 20 5 EDBDMN CCn1cc(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000451897670 447777182 /nfs/dbraw/zinc/77/71/82/447777182.db2.gz WLNVKTVXHXQKSF-UHFFFAOYSA-N 0 1 347.441 1.210 20 5 EDBDMN CN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000556089083 448105399 /nfs/dbraw/zinc/10/53/99/448105399.db2.gz VHUFBNUSOOXRST-UHFFFAOYSA-N 0 1 332.404 1.510 20 5 EDBDMN CNc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000571278801 448125931 /nfs/dbraw/zinc/12/59/31/448125931.db2.gz NBJYFFJJLPNJSX-JTQLQIEISA-N 0 1 347.331 1.745 20 5 EDBDMN CCN(CCNc1ccc2ncc([N+](=O)[O-])n2n1)CCC(F)(F)F ZINC000491864750 448138462 /nfs/dbraw/zinc/13/84/62/448138462.db2.gz FWOBKFJVJBRROQ-UHFFFAOYSA-N 0 1 346.313 2.324 20 5 EDBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3OCCN[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000515174675 448270241 /nfs/dbraw/zinc/27/02/41/448270241.db2.gz NHTQYRCTTGZKSK-BJJXKVORSA-N 0 1 348.403 1.293 20 5 EDBDMN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN(C2CC2)C1 ZINC000578114486 448463830 /nfs/dbraw/zinc/46/38/30/448463830.db2.gz HXOCJTRMYPHHBA-LLVKDONJSA-N 0 1 347.371 1.880 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2COc3c2cccc3Cl)c1 ZINC000591754067 448481276 /nfs/dbraw/zinc/48/12/76/448481276.db2.gz ZISFGZANSNSXLI-GWCFXTLKSA-N 0 1 338.751 1.529 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000573339285 448604144 /nfs/dbraw/zinc/60/41/44/448604144.db2.gz KHBUAMOVOZKMHX-UHFFFAOYSA-N 0 1 331.332 1.532 20 5 EDBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000518200261 448654094 /nfs/dbraw/zinc/65/40/94/448654094.db2.gz IJYIDWRXSGJAPN-INIZCTEOSA-N 0 1 330.344 1.520 20 5 EDBDMN CC[C@H](C)C[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000592085399 448672208 /nfs/dbraw/zinc/67/22/08/448672208.db2.gz ZSZWEIRSARNGQC-VHSXEESVSA-N 0 1 334.369 1.809 20 5 EDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000574159176 448804422 /nfs/dbraw/zinc/80/44/22/448804422.db2.gz HIVANBBVENVCKV-ZYHUDNBSSA-N 0 1 336.392 2.529 20 5 EDBDMN C[C@@H]1CCN(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000545356590 448793008 /nfs/dbraw/zinc/79/30/08/448793008.db2.gz FWYRRZLMNWGLNT-GFCCVEGCSA-N 0 1 327.406 1.356 20 5 EDBDMN C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000568869276 448932351 /nfs/dbraw/zinc/93/23/51/448932351.db2.gz ULAZQXFZTZUDNB-LOWVWBTDSA-N 0 1 334.376 1.855 20 5 EDBDMN CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000588311679 448893980 /nfs/dbraw/zinc/89/39/80/448893980.db2.gz PLTDTWTTZSISAX-UHFFFAOYSA-N 0 1 336.392 1.193 20 5 EDBDMN COCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592763637 448977100 /nfs/dbraw/zinc/97/71/00/448977100.db2.gz YGILVEVJOABKTF-JTQLQIEISA-N 0 1 343.767 1.404 20 5 EDBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000595608328 449076219 /nfs/dbraw/zinc/07/62/19/449076219.db2.gz NTHIIYDIQDBFKK-LLVKDONJSA-N 0 1 328.332 1.850 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1C ZINC000589929544 449083277 /nfs/dbraw/zinc/08/32/77/449083277.db2.gz 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FWVKFNBRXVBSJF-HUUCEWRRSA-N 0 1 349.431 1.729 20 5 EDBDMN CC(C)=C(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005635 708154308 /nfs/dbraw/zinc/15/43/08/708154308.db2.gz FCSRMSNHILVVCT-HUUCEWRRSA-N 0 1 349.431 1.849 20 5 EDBDMN CCc1ccccc1CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001803211 708316474 /nfs/dbraw/zinc/31/64/74/708316474.db2.gz QVUSNRKGMRFJEP-HZPDHXFCSA-N 0 1 345.399 1.031 20 5 EDBDMN O=C(Cn1cccn1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002338197 708819166 /nfs/dbraw/zinc/81/91/66/708819166.db2.gz JTJLUSGJKHGETH-UHFFFAOYSA-N 0 1 343.387 1.572 20 5 EDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cccnc2)c1 ZINC000065978375 138175426 /nfs/dbraw/zinc/17/54/26/138175426.db2.gz VVARAYDDGZXIGD-UHFFFAOYSA-N 0 1 336.373 1.058 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000068217804 138193305 /nfs/dbraw/zinc/19/33/05/138193305.db2.gz XCGNFMGXRZZGNI-CQSZACIVSA-N 0 1 349.366 1.658 20 5 EDBDMN CCC[C@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CCN1CCOC ZINC000091680756 138284478 /nfs/dbraw/zinc/28/44/78/138284478.db2.gz OWDJPOVWGXMAGI-ZDUSSCGKSA-N 0 1 339.440 1.828 20 5 EDBDMN Cc1c(CC(=O)N2CC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000125655822 138335464 /nfs/dbraw/zinc/33/54/64/138335464.db2.gz FXFNVCMBLNVUNX-OAHLLOKOSA-N 0 1 347.415 1.626 20 5 EDBDMN C[C@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CCO1 ZINC000130450562 138341433 /nfs/dbraw/zinc/34/14/33/138341433.db2.gz KLVFZJQKKDMIQE-LBPRGKRZSA-N 0 1 349.387 1.626 20 5 EDBDMN CN(C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000186766076 236011602 /nfs/dbraw/zinc/01/16/02/236011602.db2.gz KBSIVRQSGAKAQB-LLVKDONJSA-N 0 1 336.373 1.790 20 5 EDBDMN COC(=O)c1cnc(N2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000413555671 304066659 /nfs/dbraw/zinc/06/66/59/304066659.db2.gz RRAPSDWZVQDIBD-VIFPVBQESA-N 0 1 332.320 1.197 20 5 EDBDMN COC(=O)c1cnc(N2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000413555671 304066661 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RKJWIAKKOZTURB-ZDUSSCGKSA-N 0 1 337.376 1.180 20 5 EDBDMN Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002073 443925670 /nfs/dbraw/zinc/92/56/70/443925670.db2.gz CKCKFSJHADFVRV-AWEZNQCLSA-N 0 1 343.387 1.641 20 5 EDBDMN Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002073 443925673 /nfs/dbraw/zinc/92/56/73/443925673.db2.gz CKCKFSJHADFVRV-AWEZNQCLSA-N 0 1 343.387 1.641 20 5 EDBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1F ZINC000285300901 443933635 /nfs/dbraw/zinc/93/36/35/443933635.db2.gz PMTWFRVHHHESOS-KBPBESRZSA-N 0 1 337.351 1.587 20 5 EDBDMN Cc1c(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c(F)ccc1[N+](=O)[O-] ZINC000285386694 443965218 /nfs/dbraw/zinc/96/52/18/443965218.db2.gz YFZALSWPBRUGOO-MRVPVSSYSA-N 0 1 333.341 1.261 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000288837900 443995895 /nfs/dbraw/zinc/99/58/95/443995895.db2.gz WBDXALJZOVQBFO-QWRGUYRKSA-N 0 1 336.373 1.536 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000299445027 444048354 /nfs/dbraw/zinc/04/83/54/444048354.db2.gz YIOSLMOPPMCALK-UHFFFAOYSA-N 0 1 333.323 1.728 20 5 EDBDMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n[nH]1 ZINC000285521015 444014385 /nfs/dbraw/zinc/01/43/85/444014385.db2.gz ZEFVRWPVHFJDMM-SECBINFHSA-N 0 1 339.377 1.678 20 5 EDBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N2CCCC2)o1 ZINC000285549501 444024610 /nfs/dbraw/zinc/02/46/10/444024610.db2.gz IISYNYXDHOIJTA-GFCCVEGCSA-N 0 1 333.348 1.786 20 5 EDBDMN CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000285709784 444080682 /nfs/dbraw/zinc/08/06/82/444080682.db2.gz JESDDQOPKZCSIW-UONOGXRCSA-N 0 1 339.779 1.793 20 5 EDBDMN Cc1cc(OCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285714427 444082542 /nfs/dbraw/zinc/08/25/42/444082542.db2.gz JJPNJHINONABGM-CVEARBPZSA-N 0 1 349.387 1.214 20 5 EDBDMN C[C@H]1C[N@@H+](CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000563208721 321100482 /nfs/dbraw/zinc/10/04/82/321100482.db2.gz WWEONQOCACQXGH-NSHDSACASA-N 0 1 338.364 1.601 20 5 EDBDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566451952 321231369 /nfs/dbraw/zinc/23/13/69/321231369.db2.gz GYIWUDUKMDOLJC-LLVKDONJSA-N 0 1 330.344 1.918 20 5 EDBDMN O=C(CCc1nc[nH]n1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569526761 321329265 /nfs/dbraw/zinc/32/92/65/321329265.db2.gz GRGVCGRTUMTGFO-UHFFFAOYSA-N 0 1 328.332 1.486 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000285820788 444118506 /nfs/dbraw/zinc/11/85/06/444118506.db2.gz OYKOVSBAVWWWCM-HNNXBMFYSA-N 0 1 346.347 1.455 20 5 EDBDMN CN1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000285885747 444141347 /nfs/dbraw/zinc/14/13/47/444141347.db2.gz SBHZMBBQMNSQER-UKRRQHHQSA-N 0 1 345.355 1.886 20 5 EDBDMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258031 444158746 /nfs/dbraw/zinc/15/87/46/444158746.db2.gz ARDAYSRGLZUTMM-YPMHNXCESA-N 0 1 343.391 1.685 20 5 EDBDMN Cc1ccnc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000301647661 444183343 /nfs/dbraw/zinc/18/33/43/444183343.db2.gz OLSCKAZYSKDQMZ-UHFFFAOYSA-N 0 1 336.373 1.689 20 5 EDBDMN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000301990414 444199761 /nfs/dbraw/zinc/19/97/61/444199761.db2.gz MNUJNEHKHIZPJN-UHFFFAOYSA-N 0 1 347.335 1.252 20 5 EDBDMN CC(C)N1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000331027302 444364672 /nfs/dbraw/zinc/36/46/72/444364672.db2.gz CBQWWFDOSWBHSG-CQSZACIVSA-N 0 1 341.433 1.887 20 5 EDBDMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298082559 444409395 /nfs/dbraw/zinc/40/93/95/444409395.db2.gz LSUYLAZZYOPHEF-ZDUSSCGKSA-N 0 1 342.355 1.700 20 5 EDBDMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298082559 444409398 /nfs/dbraw/zinc/40/93/98/444409398.db2.gz LSUYLAZZYOPHEF-ZDUSSCGKSA-N 0 1 342.355 1.700 20 5 EDBDMN CCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338328092 444635651 /nfs/dbraw/zinc/63/56/51/444635651.db2.gz IRZXMUAEYTUPHY-CQSZACIVSA-N 0 1 335.360 1.443 20 5 EDBDMN Cc1ccc2nc(CNC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000343997101 444717158 /nfs/dbraw/zinc/71/71/58/444717158.db2.gz ZYRGHAPNOUCTEB-UHFFFAOYSA-N 0 1 341.327 1.258 20 5 EDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(O[C@H]2CCOC2)CC1 ZINC000341579433 444905246 /nfs/dbraw/zinc/90/52/46/444905246.db2.gz VMVVHXBHWYVVKP-HNNXBMFYSA-N 0 1 337.376 1.026 20 5 EDBDMN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000190102037 533706401 /nfs/dbraw/zinc/70/64/01/533706401.db2.gz CVJDKMSFCYQIKJ-SECBINFHSA-N 0 1 325.350 1.369 20 5 EDBDMN COc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc([N+](=O)[O-])c1OC ZINC000344355264 444914733 /nfs/dbraw/zinc/91/47/33/444914733.db2.gz PEFWZEYRYIPDOB-JTQLQIEISA-N 0 1 346.343 1.622 20 5 EDBDMN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339054525 445011470 /nfs/dbraw/zinc/01/14/70/445011470.db2.gz QUGVQHKLCIDXPL-UHFFFAOYSA-N 0 1 336.436 1.758 20 5 EDBDMN Nc1c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000339197443 445084842 /nfs/dbraw/zinc/08/48/42/445084842.db2.gz CZVBLUXMMZLXTG-MRVPVSSYSA-N 0 1 333.304 1.285 20 5 EDBDMN Cn1cc([C@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2CO)cn1 ZINC000339129575 445046282 /nfs/dbraw/zinc/04/62/82/445046282.db2.gz TZYJFQUNKDUKAF-UKRRQHHQSA-N 0 1 332.360 1.242 20 5 EDBDMN COC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC ZINC000344680020 445123486 /nfs/dbraw/zinc/12/34/86/445123486.db2.gz QTUNHMNCXLQMNV-UHFFFAOYSA-N 0 1 334.288 1.043 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN[C@H](c2ccncc2)C1 ZINC000337665939 445193226 /nfs/dbraw/zinc/19/32/26/445193226.db2.gz SLMJVKUASFIZRZ-HNNXBMFYSA-N 0 1 328.328 1.482 20 5 EDBDMN CO[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000345305832 445178686 /nfs/dbraw/zinc/17/86/86/445178686.db2.gz JPOUGPWIUASXPM-LURJTMIESA-N 0 1 348.324 1.902 20 5 EDBDMN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343346062 445206488 /nfs/dbraw/zinc/20/64/88/445206488.db2.gz VMAKMMHLDHUBLI-HZMBPMFUSA-N 0 1 334.307 1.965 20 5 EDBDMN CO[C@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000348536913 445318598 /nfs/dbraw/zinc/31/85/98/445318598.db2.gz DQBQUSYZKJYNDI-ONGXEEELSA-N 0 1 346.347 1.521 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c1 ZINC000351789732 445322417 /nfs/dbraw/zinc/32/24/17/445322417.db2.gz GAZZIIXAMMUWHA-UHFFFAOYSA-N 0 1 341.433 1.926 20 5 EDBDMN CCN(CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C1CC1 ZINC000351846361 445341641 /nfs/dbraw/zinc/34/16/41/445341641.db2.gz AOUIBVZFEPBOFA-UHFFFAOYSA-N 0 1 341.433 1.974 20 5 EDBDMN CCc1nnc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000359714211 445388757 /nfs/dbraw/zinc/38/87/57/445388757.db2.gz QUWWFPHAJHPBKH-UHFFFAOYSA-N 0 1 332.345 1.815 20 5 EDBDMN CCc1nc([C@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000362994309 445642723 /nfs/dbraw/zinc/64/27/23/445642723.db2.gz VXDUTSIOGXJIIG-ZETCQYMHSA-N 0 1 339.302 1.973 20 5 EDBDMN CN1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000353646715 445690746 /nfs/dbraw/zinc/69/07/46/445690746.db2.gz FIGXHOYEAKSIBT-HZPDHXFCSA-N 0 1 347.415 1.804 20 5 EDBDMN C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000349873106 445706768 /nfs/dbraw/zinc/70/67/68/445706768.db2.gz IXEOVBVHWPYATA-QMMMGPOBSA-N 0 1 340.365 1.136 20 5 EDBDMN CCCc1nc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2)no1 ZINC000363235718 445735001 /nfs/dbraw/zinc/73/50/01/445735001.db2.gz AXSHCRVTIMYGGT-SGMGOOAPSA-N 0 1 330.344 1.893 20 5 EDBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000356352639 445748507 /nfs/dbraw/zinc/74/85/07/445748507.db2.gz FHRZHDMYZPCEKK-LLVKDONJSA-N 0 1 342.373 1.340 20 5 EDBDMN Cc1ncc2n1CC[C@H](c1nc(-c3c([N+](=O)[O-])nc(C)n3C)no1)C2 ZINC000350440966 445828986 /nfs/dbraw/zinc/82/89/86/445828986.db2.gz SUPKDDICMIVLBK-JTQLQIEISA-N 0 1 343.347 1.922 20 5 EDBDMN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356605135 445881901 /nfs/dbraw/zinc/88/19/01/445881901.db2.gz XTKOSOIGNRUSEU-ZDUSSCGKSA-N 0 1 348.336 1.559 20 5 EDBDMN COC(=O)COc1ccc(CN2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660578 445865848 /nfs/dbraw/zinc/86/58/48/445865848.db2.gz LCRGLBNSSJTVJZ-WCQYABFASA-N 0 1 338.360 1.207 20 5 EDBDMN O=C(N[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000369061050 445902738 /nfs/dbraw/zinc/90/27/38/445902738.db2.gz DMTNOJKLNYCRSX-CQSZACIVSA-N 0 1 333.388 1.964 20 5 EDBDMN Cc1cc(NC[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887993 445965924 /nfs/dbraw/zinc/96/59/24/445965924.db2.gz LOSGUDRPDLIDIY-GUYCJALGSA-N 0 1 344.419 2.527 20 5 EDBDMN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356803760 446036389 /nfs/dbraw/zinc/03/63/89/446036389.db2.gz NAQXSUBHISQLMJ-LBPRGKRZSA-N 0 1 336.344 1.758 20 5 EDBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000356873343 446086390 /nfs/dbraw/zinc/08/63/90/446086390.db2.gz GZVQXOXYEOSYKW-NEPJUHHUSA-N 0 1 349.387 1.460 20 5 EDBDMN CCc1[nH]nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000369347709 446090621 /nfs/dbraw/zinc/09/06/21/446090621.db2.gz GBPDZCUDSMMUPH-IEBDPFPHSA-N 0 1 335.364 1.139 20 5 EDBDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000362324501 446320125 /nfs/dbraw/zinc/32/01/25/446320125.db2.gz ZPIJIAGVQITVGW-CQSZACIVSA-N 0 1 335.408 1.117 20 5 EDBDMN CCc1nnc2n1C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365803563 446349921 /nfs/dbraw/zinc/34/99/21/446349921.db2.gz BYIOVMPOUNOAMZ-NSHDSACASA-N 0 1 346.347 1.762 20 5 EDBDMN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000366851518 446382612 /nfs/dbraw/zinc/38/26/12/446382612.db2.gz NSFLCIUWRZGLNQ-JQWIXIFHSA-N 0 1 343.343 1.237 20 5 EDBDMN COc1cc(OC)cc([C@]2(F)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000374977855 446493267 /nfs/dbraw/zinc/49/32/67/446493267.db2.gz HRRNQNGFDPBZIC-YCPHGPKFSA-N 0 1 338.335 1.766 20 5 EDBDMN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452950970 446513234 /nfs/dbraw/zinc/51/32/34/446513234.db2.gz UQGZDNMODXPHEC-DZGCQCFKSA-N 0 1 344.371 1.998 20 5 EDBDMN Cc1cc(NC(=O)C(=O)N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411400886 446518664 /nfs/dbraw/zinc/51/86/64/446518664.db2.gz VRXXDSCSFATLHR-LBPRGKRZSA-N 0 1 334.376 1.394 20 5 EDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375042370 446537711 /nfs/dbraw/zinc/53/77/11/446537711.db2.gz SHQCEVZKVLLZLB-TZMCWYRMSA-N 0 1 339.417 1.618 20 5 EDBDMN O=C(CCN1CCC[C@@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376559584 446575965 /nfs/dbraw/zinc/57/59/65/446575965.db2.gz XOAPGSLOSNWLOU-HNNXBMFYSA-N 0 1 325.340 1.720 20 5 EDBDMN COC(=O)CCC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000433754304 446594968 /nfs/dbraw/zinc/59/49/68/446594968.db2.gz TWGGGZWNGVLJEL-UHFFFAOYSA-N 0 1 348.352 1.744 20 5 EDBDMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000371243181 446711981 /nfs/dbraw/zinc/71/19/81/446711981.db2.gz SIHVAQSSLSJWEO-CQSZACIVSA-N 0 1 343.387 1.960 20 5 EDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000375399966 446774966 /nfs/dbraw/zinc/77/49/66/446774966.db2.gz BDSASLWOOZNOFO-NSHDSACASA-N 0 1 334.311 1.802 20 5 EDBDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420775353 446811209 /nfs/dbraw/zinc/81/12/09/446811209.db2.gz ZTIKICUXCMJWDK-LLVKDONJSA-N 0 1 347.824 1.963 20 5 EDBDMN COc1ccc([N+](=O)[O-])c(CC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c1F ZINC000412214903 446901083 /nfs/dbraw/zinc/90/10/83/446901083.db2.gz LDQWYIGDTQLRAF-QWRGUYRKSA-N 0 1 339.367 1.836 20 5 EDBDMN CN1CCN(C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412108885 446864935 /nfs/dbraw/zinc/86/49/35/446864935.db2.gz NZGUHZHKEOHJMB-OWCLPIDISA-N 0 1 332.404 1.060 20 5 EDBDMN CC[C@@H](NC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162487 446979746 /nfs/dbraw/zinc/97/97/46/446979746.db2.gz KHHNQFZJKVWMEO-TYNCELHUSA-N 0 1 348.403 1.371 20 5 EDBDMN CCOCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421010616 446983906 /nfs/dbraw/zinc/98/39/06/446983906.db2.gz JAGKJMMIIHFMGE-UHFFFAOYSA-N 0 1 345.421 1.232 20 5 EDBDMN C[C@@H]1CC[S@](=O)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000377293145 447044361 /nfs/dbraw/zinc/04/43/61/447044361.db2.gz UJTWSRVVXZUJHJ-WBNWAKSLSA-N 0 1 336.373 1.454 20 5 EDBDMN Cc1sc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425215224 447066510 /nfs/dbraw/zinc/06/65/10/447066510.db2.gz MKBGODNNEJPYFE-MRVPVSSYSA-N 0 1 343.390 1.261 20 5 EDBDMN CN(Cc1nccc(N)n1)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000372536132 447118400 /nfs/dbraw/zinc/11/84/00/447118400.db2.gz BOTUMPQPZARRBS-OAHLLOKOSA-N 0 1 342.403 1.673 20 5 EDBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000425348906 447123516 /nfs/dbraw/zinc/12/35/16/447123516.db2.gz CUDZRJHNYTWEAE-JTQLQIEISA-N 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Cc1nc(C)c(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])s1 ZINC000594761454 449675754 /nfs/dbraw/zinc/67/57/54/449675754.db2.gz YVYAEAQFXAEIGH-UHFFFAOYSA-N 0 1 328.375 1.542 20 5 EDBDMN CC[C@@H](C[NH+]1CCCC1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762212 449676188 /nfs/dbraw/zinc/67/61/88/449676188.db2.gz FRCSMDVDKZWVIU-NSHDSACASA-N 0 1 328.394 1.143 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@@H]1C(C)C ZINC000599100084 449732147 /nfs/dbraw/zinc/73/21/47/449732147.db2.gz DVRNKKCLYUWSMR-GFCCVEGCSA-N 0 1 343.405 1.222 20 5 EDBDMN CN1CCN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601100863 449689585 /nfs/dbraw/zinc/68/95/85/449689585.db2.gz DFJLAVWNKKSTSS-UHFFFAOYSA-N 0 1 346.366 1.888 20 5 EDBDMN NC(=O)[C@@H]1CCCN1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599130600 449753975 /nfs/dbraw/zinc/75/39/75/449753975.db2.gz DXXHGNNBAKGHRE-HNNXBMFYSA-N 0 1 343.387 1.895 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)CCN2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601337178 449846226 /nfs/dbraw/zinc/84/62/26/449846226.db2.gz YVIWXVKVTVKDLV-UHFFFAOYSA-N 0 1 345.396 1.759 20 5 EDBDMN CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599251765 449833004 /nfs/dbraw/zinc/83/30/04/449833004.db2.gz XYPRUQPOUZAHNV-NXEZZACHSA-N 0 1 348.450 1.671 20 5 EDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[C@H]2CCCCO2)n1 ZINC000599257831 449838388 /nfs/dbraw/zinc/83/83/88/449838388.db2.gz PBAGPGYZUGTDEW-LLVKDONJSA-N 0 1 346.409 1.202 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602832079 449843271 /nfs/dbraw/zinc/84/32/71/449843271.db2.gz QDZMVWMABSJTND-GHMZBOCLSA-N 0 1 336.314 1.592 20 5 EDBDMN CC(C)O[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1(C)C ZINC000599278340 449854380 /nfs/dbraw/zinc/85/43/80/449854380.db2.gz FHICRUPNJSDLFN-QWRGUYRKSA-N 0 1 346.409 1.199 20 5 EDBDMN CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359041 449873344 /nfs/dbraw/zinc/87/33/44/449873344.db2.gz PXPPYIXTRXIVIH-WCBMZHEXSA-N 0 1 333.435 1.583 20 5 EDBDMN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCN(C)C1 ZINC000595110134 449874233 /nfs/dbraw/zinc/87/42/33/449874233.db2.gz GWMOKNJAGPIHLT-ZDUSSCGKSA-N 0 1 348.403 1.703 20 5 EDBDMN Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601343754 449853301 /nfs/dbraw/zinc/85/33/01/449853301.db2.gz QNTXFDLKMNYKLN-VHSXEESVSA-N 0 1 331.369 1.413 20 5 EDBDMN COCCN1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000609268814 449996444 /nfs/dbraw/zinc/99/64/44/449996444.db2.gz CYQLTZJFJVZJMI-NSHDSACASA-N 0 1 347.375 1.312 20 5 EDBDMN CCCN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000595353661 450068311 /nfs/dbraw/zinc/06/83/11/450068311.db2.gz JHIFYRXYFCZXSH-CYBMUJFWSA-N 0 1 341.433 1.974 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN[C@H](C(C)C)C2)cc1C ZINC000595412963 450125040 /nfs/dbraw/zinc/12/50/40/450125040.db2.gz PYNJUCODNLLZKP-ZDUSSCGKSA-N 0 1 341.433 1.830 20 5 EDBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cc(C)[nH]n1 ZINC000610429064 450214803 /nfs/dbraw/zinc/21/48/03/450214803.db2.gz OAYUEAGSIOHCOO-NSHDSACASA-N 0 1 335.368 1.175 20 5 EDBDMN Cn1cc([C@H](NCCn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000595495999 450183723 /nfs/dbraw/zinc/18/37/23/450183723.db2.gz XCGZFBSSIQHXQT-AWEZNQCLSA-N 0 1 334.380 1.018 20 5 EDBDMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610776760 450332557 /nfs/dbraw/zinc/33/25/57/450332557.db2.gz RMABVXAZDQIMCT-GFCCVEGCSA-N 0 1 325.288 1.022 20 5 EDBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCS(=O)(=O)C1 ZINC000619785206 450334704 /nfs/dbraw/zinc/33/47/04/450334704.db2.gz XSICNDVXHCYEBL-AWEZNQCLSA-N 0 1 326.418 1.894 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000610765806 450328392 /nfs/dbraw/zinc/32/83/92/450328392.db2.gz LWURWKKNCPSVLS-UHFFFAOYSA-N 0 1 340.343 1.996 20 5 EDBDMN COCCN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619435094 450472452 /nfs/dbraw/zinc/47/24/52/450472452.db2.gz SCCPJBIBEWBQQI-GFCCVEGCSA-N 0 1 337.376 1.444 20 5 EDBDMN CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619466502 450482082 /nfs/dbraw/zinc/48/20/82/450482082.db2.gz RSHYFHPMBSJGLD-UHFFFAOYSA-N 0 1 343.405 1.366 20 5 EDBDMN C[S@@](=O)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000619552826 450504959 /nfs/dbraw/zinc/50/49/59/450504959.db2.gz QARRYOMVUONDND-HSZRJFAPSA-N 0 1 340.401 1.757 20 5 EDBDMN O=C([O-])NC[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000740642569 579373377 /nfs/dbraw/zinc/37/33/77/579373377.db2.gz NVDMSQRCLNLERV-BXUZGUMPSA-N 0 1 348.359 1.290 20 5 EDBDMN O=C([O-])NC[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000740642569 579373378 /nfs/dbraw/zinc/37/33/78/579373378.db2.gz NVDMSQRCLNLERV-BXUZGUMPSA-N 0 1 348.359 1.290 20 5 EDBDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c[nH]1 ZINC000743251827 579474115 /nfs/dbraw/zinc/47/41/15/579474115.db2.gz XGGQMNIBCNEDOY-UHFFFAOYSA-N 0 1 340.317 1.093 20 5 EDBDMN CCc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n[nH]1 ZINC000738382763 578501977 /nfs/dbraw/zinc/50/19/77/578501977.db2.gz HJWKEWVEQVKYLY-UHFFFAOYSA-N 0 1 338.389 1.921 20 5 EDBDMN COc1ccc(NC(=O)[C@@H](C)N2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761083027 580047554 /nfs/dbraw/zinc/04/75/54/580047554.db2.gz SFDSKTQYDOJXDB-NWDGAFQWSA-N 0 1 336.392 1.566 20 5 EDBDMN C[C@@H](C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1)C(=O)[O-] ZINC000736580966 579002578 /nfs/dbraw/zinc/00/25/78/579002578.db2.gz GLBCADWUVGUDKU-NSHDSACASA-N 0 1 345.359 1.996 20 5 EDBDMN CN1CC[N@@H+](C)C[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737526915 579104777 /nfs/dbraw/zinc/10/47/77/579104777.db2.gz ZGZCIXKAJZCAOD-RYWCDNDXSA-N 0 1 334.376 1.350 20 5 EDBDMN C[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000751930846 579828481 /nfs/dbraw/zinc/82/84/81/579828481.db2.gz VFKOQAWKGPDDTC-JKDFXYPNSA-N 0 1 346.387 1.907 20 5 EDBDMN CC[C@]1(C)NC(=O)N(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1=O ZINC000769813806 580245881 /nfs/dbraw/zinc/24/58/81/580245881.db2.gz LYCHNRBUNVGUFQ-HNNXBMFYSA-N 0 1 345.315 1.441 20 5 EDBDMN Cc1nn(CCC(=O)OCc2nc(C(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000795371991 580920346 /nfs/dbraw/zinc/92/03/46/580920346.db2.gz RCRJKJRMYAWSOA-UHFFFAOYSA-N 0 1 336.352 1.783 20 5 EDBDMN Cc1nn(CCC(=O)OCc2n[nH]c(C(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000795371991 580920347 /nfs/dbraw/zinc/92/03/47/580920347.db2.gz RCRJKJRMYAWSOA-UHFFFAOYSA-N 0 1 336.352 1.783 20 5 EDBDMN C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000892282503 590911661 /nfs/dbraw/zinc/91/16/61/590911661.db2.gz UFWNUEWDOILOJD-GFCCVEGCSA-N 0 1 347.394 1.752 20 5 EDBDMN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000896533493 591498870 /nfs/dbraw/zinc/49/88/70/591498870.db2.gz OVMZIEJMAWBOCD-ABAIWWIYSA-N 0 1 338.383 1.027 20 5 EDBDMN CNc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000896582720 591540896 /nfs/dbraw/zinc/54/08/96/591540896.db2.gz YHEOOJBMNUQLBU-XHDPSFHLSA-N 0 1 335.408 1.001 20 5 EDBDMN CCN(CCC(=O)NC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000897709974 591628992 /nfs/dbraw/zinc/62/89/92/591628992.db2.gz NONCSPLPVQVZSL-UHFFFAOYSA-N 0 1 325.365 1.570 20 5 EDBDMN Cc1ccc([C@@H](C)NC(=O)C2CN([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000896853992 591635051 /nfs/dbraw/zinc/63/50/51/591635051.db2.gz SQKRTRDYSYPDJW-DOMZBBRYSA-N 0 1 333.388 1.801 20 5 EDBDMN CN1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901350999 592343966 /nfs/dbraw/zinc/34/39/66/592343966.db2.gz NMGLJZWSUCHORL-IUODEOHRSA-N 0 1 341.795 1.362 20 5 EDBDMN O=C1C[C@H](NCC[N+](=O)[O-])CN1Cc1ccccc1C(F)(F)F ZINC000905213648 592469153 /nfs/dbraw/zinc/46/91/53/592469153.db2.gz DXXAVGFWBDPJTP-NSHDSACASA-N 0 1 331.294 1.673 20 5 EDBDMN CN1CCC2(CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000907852478 592814969 /nfs/dbraw/zinc/81/49/69/592814969.db2.gz CFXTYMYFPIRGLZ-UHFFFAOYSA-N 0 1 343.380 1.593 20 5 EDBDMN CCOc1ccc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000839481342 593305583 /nfs/dbraw/zinc/30/55/83/593305583.db2.gz XQOVQEQZNQFBBJ-HZPDHXFCSA-N 0 1 333.388 1.395 20 5 EDBDMN COc1cc2[nH]c(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2c(OC)c1 ZINC000839698922 593365901 /nfs/dbraw/zinc/36/59/01/593365901.db2.gz IPCGEHODFLGBNJ-UKRRQHHQSA-N 0 1 347.371 1.899 20 5 EDBDMN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839711062 593372500 /nfs/dbraw/zinc/37/25/00/593372500.db2.gz KKCNONPUTMBARW-CYZMBNFOSA-N 0 1 346.305 1.638 20 5 EDBDMN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627258 593644666 /nfs/dbraw/zinc/64/46/66/593644666.db2.gz XLAFNIAEMNHMIR-SKDRFNHKSA-N 0 1 326.422 1.695 20 5 EDBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819720659 593765201 /nfs/dbraw/zinc/76/52/01/593765201.db2.gz RLRZUVVCLSSLKM-LLVKDONJSA-N 0 1 341.331 1.079 20 5 EDBDMN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Br ZINC000840411098 593977312 /nfs/dbraw/zinc/97/73/12/593977312.db2.gz NZVHHNIGPRBCGG-PSASIEDQSA-N 0 1 343.133 1.839 20 5 EDBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000840423983 593988581 /nfs/dbraw/zinc/98/85/81/593988581.db2.gz HPZHFYSXSPVHNQ-HLUHBDAQSA-N 0 1 342.735 1.344 20 5 EDBDMN Cc1ccc(CNC(=O)C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000825634377 594209565 /nfs/dbraw/zinc/20/95/65/594209565.db2.gz QEFGBEFZGSUJHR-UHFFFAOYSA-N 0 1 335.404 1.878 20 5 EDBDMN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000828023772 594324322 /nfs/dbraw/zinc/32/43/22/594324322.db2.gz AXGHCAZVUJXBSI-CQSZACIVSA-N 0 1 341.751 1.983 20 5 EDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000828023772 594324326 /nfs/dbraw/zinc/32/43/26/594324326.db2.gz AXGHCAZVUJXBSI-CQSZACIVSA-N 0 1 341.751 1.983 20 5 EDBDMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829160250 594575764 /nfs/dbraw/zinc/57/57/64/594575764.db2.gz GGZLWYKKMRFLHZ-KGLIPLIRSA-N 0 1 347.371 1.992 20 5 EDBDMN C[C@H](C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000827449205 594673232 /nfs/dbraw/zinc/67/32/32/594673232.db2.gz IXSUHFNRWYGABR-LLVKDONJSA-N 0 1 335.360 1.743 20 5 EDBDMN O=C([O-])[C@]1(F)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000833100393 594797590 /nfs/dbraw/zinc/79/75/90/594797590.db2.gz UVNXQYOQCDJOAR-AWEZNQCLSA-N 0 1 325.296 1.422 20 5 EDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1F ZINC000840673448 594808242 /nfs/dbraw/zinc/80/82/42/594808242.db2.gz ZWDFGNSSZKIHIQ-SOCHQFKDSA-N 0 1 339.279 1.071 20 5 EDBDMN Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000833921017 594965957 /nfs/dbraw/zinc/96/59/57/594965957.db2.gz PZQLGKREJCGCCD-RWMBFGLXSA-N 0 1 337.380 1.734 20 5 EDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000834186810 595046743 /nfs/dbraw/zinc/04/67/43/595046743.db2.gz KSLVOIHYVYGNDQ-MIGQKNRLSA-N 0 1 349.387 1.996 20 5 EDBDMN 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443367025 /nfs/dbraw/zinc/36/70/25/443367025.db2.gz JKOVDQDCNDDROA-UHFFFAOYSA-N 0 1 333.266 1.621 20 5 EDBDMN CN(C)[C@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267182291 443369846 /nfs/dbraw/zinc/36/98/46/443369846.db2.gz XPDTWOQMRKBCAT-ZDUSSCGKSA-N 0 1 345.446 1.310 20 5 EDBDMN CN1CCN(C)[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264833143 443445281 /nfs/dbraw/zinc/44/52/81/443445281.db2.gz ZUUPAGCZJLAMGB-LBPRGKRZSA-N 0 1 333.392 1.137 20 5 EDBDMN CNC(=O)[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000272788472 443445337 /nfs/dbraw/zinc/44/53/37/443445337.db2.gz BUDXEEUHJCWZHG-HNNXBMFYSA-N 0 1 330.344 1.403 20 5 EDBDMN NC(=O)c1cc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132694 443534526 /nfs/dbraw/zinc/53/45/26/443534526.db2.gz NMTIXBOTUAXBBT-LLVKDONJSA-N 0 1 347.350 1.936 20 5 EDBDMN NC(=O)C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000265176950 443558844 /nfs/dbraw/zinc/55/88/44/443558844.db2.gz IGKWJQSACWFBBP-UHFFFAOYSA-N 0 1 331.332 1.247 20 5 EDBDMN CN(C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)ccc1F ZINC000265235292 443579110 /nfs/dbraw/zinc/57/91/10/443579110.db2.gz RTRAOBLRDVMQPB-UHFFFAOYSA-N 0 1 347.350 1.902 20 5 EDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272428112 443622773 /nfs/dbraw/zinc/62/27/73/443622773.db2.gz IVDWYSLWVQVWQI-NHYWBVRUSA-N 0 1 348.359 1.978 20 5 EDBDMN O=C(NCC1CCN(c2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000279912583 443640376 /nfs/dbraw/zinc/64/03/76/443640376.db2.gz VMOVEXQIVYSVGX-UHFFFAOYSA-N 0 1 329.360 1.964 20 5 EDBDMN O=C(CN1CCc2cn[nH]c2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611008709 450403847 /nfs/dbraw/zinc/40/38/47/450403847.db2.gz HLDUNPPQSMWYDA-UHFFFAOYSA-N 0 1 327.344 1.265 20 5 EDBDMN C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCOCC1 ZINC000276736037 443807277 /nfs/dbraw/zinc/80/72/77/443807277.db2.gz FDTUITWSZTXXLJ-UHFFFAOYSA-N 0 1 338.360 1.435 20 5 EDBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCOCC1 ZINC000276736037 443807282 /nfs/dbraw/zinc/80/72/82/443807282.db2.gz FDTUITWSZTXXLJ-UHFFFAOYSA-N 0 1 338.360 1.435 20 5 EDBDMN O=C(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000298750756 443857843 /nfs/dbraw/zinc/85/78/43/443857843.db2.gz GMVIRHRBLOZTII-UHFFFAOYSA-N 0 1 331.332 1.213 20 5 EDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293171122 443942973 /nfs/dbraw/zinc/94/29/73/443942973.db2.gz CZAFFCXUMQAVBE-INIZCTEOSA-N 0 1 343.383 1.729 20 5 EDBDMN COCCOCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289066626 444045973 /nfs/dbraw/zinc/04/59/73/444045973.db2.gz RQTPFLZTHPXZEK-UHFFFAOYSA-N 0 1 325.365 1.518 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293550165 444051744 /nfs/dbraw/zinc/05/17/44/444051744.db2.gz DXFXIRMGNVTOMF-MRXNPFEDSA-N 0 1 331.376 1.824 20 5 EDBDMN C[C@@H](C(=O)NCCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521406 321329012 /nfs/dbraw/zinc/32/90/12/321329012.db2.gz FOSVNRUQMGJBGZ-DOMZBBRYSA-N 0 1 348.403 1.154 20 5 EDBDMN CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000570800677 321357782 /nfs/dbraw/zinc/35/77/82/321357782.db2.gz XGLZDXNXOAYICI-AWEZNQCLSA-N 0 1 330.344 1.688 20 5 EDBDMN O=c1nc(CCCNc2ncc([N+](=O)[O-])cc2Br)[nH][nH]1 ZINC000301555161 444179393 /nfs/dbraw/zinc/17/93/93/444179393.db2.gz RXTSHRKQFGTFCP-UHFFFAOYSA-N 0 1 343.141 1.208 20 5 EDBDMN CN(C)c1cc(F)c(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000296538336 444237112 /nfs/dbraw/zinc/23/71/12/444237112.db2.gz DXTJVTVKNSLGSZ-UHFFFAOYSA-N 0 1 348.338 1.727 20 5 EDBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000305729197 444275928 /nfs/dbraw/zinc/27/59/28/444275928.db2.gz KAEXRSZEDIWQLT-QGZVFWFLSA-N 0 1 335.404 1.252 20 5 EDBDMN O=C1CCCN1C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000305753039 444277964 /nfs/dbraw/zinc/27/79/64/444277964.db2.gz UDCOIHGTPWHCBF-INIZCTEOSA-N 0 1 333.388 1.543 20 5 EDBDMN O=C([O-])C[N@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000326453366 444375190 /nfs/dbraw/zinc/37/51/90/444375190.db2.gz UFQOYVPHSNSYQV-UHFFFAOYSA-N 0 1 330.344 1.740 20 5 EDBDMN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000331101907 444394619 /nfs/dbraw/zinc/39/46/19/444394619.db2.gz GLSRKDBPBLIBOG-ZJUUUORDSA-N 0 1 327.331 1.967 20 5 EDBDMN C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298042455 444395062 /nfs/dbraw/zinc/39/50/62/444395062.db2.gz GYDZRDNKVZNYJE-SECBINFHSA-N 0 1 340.767 1.397 20 5 EDBDMN CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298042455 444395068 /nfs/dbraw/zinc/39/50/68/444395068.db2.gz GYDZRDNKVZNYJE-SECBINFHSA-N 0 1 340.767 1.397 20 5 EDBDMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000342577709 444752971 /nfs/dbraw/zinc/75/29/71/444752971.db2.gz XRNQXIXMLWJPRK-ZCFIWIBFSA-N 0 1 345.406 1.685 20 5 EDBDMN Cc1nn(C)c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1[N+](=O)[O-] ZINC000344467734 444994307 /nfs/dbraw/zinc/99/43/07/444994307.db2.gz WEGJVXKTIXFXMV-UHFFFAOYSA-N 0 1 328.292 1.069 20 5 EDBDMN Cn1c(C(=O)N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000330477900 444997801 /nfs/dbraw/zinc/99/78/01/444997801.db2.gz MYBXTKQHTHOCTA-UHFFFAOYSA-N 0 1 336.392 1.118 20 5 EDBDMN CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330713623 445108356 /nfs/dbraw/zinc/10/83/56/445108356.db2.gz RMNMLXZTOVXVBO-TZMCWYRMSA-N 0 1 341.433 1.978 20 5 EDBDMN Cc1nc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000343328363 445200696 /nfs/dbraw/zinc/20/06/96/445200696.db2.gz DEVDEDXLGSZVSR-DTWKUNHWSA-N 0 1 346.347 1.017 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000347349940 445236645 /nfs/dbraw/zinc/23/66/45/445236645.db2.gz IXJUGPOJLUAZGS-QJPTWQEYSA-N 0 1 338.364 1.018 20 5 EDBDMN Cc1nc([C@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CCO2)n[nH]1 ZINC000352047286 445458577 /nfs/dbraw/zinc/45/85/77/445458577.db2.gz KZGNKLFTUWBPDR-CYBMUJFWSA-N 0 1 339.302 1.873 20 5 EDBDMN Cc1nn(CC2=Nc3ccccc3S(=O)(=O)N2)c(C)c1[N+](=O)[O-] ZINC000357174765 445467641 /nfs/dbraw/zinc/46/76/41/445467641.db2.gz NPZRPNZQRJOUFJ-UHFFFAOYSA-N 0 1 335.345 1.430 20 5 EDBDMN Cc1nc([C@@H]2CCCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000357554886 445566209 /nfs/dbraw/zinc/56/62/09/445566209.db2.gz WCJDKOUPFJBXCX-JTQLQIEISA-N 0 1 331.336 1.247 20 5 EDBDMN Cc1ccc(CN(CCO)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000358232149 445613193 /nfs/dbraw/zinc/61/31/93/445613193.db2.gz YSTPMCDYWSFLRU-UHFFFAOYSA-N 0 1 336.348 1.977 20 5 EDBDMN CCc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000360149219 445595900 /nfs/dbraw/zinc/59/59/00/445595900.db2.gz MWCHPOKHIVOMNE-UHFFFAOYSA-N 0 1 329.309 1.763 20 5 EDBDMN COc1ccc(OCCSc2nc(N)cc(N)n2)c([N+](=O)[O-])c1 ZINC000360278752 445672856 /nfs/dbraw/zinc/67/28/56/445672856.db2.gz LLFUMSKURXXNDU-UHFFFAOYSA-N 0 1 337.361 1.729 20 5 EDBDMN CCCc1nc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2)no1 ZINC000363235716 445734943 /nfs/dbraw/zinc/73/49/43/445734943.db2.gz AXSHCRVTIMYGGT-MBNYWOFBSA-N 0 1 330.344 1.893 20 5 EDBDMN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000363329251 445768390 /nfs/dbraw/zinc/76/83/90/445768390.db2.gz CNVUAVQBDOMFCD-VQISRLSMSA-N 0 1 335.360 1.064 20 5 EDBDMN CN1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405750 445790673 /nfs/dbraw/zinc/79/06/73/445790673.db2.gz UBEIOSPGSCDIFZ-QWRGUYRKSA-N 0 1 345.446 1.904 20 5 EDBDMN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356458627 445801828 /nfs/dbraw/zinc/80/18/28/445801828.db2.gz JFODSOCVQURBCH-LBPRGKRZSA-N 0 1 341.323 1.836 20 5 EDBDMN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000356636103 445901091 /nfs/dbraw/zinc/90/10/91/445901091.db2.gz UECWJJKZXKDGGR-CYBMUJFWSA-N 0 1 332.360 1.956 20 5 EDBDMN Cc1nnc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000356767041 445997862 /nfs/dbraw/zinc/99/78/62/445997862.db2.gz QWYDVOMOPYRMGX-UHFFFAOYSA-N 0 1 332.345 1.604 20 5 EDBDMN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080809 /nfs/dbraw/zinc/08/08/09/446080809.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 0 1 348.447 1.432 20 5 EDBDMN CCO[C@H]1COCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000362028986 446166303 /nfs/dbraw/zinc/16/63/03/446166303.db2.gz RJOSYQOXYBFCFL-ZFWWWQNUSA-N 0 1 337.376 1.625 20 5 EDBDMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000362028985 446166379 /nfs/dbraw/zinc/16/63/79/446166379.db2.gz RJOSYQOXYBFCFL-UKRRQHHQSA-N 0 1 337.376 1.625 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370447858 446283085 /nfs/dbraw/zinc/28/30/85/446283085.db2.gz RELSRGVHEHEGJU-JTQLQIEISA-N 0 1 331.332 1.741 20 5 EDBDMN Cc1cc([C@H]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000370735266 446408358 /nfs/dbraw/zinc/40/83/58/446408358.db2.gz RNFREMVZLQSCSL-LBPRGKRZSA-N 0 1 347.379 1.412 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000376596103 446597322 /nfs/dbraw/zinc/59/73/22/446597322.db2.gz BDQIARLEJVQBRN-HNNXBMFYSA-N 0 1 337.376 1.329 20 5 EDBDMN CN1CCC2(CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368176919 446686433 /nfs/dbraw/zinc/68/64/33/446686433.db2.gz CXGBGBVHASQMDL-UHFFFAOYSA-N 0 1 339.417 1.844 20 5 EDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000619252557 450434780 /nfs/dbraw/zinc/43/47/80/450434780.db2.gz DBDMGNQJYJWGHH-UHFFFAOYSA-N 0 1 331.267 1.505 20 5 EDBDMN Cn1ccnc1-c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 ZINC000435713135 446709256 /nfs/dbraw/zinc/70/92/56/446709256.db2.gz IYVNMAAHHVKFJJ-UHFFFAOYSA-N 0 1 330.279 2.110 20 5 EDBDMN CC[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000420725082 446773706 /nfs/dbraw/zinc/77/37/06/446773706.db2.gz LRDBXPOEIWGCIX-NXEZZACHSA-N 0 1 332.353 1.970 20 5 EDBDMN O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454280952 446833115 /nfs/dbraw/zinc/83/31/15/446833115.db2.gz UYISSUGGQZXBRW-GFCCVEGCSA-N 0 1 340.355 1.702 20 5 EDBDMN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000375553958 446888947 /nfs/dbraw/zinc/88/89/47/446888947.db2.gz PXPPPEDJCFHVBE-FZKCQIBNSA-N 0 1 333.388 1.182 20 5 EDBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425057524 447006354 /nfs/dbraw/zinc/00/63/54/447006354.db2.gz AYCIZHJICDIAMC-LBPRGKRZSA-N 0 1 344.375 1.921 20 5 EDBDMN O=[N+]([O-])c1c(N2CCN([C@H]3CCC[C@H]3O)CC2)nc2sccn21 ZINC000375771816 447037257 /nfs/dbraw/zinc/03/72/57/447037257.db2.gz KWHFDSGPRYACAV-WDEREUQCSA-N 0 1 337.405 1.339 20 5 EDBDMN Cc1cc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425215245 447066650 /nfs/dbraw/zinc/06/66/50/447066650.db2.gz MMLLVZSPTNEBJD-SNVBAGLBSA-N 0 1 337.361 1.200 20 5 EDBDMN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000368727604 447069666 /nfs/dbraw/zinc/06/96/66/447069666.db2.gz CYZLJNZDRQOGNX-QJPTWQEYSA-N 0 1 327.381 1.557 20 5 EDBDMN CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443303668 447027952 /nfs/dbraw/zinc/02/79/52/447027952.db2.gz SFCHSEHJBKAAGJ-ZANVPECISA-N 0 1 334.369 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EDBDMN C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597695083 450203339 /nfs/dbraw/zinc/20/33/39/450203339.db2.gz PWASCSRSMLGOHR-KBPBESRZSA-N 0 1 335.360 1.236 20 5 EDBDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424494 450295933 /nfs/dbraw/zinc/29/59/33/450295933.db2.gz YIGQXEOWRYITJD-OAHLLOKOSA-N 0 1 349.435 1.507 20 5 EDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1 ZINC000603552468 450323891 /nfs/dbraw/zinc/32/38/91/450323891.db2.gz IJOXFSFTZOGJGW-UHFFFAOYSA-N 0 1 345.340 1.976 20 5 EDBDMN C[C@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000524790481 486871933 /nfs/dbraw/zinc/87/19/33/486871933.db2.gz UZWPFSMEUFAJKJ-JTQLQIEISA-N 0 1 331.369 1.354 20 5 EDBDMN O=C(NCc1cccnc1OCC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000159864355 534685841 /nfs/dbraw/zinc/68/58/41/534685841.db2.gz OHQNJNKNJZUZRF-UHFFFAOYSA-N 0 1 345.237 1.584 20 5 EDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000174869777 534889053 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Cn1c(C(=O)NCc2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000726774875 578358710 /nfs/dbraw/zinc/35/87/10/578358710.db2.gz JKSYVCWBJGCMBW-UHFFFAOYSA-N 0 1 326.316 1.648 20 5 EDBDMN Cn1c(C(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000726774875 578358711 /nfs/dbraw/zinc/35/87/11/578358711.db2.gz JKSYVCWBJGCMBW-UHFFFAOYSA-N 0 1 326.316 1.648 20 5 EDBDMN CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000748655084 578498085 /nfs/dbraw/zinc/49/80/85/578498085.db2.gz FBEVBBHINFVSQN-ZDUSSCGKSA-N 0 1 348.352 1.744 20 5 EDBDMN CC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000729921194 578599756 /nfs/dbraw/zinc/59/97/56/578599756.db2.gz RUMYBIHTMPZPMA-QWHCGFSZSA-N 0 1 333.392 1.524 20 5 EDBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(C4CCC4)CC3)n2)cc1 ZINC000733296321 578757994 /nfs/dbraw/zinc/75/79/94/578757994.db2.gz LEAIAFDKEOUKLM-UHFFFAOYSA-N 0 1 342.403 1.981 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C)[C@@H](C)C1 ZINC000761074623 580046675 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1.504 20 5 EDBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000779227934 580481579 /nfs/dbraw/zinc/48/15/79/580481579.db2.gz CDIPCQHANHYGLS-UHFFFAOYSA-N 0 1 328.231 1.980 20 5 EDBDMN Cc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000783324765 580598214 /nfs/dbraw/zinc/59/82/14/580598214.db2.gz XGJPNTWUAYDNBK-UHFFFAOYSA-N 0 1 337.723 1.535 20 5 EDBDMN CCc1cc(CNCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000788961630 580733666 /nfs/dbraw/zinc/73/36/66/580733666.db2.gz CHNNXNAFRGTXNX-UHFFFAOYSA-N 0 1 348.359 1.722 20 5 EDBDMN COc1cc(C(=O)Nc2c[nH]nn2)c([N+](=O)[O-])cc1OC(F)F ZINC000790063945 580761224 /nfs/dbraw/zinc/76/12/24/580761224.db2.gz RBEVNORCTNRWRE-UHFFFAOYSA-N 0 1 329.219 1.575 20 5 EDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCc2nnc[nH]2)c1 ZINC000795878753 580940177 /nfs/dbraw/zinc/94/01/77/580940177.db2.gz YLXWKJBGXRHDTR-UHFFFAOYSA-N 0 1 349.731 1.026 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)OCCCN1CCO[C@@H](C)C1 ZINC000893385165 590822797 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349.431 1.773 20 5 EDBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000839694807 593364763 /nfs/dbraw/zinc/36/47/63/593364763.db2.gz RRBCJNWNGFRIDE-GRYCIOLGSA-N 0 1 326.736 1.726 20 5 EDBDMN CC(C)N(C[C@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840187630 593367782 /nfs/dbraw/zinc/36/77/82/593367782.db2.gz VWTPMGODFCHACC-CYBMUJFWSA-N 0 1 331.376 1.891 20 5 EDBDMN CN1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000813740045 593552421 /nfs/dbraw/zinc/55/24/21/593552421.db2.gz XNJOCEMCWJAAOU-SKDRFNHKSA-N 0 1 345.808 1.573 20 5 EDBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1n[nH]c(=O)o1 ZINC000819930018 593777669 /nfs/dbraw/zinc/77/76/69/593777669.db2.gz JMPLHOJSUCLXNU-UHFFFAOYSA-N 0 1 342.695 1.760 20 5 EDBDMN CC(=O)N[C@@H]1c2ccccc2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000821473507 593842616 /nfs/dbraw/zinc/84/26/16/593842616.db2.gz XVLDCXNULPOHLI-DZGCQCFKSA-N 0 1 329.312 1.882 20 5 EDBDMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 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C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594783864 449693341 /nfs/dbraw/zinc/69/33/41/449693341.db2.gz PAYKVPXGNZGRNA-NSHDSACASA-N 0 1 328.394 1.000 20 5 EDBDMN CC1(C)C[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 ZINC000594782649 449693737 /nfs/dbraw/zinc/69/37/37/449693737.db2.gz HACRABWIYOEDCG-JTQLQIEISA-N 0 1 329.378 1.473 20 5 EDBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000612532622 449756282 /nfs/dbraw/zinc/75/62/82/449756282.db2.gz BWAZVCQNNBUDKM-CQSZACIVSA-N 0 1 349.387 1.627 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597081517 449802716 /nfs/dbraw/zinc/80/27/16/449802716.db2.gz BMRRBJRVAAVDLG-SWLSCSKDSA-N 0 1 340.401 1.526 20 5 EDBDMN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599236040 449820362 /nfs/dbraw/zinc/82/03/62/449820362.db2.gz NEXBXDOVPSNNOA-BDAKNGLRSA-N 0 1 334.423 1.281 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2COC3(CCC3)C2)cc1 ZINC000595032591 449845907 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Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000603142724 450090173 /nfs/dbraw/zinc/09/01/73/450090173.db2.gz NRKYGHZZZOKBHV-ZDUSSCGKSA-N 0 1 337.424 1.679 20 5 EDBDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610108944 450142245 /nfs/dbraw/zinc/14/22/45/450142245.db2.gz QKWQOFXKOVLFJK-UHFFFAOYSA-N 0 1 332.316 1.984 20 5 EDBDMN Cc1ccc(S(=O)(=O)NCCN2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610409251 450210096 /nfs/dbraw/zinc/21/00/96/450210096.db2.gz DVMXVZSOHWEJCZ-GFCCVEGCSA-N 0 1 327.406 1.523 20 5 EDBDMN Cc1c(NC(=O)CC[N@H+](C)Cc2n[n-]c(=O)o2)cccc1[N+](=O)[O-] ZINC000595547538 450223727 /nfs/dbraw/zinc/22/37/27/450223727.db2.gz QKDMKXYAIBFTOO-UHFFFAOYSA-N 0 1 335.320 1.452 20 5 EDBDMN C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000597679720 450191316 /nfs/dbraw/zinc/19/13/16/450191316.db2.gz SAXAWNWJONLDQN-LBPRGKRZSA-N 0 1 349.387 1.626 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000619777372 450332253 /nfs/dbraw/zinc/33/22/53/450332253.db2.gz PFYLLZKBPZYKMK-JTQLQIEISA-N 0 1 336.348 1.261 20 5 EDBDMN CCOc1ccc([C@@H](C)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000183360216 528592781 /nfs/dbraw/zinc/59/27/81/528592781.db2.gz AAQGBWIQLCQFJH-GFCCVEGCSA-N 0 1 337.376 1.503 20 5 EDBDMN CCOC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000270698206 535467845 /nfs/dbraw/zinc/46/78/45/535467845.db2.gz BKBJQOVJTUIXOH-NSHDSACASA-N 0 1 332.316 1.395 20 5 EDBDMN COc1cc(C(=O)Nc2nc(SCCO)n[nH]2)ccc1[N+](=O)[O-] ZINC000270863851 536539395 /nfs/dbraw/zinc/53/93/95/536539395.db2.gz MIOHQXJRZDBREH-UHFFFAOYSA-N 0 1 339.333 1.058 20 5 EDBDMN CC(C)(C)S(=O)(=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000743252203 579474129 /nfs/dbraw/zinc/47/41/29/579474129.db2.gz QAGRVSATVGOQBB-ZDUSSCGKSA-N 0 1 330.406 1.431 20 5 EDBDMN CC(C)[N@H+](CCC(=O)[O-])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000736468890 578991448 /nfs/dbraw/zinc/99/14/48/578991448.db2.gz ZTCAVEYQYQDHDL-UHFFFAOYSA-N 0 1 335.158 1.696 20 5 EDBDMN CC(C)[N@@H+](CCC(=O)[O-])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000736468890 578991449 /nfs/dbraw/zinc/99/14/49/578991449.db2.gz ZTCAVEYQYQDHDL-UHFFFAOYSA-N 0 1 335.158 1.696 20 5 EDBDMN C[C@H](C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1)C(=O)[O-] ZINC000736583504 579002991 /nfs/dbraw/zinc/00/29/91/579002991.db2.gz SQBYHHYFIMPNEE-LLVKDONJSA-N 0 1 345.359 1.996 20 5 EDBDMN C[C@H](O)C[N@H+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000736678971 579011802 /nfs/dbraw/zinc/01/18/02/579011802.db2.gz ZWWRYKZLYZPRFD-VFQZCJPISA-N 0 1 349.387 1.584 20 5 EDBDMN C[C@@H](O)C[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736678885 579011822 /nfs/dbraw/zinc/01/18/22/579011822.db2.gz YKCZMZLINJROPO-OGOUPESXSA-N 0 1 335.360 1.195 20 5 EDBDMN CC[C@H](CO)N1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752619471 579862471 /nfs/dbraw/zinc/86/24/71/579862471.db2.gz RROYKRCIGFHAGG-WCRPCQDQSA-N 0 1 347.415 1.913 20 5 EDBDMN Cc1cc(C[C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n[nH]1 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O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1)C(F)(F)F ZINC000290328114 444267982 /nfs/dbraw/zinc/26/79/82/444267982.db2.gz JGENMIYILPXIDR-MRVPVSSYSA-N 0 1 349.265 1.719 20 5 EDBDMN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297635307 444311860 /nfs/dbraw/zinc/31/18/60/444311860.db2.gz XIYQCRUEBPLPKG-DGCLKSJQSA-N 0 1 341.433 1.775 20 5 EDBDMN C[C@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581629998 322201307 /nfs/dbraw/zinc/20/13/07/322201307.db2.gz USCTWGPIGIDSAY-NOZJJQNGSA-N 0 1 335.341 1.790 20 5 EDBDMN CS[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000342539596 444736491 /nfs/dbraw/zinc/73/64/91/444736491.db2.gz GEPXMJDMJFJEFZ-CABCVRRESA-N 0 1 325.434 1.951 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000345075395 445160663 /nfs/dbraw/zinc/16/06/63/445160663.db2.gz NTDMJECEFXHENP-BXKDBHETSA-N 0 1 338.364 1.540 20 5 EDBDMN Cn1nccc1[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000343460137 445227050 /nfs/dbraw/zinc/22/70/50/445227050.db2.gz JYZAAQWCPHBPPM-CJNGLKHVSA-N 0 1 329.360 1.390 20 5 EDBDMN COC(=O)c1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343495604 445233900 /nfs/dbraw/zinc/23/39/00/445233900.db2.gz GUUNTTJNSLHBDP-YGRLFVJLSA-N 0 1 335.360 1.594 20 5 EDBDMN COCCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000362510877 445418007 /nfs/dbraw/zinc/41/80/07/445418007.db2.gz MLJQUGSTPQOUPW-GJZGRUSLSA-N 0 1 328.340 1.644 20 5 EDBDMN COc1cc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351998589 445427831 /nfs/dbraw/zinc/42/78/31/445427831.db2.gz WLDZKYCVOSKMDH-UKRRQHHQSA-N 0 1 335.404 1.898 20 5 EDBDMN COc1ccc(CNc2cc(-n3cccn3)nc(N)n2)cc1[N+](=O)[O-] ZINC000357266466 445516205 /nfs/dbraw/zinc/51/62/05/445516205.db2.gz HZYIYJYIHVRPOU-UHFFFAOYSA-N 0 1 341.331 1.773 20 5 EDBDMN CN(C)[C@@H]1CCC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675431 445493759 /nfs/dbraw/zinc/49/37/59/445493759.db2.gz SAZZVYGBGZLTBR-DTWKUNHWSA-N 0 1 333.435 1.954 20 5 EDBDMN Cc1[nH]ncc1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000358561731 445652159 /nfs/dbraw/zinc/65/21/59/445652159.db2.gz WLHSREQZMBWJCA-UHFFFAOYSA-N 0 1 331.332 1.731 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000353610278 445675554 /nfs/dbraw/zinc/67/55/54/445675554.db2.gz WBDXALJZOVQBFO-MNOVXSKESA-N 0 1 336.373 1.536 20 5 EDBDMN CC(C)n1ccnc1CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363097055 445676912 /nfs/dbraw/zinc/67/69/12/445676912.db2.gz KZZWUVVQFXTGGM-KBPBESRZSA-N 0 1 335.408 1.164 20 5 EDBDMN Cc1cnn(C[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCO2)c1 ZINC000353646659 445691000 /nfs/dbraw/zinc/69/10/00/445691000.db2.gz QNLROAHCFNDXFP-OAHLLOKOSA-N 0 1 332.360 1.706 20 5 EDBDMN Cn1c(=O)oc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc21 ZINC000356501769 445826245 /nfs/dbraw/zinc/82/62/45/445826245.db2.gz BPTGSSBVGBSUSD-UHFFFAOYSA-N 0 1 329.268 1.998 20 5 EDBDMN Cc1c(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000363492312 445829869 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337.376 1.602 20 5 EDBDMN CCc1ccc(S(=O)(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000592372243 448810486 /nfs/dbraw/zinc/81/04/86/448810486.db2.gz PMSQPQOHTYGAMZ-UHFFFAOYSA-N 0 1 327.406 1.530 20 5 EDBDMN CS[C@@H](CO)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430865 448833126 /nfs/dbraw/zinc/83/31/26/448833126.db2.gz BJVGQLSOVYIDFJ-MFKMUULPSA-N 0 1 348.446 1.071 20 5 EDBDMN C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000579603125 448834009 /nfs/dbraw/zinc/83/40/09/448834009.db2.gz HRBCOZQVQCHSGF-FFSVYQOJSA-N 0 1 338.360 1.377 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000589930481 449085038 /nfs/dbraw/zinc/08/50/38/449085038.db2.gz YCIPFMGRPDYPTR-JSGCOSHPSA-N 0 1 339.417 1.482 20 5 EDBDMN CCc1[nH]nc(C(=O)N(C)[C@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000597858660 449126523 /nfs/dbraw/zinc/12/65/23/449126523.db2.gz UWAFKGQVTLAAGV-LBPRGKRZSA-N 0 1 332.360 1.556 20 5 EDBDMN CN(Cc1cnc[nH]1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 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CCn1c(CCc2ccccc2)nnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369946 595087353 /nfs/dbraw/zinc/08/73/53/595087353.db2.gz NHIYLVHQSWLZBE-ZIAGYGMSSA-N 0 1 344.371 1.792 20 5 EDBDMN O=C(COC(=O)c1[nH]nc2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000102816943 595118232 /nfs/dbraw/zinc/11/82/32/595118232.db2.gz YHSQXWMUVGLTMB-UHFFFAOYSA-N 0 1 344.327 1.992 20 5 EDBDMN O=C1O[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000844306890 595320681 /nfs/dbraw/zinc/32/06/81/595320681.db2.gz LXLUEEYBNULUJO-SMDDNHRTSA-N 0 1 347.375 1.459 20 5 EDBDMN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847264069 595381767 /nfs/dbraw/zinc/38/17/67/595381767.db2.gz QWIDXAHJADLUJE-FRRDWIJNSA-N 0 1 335.360 1.116 20 5 EDBDMN CN(C)c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000105779112 595448606 /nfs/dbraw/zinc/44/86/06/595448606.db2.gz ICYSXOLXEGCJRO-UHFFFAOYSA-N 0 1 340.336 1.996 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1COc2ccccc2C1 ZINC000849368585 595513726 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EDBDMN COCc1nnc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])[nH]1 ZINC000855517369 595744118 /nfs/dbraw/zinc/74/41/18/595744118.db2.gz RPSNJPYBESFBQE-UHFFFAOYSA-N 0 1 339.739 1.751 20 5 EDBDMN C[C@]12COC[C@@H]1CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565377 595806219 /nfs/dbraw/zinc/80/62/19/595806219.db2.gz DYVFYQRKSXIWJF-BBRMVZONSA-N 0 1 329.360 1.779 20 5 EDBDMN O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851465853 595816684 /nfs/dbraw/zinc/81/66/84/595816684.db2.gz DXTPPHBGWYZCAO-ZDUSSCGKSA-N 0 1 331.332 1.004 20 5 EDBDMN O=C(NCc1ccc(N2CCCNC2=O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000856323143 595952977 /nfs/dbraw/zinc/95/29/77/595952977.db2.gz QWSBTVSKJAGVKD-UHFFFAOYSA-N 0 1 344.331 1.168 20 5 EDBDMN Cc1cccc(F)c1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859030231 595955303 /nfs/dbraw/zinc/95/53/03/595955303.db2.gz BHHGEJJIPVOQQV-UHFFFAOYSA-N 0 1 328.325 1.254 20 5 EDBDMN O=C(NCCN1CCC(O)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861922662 596150616 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Cn1cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656872 449734154 /nfs/dbraw/zinc/73/41/54/449734154.db2.gz ZJJISNFXEBAAIQ-INIZCTEOSA-N 0 1 329.404 1.687 20 5 EDBDMN Cc1csc([C@@H](C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])n1 ZINC000594773576 449687260 /nfs/dbraw/zinc/68/72/60/449687260.db2.gz SITNKCTXVGGFNY-QMMMGPOBSA-N 0 1 342.402 1.837 20 5 EDBDMN CO[C@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C12CCC2 ZINC000594783926 449694172 /nfs/dbraw/zinc/69/41/72/449694172.db2.gz ZJHQGKAHSPJAIS-MNOVXSKESA-N 0 1 327.362 1.226 20 5 EDBDMN O=[N+]([O-])c1ccccc1CCNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000601109455 449694780 /nfs/dbraw/zinc/69/47/80/449694780.db2.gz UJYXGGPIFVKPJA-ZDUSSCGKSA-N 0 1 331.376 1.555 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000599107807 449740285 /nfs/dbraw/zinc/74/02/85/449740285.db2.gz VSDCVRMOEXUKOO-CYBMUJFWSA-N 0 1 341.433 1.830 20 5 EDBDMN C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599228399 449815399 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000573801830 448717286 /nfs/dbraw/zinc/71/72/86/448717286.db2.gz OUUDNQPKKXIKCX-ZWNOBZJWSA-N 0 1 335.360 1.884 20 5 EDBDMN Cc1cc(C(=O)NCc2nc([C@@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000592355975 448803637 /nfs/dbraw/zinc/80/36/37/448803637.db2.gz AWEPGYDPIFFRRP-NSHDSACASA-N 0 1 331.332 1.641 20 5 EDBDMN CC1(C)CNCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592373012 448810400 /nfs/dbraw/zinc/81/04/00/448810400.db2.gz NWYDWQXSTZNIFO-UHFFFAOYSA-N 0 1 333.797 1.621 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cnc[nH]1 ZINC000569120669 448966681 /nfs/dbraw/zinc/96/66/81/448966681.db2.gz MMYMAWRKVSJVHP-UHFFFAOYSA-N 0 1 326.334 1.147 20 5 EDBDMN CC(C)(C)N1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000592665754 448940667 /nfs/dbraw/zinc/94/06/67/448940667.db2.gz SEOVVGBYGMHSEI-LBPRGKRZSA-N 0 1 345.359 1.600 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000575061593 449025519 /nfs/dbraw/zinc/02/55/19/449025519.db2.gz JMVKTZXBJGJOFG-AWEZNQCLSA-N 0 1 340.405 1.619 20 5 EDBDMN C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CCO ZINC000595706086 449126142 /nfs/dbraw/zinc/12/61/42/449126142.db2.gz XJRHGBFZEDGQBT-BBRMVZONSA-N 0 1 347.415 1.967 20 5 EDBDMN Nc1c(C(=O)[O-])[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000592982770 449093995 /nfs/dbraw/zinc/09/39/95/449093995.db2.gz ZSXCSPNLPQQYMT-UHFFFAOYSA-N 0 1 337.361 1.975 20 5 EDBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000592994532 449096390 /nfs/dbraw/zinc/09/63/90/449096390.db2.gz BPKGAGPLHLLBMT-UHFFFAOYSA-N 0 1 334.376 1.478 20 5 EDBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 ZINC000599916617 449107558 /nfs/dbraw/zinc/10/75/58/449107558.db2.gz KPHBTDPJZWZMNK-CQSZACIVSA-N 0 1 336.392 1.205 20 5 EDBDMN CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611092308 449167071 /nfs/dbraw/zinc/16/70/71/449167071.db2.gz OVEYYMUKKVIKFQ-LBPRGKRZSA-N 0 1 336.392 1.568 20 5 EDBDMN CCOc1cc(C(=O)Nc2n[nH]c3ncnn23)c([N+](=O)[O-])cc1OC ZINC000590379003 449139413 /nfs/dbraw/zinc/13/94/13/449139413.db2.gz IPQYOWIUKLQLHT-UHFFFAOYSA-N 0 1 347.291 1.020 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)C2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590149 449205730 /nfs/dbraw/zinc/20/57/30/449205730.db2.gz TZPFXOLFSXQXCO-UHFFFAOYSA-N 0 1 345.396 1.757 20 5 EDBDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593288353 449207432 /nfs/dbraw/zinc/20/74/32/449207432.db2.gz ITLCSGFBLPATEG-GFCCVEGCSA-N 0 1 339.348 1.727 20 5 EDBDMN CN(CC1CN(C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598161215 449266411 /nfs/dbraw/zinc/26/64/11/449266411.db2.gz CQWAZSHRDWNGKO-UHFFFAOYSA-N 0 1 342.193 1.991 20 5 EDBDMN CC(=O)c1cc(N2CCN(Cc3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000593507502 449315301 /nfs/dbraw/zinc/31/53/01/449315301.db2.gz JQQYDBSVMUINBU-UHFFFAOYSA-N 0 1 330.348 1.238 20 5 EDBDMN O=c1[nH]ccc(NCCN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596079037 449352084 /nfs/dbraw/zinc/35/20/84/449352084.db2.gz ZSQPCQNWPPWJMM-UHFFFAOYSA-N 0 1 343.387 1.930 20 5 EDBDMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542041 449336411 /nfs/dbraw/zinc/33/64/11/449336411.db2.gz DNDOCDUUWFHQDN-VXGBXAGGSA-N 0 1 342.421 1.531 20 5 EDBDMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545788 449338537 /nfs/dbraw/zinc/33/85/37/449338537.db2.gz VVUAJPJMFOYPKA-GFCCVEGCSA-N 0 1 342.421 1.533 20 5 EDBDMN Cc1ccc(S(=O)(=O)NCC2=CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598606845 449489787 /nfs/dbraw/zinc/48/97/87/449489787.db2.gz KGWBCEZJGRIGFD-UHFFFAOYSA-N 0 1 339.417 1.752 20 5 EDBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594482713 449547126 /nfs/dbraw/zinc/54/71/26/449547126.db2.gz CTFRSEYAWDSGIN-STQMWFEESA-N 0 1 339.417 1.890 20 5 EDBDMN COCc1nc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000596454129 449510948 /nfs/dbraw/zinc/51/09/48/449510948.db2.gz LYFURAMWHAENFD-JTQLQIEISA-N 0 1 348.363 1.728 20 5 EDBDMN COCc1nnc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000596454129 449510951 /nfs/dbraw/zinc/51/09/51/449510951.db2.gz LYFURAMWHAENFD-JTQLQIEISA-N 0 1 348.363 1.728 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)c1 ZINC000600867603 449576176 /nfs/dbraw/zinc/57/61/76/449576176.db2.gz BMKTZVDNWGPUCT-GFCCVEGCSA-N 0 1 335.360 1.524 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2n[nH]c([C@@H]3CCCO3)n2)n1 ZINC000594590102 449586636 /nfs/dbraw/zinc/58/66/36/449586636.db2.gz SVUCOCRWEBMPOJ-JTQLQIEISA-N 0 1 348.319 1.358 20 5 EDBDMN COc1cc2c(cc1OC)CCN(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602453947 449600442 /nfs/dbraw/zinc/60/04/42/449600442.db2.gz LFUIQKTXRVMELF-UHFFFAOYSA-N 0 1 346.387 1.946 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNC[C@H]2C(C)C)c1C ZINC000599100249 449732077 /nfs/dbraw/zinc/73/20/77/449732077.db2.gz HDDIQLIDPABBSN-AWEZNQCLSA-N 0 1 341.433 1.830 20 5 EDBDMN CC(C)[C@@H](CO)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000594778861 449690882 /nfs/dbraw/zinc/69/08/82/449690882.db2.gz BTNULKCITVUJOG-YPMHNXCESA-N 0 1 345.421 1.557 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000594779891 449691557 /nfs/dbraw/zinc/69/15/57/449691557.db2.gz XYIRCSYTJHDLAQ-YPMHNXCESA-N 0 1 341.389 1.065 20 5 EDBDMN C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599228400 449815451 /nfs/dbraw/zinc/81/54/51/449815451.db2.gz BZZWOYZRIUYBFF-NSHDSACASA-N 0 1 338.389 1.800 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000602804502 449822717 /nfs/dbraw/zinc/82/27/17/449822717.db2.gz HLWRXPZKBVOMEV-QKFKETGDSA-N 0 1 336.417 1.809 20 5 EDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000599332596 449899428 /nfs/dbraw/zinc/89/94/28/449899428.db2.gz SZEUIGASEAVNKP-DCAQKATOSA-N 0 1 330.410 1.821 20 5 EDBDMN COC(=O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602887621 449894508 /nfs/dbraw/zinc/89/45/08/449894508.db2.gz IRCNSWSGJKHFTR-MCIONIFRSA-N 0 1 336.392 1.882 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1CN(C)C1 ZINC000595153511 449905752 /nfs/dbraw/zinc/90/57/52/449905752.db2.gz WEEVPVCZRDKSGN-UHFFFAOYSA-N 0 1 334.376 1.116 20 5 EDBDMN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000609845773 450104077 /nfs/dbraw/zinc/10/40/77/450104077.db2.gz OLDCWBAQUIYJMJ-UHFFFAOYSA-N 0 1 336.392 1.642 20 5 EDBDMN COc1ccc(C)cc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610260527 450173097 /nfs/dbraw/zinc/17/30/97/450173097.db2.gz UPPSYESSHIEWHU-UHFFFAOYSA-N 0 1 337.357 1.785 20 5 EDBDMN Cc1cc(C(=O)N2CCN(Cc3onc(C)c3[N+](=O)[O-])[C@H](C)C2)n[nH]1 ZINC000595529523 450210642 /nfs/dbraw/zinc/21/06/42/450210642.db2.gz JONVHEXKEWQELD-SNVBAGLBSA-N 0 1 348.363 1.269 20 5 EDBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000610337771 450196053 /nfs/dbraw/zinc/19/60/53/450196053.db2.gz VUDGNVUHOOVIMU-HNNXBMFYSA-N 0 1 338.327 1.556 20 5 EDBDMN O=C(NCc1c[nH]nn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610494639 450244092 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1.911 20 5 EDBDMN CCOc1cc(CN2CCC3(CNC(=O)N3C)CC2)ccc1[N+](=O)[O-] ZINC000425536831 447217076 /nfs/dbraw/zinc/21/70/76/447217076.db2.gz GHVZVKGSZGEBMB-UHFFFAOYSA-N 0 1 348.403 1.983 20 5 EDBDMN C[C@@H](CO)N1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733343 447257372 /nfs/dbraw/zinc/25/73/72/447257372.db2.gz WWEQZUVDAZVMQY-NSHDSACASA-N 0 1 341.795 1.777 20 5 EDBDMN COC(=O)CC1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000459390224 447650050 /nfs/dbraw/zinc/65/00/50/447650050.db2.gz PFNIUCZKZFZMIN-UHFFFAOYSA-N 0 1 347.371 1.559 20 5 EDBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](CO)O1 ZINC000451277391 447722833 /nfs/dbraw/zinc/72/28/33/447722833.db2.gz RPDIKTWTDAXFNJ-GXFFZTMASA-N 0 1 346.343 1.207 20 5 EDBDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496562146 447820557 /nfs/dbraw/zinc/82/05/57/447820557.db2.gz BDIJZRCGPTWHFK-DDHJBXDOSA-N 0 1 327.381 1.461 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000452504951 447821341 /nfs/dbraw/zinc/82/13/41/447821341.db2.gz RTRAMGVFGUACLP-MLGOLLRUSA-N 0 1 348.334 1.567 20 5 EDBDMN CNc1nccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1[N+](=O)[O-] ZINC000553466846 447994122 /nfs/dbraw/zinc/99/41/22/447994122.db2.gz ZFOYBFABIFZBIU-UHFFFAOYSA-N 0 1 339.315 2.069 20 5 EDBDMN O=C([O-])C[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000532711557 448301437 /nfs/dbraw/zinc/30/14/37/448301437.db2.gz GOIYRQRVNGWOBR-DOMZBBRYSA-N 0 1 347.371 1.887 20 5 EDBDMN O=C([O-])[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000566218986 448417294 /nfs/dbraw/zinc/41/72/94/448417294.db2.gz BQLWUHUFOWEMJS-UONOGXRCSA-N 0 1 330.344 1.592 20 5 EDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000591469631 448373688 /nfs/dbraw/zinc/37/36/88/448373688.db2.gz JQEIGDLJFYTUBC-LLVKDONJSA-N 0 1 343.405 1.318 20 5 EDBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)(F)F ZINC000591782764 448490050 /nfs/dbraw/zinc/49/00/50/448490050.db2.gz SLZBHKLYZHQDJM-FWOIEVBISA-N 0 1 332.238 1.513 20 5 EDBDMN O=C([O-])C[N@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000578326295 448518652 /nfs/dbraw/zinc/51/86/52/448518652.db2.gz PDZGHSYSVAGMDZ-UHFFFAOYSA-N 0 1 330.344 1.740 20 5 EDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000540901323 448650833 /nfs/dbraw/zinc/65/08/33/448650833.db2.gz PLYHHMXWOJQNTQ-CABCVRRESA-N 0 1 328.372 1.761 20 5 EDBDMN CCc1ccc(S(=O)(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000592053934 448650923 /nfs/dbraw/zinc/65/09/23/448650923.db2.gz LQCHXURAAKXRMI-DOMZBBRYSA-N 0 1 339.417 1.482 20 5 EDBDMN [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1c1ccccc1 ZINC000521872930 449021719 /nfs/dbraw/zinc/02/17/19/449021719.db2.gz OXKMHNSYQVPJNG-UONOGXRCSA-N 0 1 328.328 1.262 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](CC(N)=O)C2)c1 ZINC000589503257 449026641 /nfs/dbraw/zinc/02/66/41/449026641.db2.gz LVLHHLTXEPDFSR-NSHDSACASA-N 0 1 335.360 1.469 20 5 EDBDMN CN(C(=O)CN1CC[C@H](Cn2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595606576 449075444 /nfs/dbraw/zinc/07/54/44/449075444.db2.gz IMTSHNRYEPZWKB-ZDUSSCGKSA-N 0 1 344.375 1.171 20 5 EDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595609277 449078362 /nfs/dbraw/zinc/07/83/62/449078362.db2.gz XQMAKJPKQIJKAX-CHWSQXEVSA-N 0 1 344.375 1.535 20 5 EDBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597858513 449126789 /nfs/dbraw/zinc/12/67/89/449126789.db2.gz MHKDBQMRUPUNFY-JTQLQIEISA-N 0 1 335.360 1.926 20 5 EDBDMN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593617190 449111383 /nfs/dbraw/zinc/11/13/83/449111383.db2.gz YGFPEPOUAQDORD-UHFFFAOYSA-N 0 1 335.451 1.913 20 5 EDBDMN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593617190 449111386 /nfs/dbraw/zinc/11/13/86/449111386.db2.gz YGFPEPOUAQDORD-UHFFFAOYSA-N 0 1 335.451 1.913 20 5 EDBDMN CCN1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087831 449164856 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334.332 1.349 20 5 EDBDMN CCC[NH+]1CCC([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594744482 449661723 /nfs/dbraw/zinc/66/17/23/449661723.db2.gz LWUUGQALGOBDAY-UHFFFAOYSA-N 0 1 328.394 1.143 20 5 EDBDMN COC(=O)CCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594746033 449663418 /nfs/dbraw/zinc/66/34/18/449663418.db2.gz WGNOPQZPCNGGOL-UHFFFAOYSA-N 0 1 331.350 1.002 20 5 EDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCN1 ZINC000602549895 449667650 /nfs/dbraw/zinc/66/76/50/449667650.db2.gz FHBOVKCMUKBLTI-SNVBAGLBSA-N 0 1 325.390 1.425 20 5 EDBDMN C[C@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000594755083 449669547 /nfs/dbraw/zinc/66/95/47/449669547.db2.gz HYLMZCCPKDMKAF-GFCCVEGCSA-N 0 1 342.421 1.390 20 5 EDBDMN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754015 449669663 /nfs/dbraw/zinc/66/96/63/449669663.db2.gz ONZXUVUESKLXFF-VHSXEESVSA-N 0 1 331.419 1.942 20 5 EDBDMN Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762377 449677079 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COc1cc(S(=O)(=O)Nc2ncccc2F)ccc1[N+](=O)[O-] ZINC000180261840 442568955 /nfs/dbraw/zinc/56/89/55/442568955.db2.gz HSIWRPKQQGSPSD-UHFFFAOYSA-N 0 1 327.293 1.938 20 5 EDBDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000173264873 442635184 /nfs/dbraw/zinc/63/51/84/442635184.db2.gz ZNGUSMPBSWUJEF-NEPJUHHUSA-N 0 1 327.406 1.698 20 5 EDBDMN Cc1c(CC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188721465 442796795 /nfs/dbraw/zinc/79/67/95/442796795.db2.gz CHBNVRKKUPTLDI-ZDUSSCGKSA-N 0 1 349.431 1.749 20 5 EDBDMN Cc1c(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268158806 442876402 /nfs/dbraw/zinc/87/64/02/442876402.db2.gz IVGRSCCPUNINFG-YGRLFVJLSA-N 0 1 346.387 1.441 20 5 EDBDMN CN(C1CCN(C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194430578 442895358 /nfs/dbraw/zinc/89/53/58/442895358.db2.gz VXOGYJNWTNIPMU-UHFFFAOYSA-N 0 1 347.824 1.963 20 5 EDBDMN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268552833 443031763 /nfs/dbraw/zinc/03/17/63/443031763.db2.gz MWCONSUSXFGMQJ-OAHLLOKOSA-N 0 1 343.387 1.524 20 5 EDBDMN CN(CC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000268977731 443164503 /nfs/dbraw/zinc/16/45/03/443164503.db2.gz MTJIVMFJQMUYPI-LBPRGKRZSA-N 0 1 329.360 1.948 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)c1[N+](=O)[O-] ZINC000269052273 443183710 /nfs/dbraw/zinc/18/37/10/443183710.db2.gz OCJBBEDTTTZSME-GFCCVEGCSA-N 0 1 345.359 1.707 20 5 EDBDMN C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299445291 318903150 /nfs/dbraw/zinc/90/31/50/318903150.db2.gz XWLMVQYIOCSGKN-VIFPVBQESA-N 0 1 345.352 1.023 20 5 EDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nnc[nH]2)cc1OC ZINC000266776251 443238076 /nfs/dbraw/zinc/23/80/76/443238076.db2.gz RQQHNHRQGPVHCE-MRVPVSSYSA-N 0 1 335.320 1.611 20 5 EDBDMN CC(C)C(=O)NC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269147499 443213090 /nfs/dbraw/zinc/21/30/90/443213090.db2.gz QCKITIGDIXUFCK-UHFFFAOYSA-N 0 1 335.360 1.677 20 5 EDBDMN CC(C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCOCC1 ZINC000269155915 443215930 /nfs/dbraw/zinc/21/59/30/443215930.db2.gz UYBNXQLVQUIDMJ-OAHLLOKOSA-N 0 1 337.376 1.387 20 5 EDBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nn[nH]c1C(N)=O ZINC000410857718 319161510 /nfs/dbraw/zinc/16/15/10/319161510.db2.gz ITAWDEAPFZXGTD-VIFPVBQESA-N 0 1 332.320 1.019 20 5 EDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264413096 443282791 /nfs/dbraw/zinc/28/27/91/443282791.db2.gz IFVPSLCHHNNUMX-HSBSLETESA-N 0 1 332.404 1.360 20 5 EDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000272544050 443356671 /nfs/dbraw/zinc/35/66/71/443356671.db2.gz OIBHTQBJIXRYLL-ABAIWWIYSA-N 0 1 335.360 1.093 20 5 EDBDMN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503569 443358332 /nfs/dbraw/zinc/35/83/32/443358332.db2.gz RDDWDHFELCKVPJ-BBRMVZONSA-N 0 1 335.404 1.753 20 5 EDBDMN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716495 443411668 /nfs/dbraw/zinc/41/16/68/443411668.db2.gz PBNSRHGJCMEYHM-RHSMWYFYSA-N 0 1 338.404 1.749 20 5 EDBDMN C[C@H](NC(=O)NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000264751920 443406612 /nfs/dbraw/zinc/40/66/12/443406612.db2.gz RIERIZADHFBWIX-WFASDCNBSA-N 0 1 335.408 1.201 20 5 EDBDMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279199041 443533441 /nfs/dbraw/zinc/53/34/41/443533441.db2.gz LIYOTJTVDCPTBX-LBPRGKRZSA-N 0 1 348.403 1.502 20 5 EDBDMN CS[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1N(C)C ZINC000286121056 443650249 /nfs/dbraw/zinc/65/02/49/443650249.db2.gz FGUAIFPZZDPIOC-OLZOCXBDSA-N 0 1 349.416 1.725 20 5 EDBDMN O=C(CN1CC[C@H](CCCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452123094 320242931 /nfs/dbraw/zinc/24/29/31/320242931.db2.gz HZACVCULXGQWBN-ZDUSSCGKSA-N 0 1 333.388 1.578 20 5 EDBDMN O=C(NC[C@H]1CCCCN1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390816 320248755 /nfs/dbraw/zinc/24/87/55/320248755.db2.gz OYSAHGHSYWWUDD-GFCCVEGCSA-N 0 1 325.340 1.311 20 5 EDBDMN CCCc1[nH]nc(C(=O)N(C)C2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000457303616 320324984 /nfs/dbraw/zinc/32/49/84/320324984.db2.gz GCVVJRFLBUIMNZ-UHFFFAOYSA-N 0 1 325.369 1.368 20 5 EDBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491559416 320371925 /nfs/dbraw/zinc/37/19/25/320371925.db2.gz AGLJRGZRLYLFDY-WHLNPGIBSA-N 0 1 346.387 1.064 20 5 EDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491561066 320372076 /nfs/dbraw/zinc/37/20/76/320372076.db2.gz IFVPSLCHHNNUMX-WBTMPAOCSA-N 0 1 332.404 1.360 20 5 EDBDMN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000281245542 443858158 /nfs/dbraw/zinc/85/81/58/443858158.db2.gz UTQAWNZIWKVACG-MEDUHNTESA-N 0 1 334.376 1.380 20 5 EDBDMN CC[C@@H](C)NC(=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000298997078 443923782 /nfs/dbraw/zinc/92/37/82/443923782.db2.gz RNUOXPFWIBGKRJ-SECBINFHSA-N 0 1 333.348 1.506 20 5 EDBDMN CCOc1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000281516603 443933032 /nfs/dbraw/zinc/93/30/32/443933032.db2.gz ZCMHFJJUSURQAW-OLZOCXBDSA-N 0 1 335.360 1.924 20 5 EDBDMN COCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299212141 443983911 /nfs/dbraw/zinc/98/39/11/443983911.db2.gz HQERIYMGMWVNIG-UHFFFAOYSA-N 0 1 337.376 1.154 20 5 EDBDMN COc1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285674467 444067788 /nfs/dbraw/zinc/06/77/88/444067788.db2.gz HIAHPFDURSSLOB-KGLIPLIRSA-N 0 1 335.360 1.149 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000285897153 444145651 /nfs/dbraw/zinc/14/56/51/444145651.db2.gz KAWLTDNQKDHSEF-OAHLLOKOSA-N 0 1 338.364 1.292 20 5 EDBDMN C[C@H]1NC(=O)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282255832 444128054 /nfs/dbraw/zinc/12/80/54/444128054.db2.gz GVWUXPKITWSXSW-PSASIEDQSA-N 0 1 340.767 1.443 20 5 EDBDMN CC[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1n[nH]c(C)n1 ZINC000301472567 444173763 /nfs/dbraw/zinc/17/37/63/444173763.db2.gz KZMXZDWCJKUSRE-SECBINFHSA-N 0 1 329.320 1.592 20 5 EDBDMN COCC[C@@H](COC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000320739241 444331998 /nfs/dbraw/zinc/33/19/98/444331998.db2.gz SUJGTJHPWGPICZ-VIFPVBQESA-N 0 1 336.341 1.064 20 5 EDBDMN C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331152011 444419641 /nfs/dbraw/zinc/41/96/41/444419641.db2.gz BXTAAUJDEQNWIG-WCQYABFASA-N 0 1 332.353 1.563 20 5 EDBDMN CCC(CC)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC ZINC000337986237 444479941 /nfs/dbraw/zinc/47/99/41/444479941.db2.gz WRCNVOADSNJTQQ-UHFFFAOYSA-N 0 1 348.352 1.744 20 5 EDBDMN O=C1CCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343728080 444549662 /nfs/dbraw/zinc/54/96/62/444549662.db2.gz JIWCRUWVKXGNMW-KBPBESRZSA-N 0 1 349.387 1.031 20 5 EDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)n1 ZINC000338243325 444584816 /nfs/dbraw/zinc/58/48/16/444584816.db2.gz OGRFNBDDXVLYDL-JTQLQIEISA-N 0 1 333.352 1.605 20 5 EDBDMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341365085 444797254 /nfs/dbraw/zinc/79/72/54/444797254.db2.gz QSCSJMAGRTVGAG-LLVKDONJSA-N 0 1 342.359 1.917 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)c1[N+](=O)[O-] ZINC000338989640 444973380 /nfs/dbraw/zinc/97/33/80/444973380.db2.gz JWUQUPBNZHEZNQ-VIFPVBQESA-N 0 1 349.351 1.095 20 5 EDBDMN CN(C)c1nc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH]1 ZINC000338926347 444936507 /nfs/dbraw/zinc/93/65/07/444936507.db2.gz NMMODRPFSUZOOH-UHFFFAOYSA-N 0 1 329.320 1.372 20 5 EDBDMN CCc1nc(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cs1 ZINC000339041798 445003087 /nfs/dbraw/zinc/00/30/87/445003087.db2.gz OXCBGEDYBSUXEC-UHFFFAOYSA-N 0 1 345.406 1.309 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000344543357 445047785 /nfs/dbraw/zinc/04/77/85/445047785.db2.gz VXWDFMMPFIXJJZ-QWHCGFSZSA-N 0 1 337.376 1.395 20 5 EDBDMN COc1ccc(NC(=O)CN2C[C@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330600923 445054965 /nfs/dbraw/zinc/05/49/65/445054965.db2.gz VMIADCSPWRSWTH-RYUDHWBXSA-N 0 1 336.392 1.566 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330774356 445135696 /nfs/dbraw/zinc/13/56/96/445135696.db2.gz GNBXNUUWFUPJIO-LBPRGKRZSA-N 0 1 334.250 1.830 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN[C@@H](c2cccnc2)C1 ZINC000337572133 445144762 /nfs/dbraw/zinc/14/47/62/445144762.db2.gz DHIZLBZBCWWGHV-OAHLLOKOSA-N 0 1 328.328 1.482 20 5 EDBDMN COC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000343223248 445148055 /nfs/dbraw/zinc/14/80/55/445148055.db2.gz DJWJBBAOZRFPNX-JTQLQIEISA-N 0 1 336.279 1.491 20 5 EDBDMN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccnn1C ZINC000348370638 445269346 /nfs/dbraw/zinc/26/93/46/445269346.db2.gz WEGYCCCYCOFZKY-UHFFFAOYSA-N 0 1 345.359 1.758 20 5 EDBDMN NC(=O)C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000351729035 445296112 /nfs/dbraw/zinc/29/61/12/445296112.db2.gz BXMUHJINYFFBDY-CQSZACIVSA-N 0 1 343.330 1.633 20 5 EDBDMN O=C(CN1CCC[C@@H]2COCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453822 445390117 /nfs/dbraw/zinc/39/01/17/445390117.db2.gz PORBEEGAVLPHPQ-ZBFHGGJFSA-N 0 1 345.399 1.985 20 5 EDBDMN Cc1nc([C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000362668203 445489466 /nfs/dbraw/zinc/48/94/66/445489466.db2.gz QFNDSGUCZUESNL-LBPRGKRZSA-N 0 1 341.331 1.274 20 5 EDBDMN CN(C)[C@H]1CCC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675429 445493902 /nfs/dbraw/zinc/49/39/02/445493902.db2.gz SAZZVYGBGZLTBR-BDAKNGLRSA-N 0 1 333.435 1.954 20 5 EDBDMN NC(=O)c1ccc(CN2CCC(c3nnc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000363318891 445764869 /nfs/dbraw/zinc/76/48/69/445764869.db2.gz XJCLKEYGYJCRNH-UHFFFAOYSA-N 0 1 330.348 1.191 20 5 EDBDMN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000356722813 445968694 /nfs/dbraw/zinc/96/86/94/445968694.db2.gz CYWBVCHPTLWNCI-RBSFLKMASA-N 0 1 336.344 1.709 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNS(=O)(=O)NC(C)C ZINC000584030083 326185591 /nfs/dbraw/zinc/18/55/91/326185591.db2.gz HBJHKEXOGNWICB-GFCCVEGCSA-N 0 1 344.437 1.386 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000354314318 446105805 /nfs/dbraw/zinc/10/58/05/446105805.db2.gz AGNOMDHXOWKUEI-CYBMUJFWSA-N 0 1 348.403 1.696 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366601488 446277462 /nfs/dbraw/zinc/27/74/62/446277462.db2.gz LPUKPTUJHNBAOF-UHFFFAOYSA-N 0 1 342.319 1.309 20 5 EDBDMN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370532462 446320255 /nfs/dbraw/zinc/32/02/55/446320255.db2.gz AKRGKXJCMUGPKL-LBPRGKRZSA-N 0 1 335.360 1.095 20 5 EDBDMN COc1ccc(C2=NO[C@H](CNC(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1F ZINC000374906970 446448625 /nfs/dbraw/zinc/44/86/25/446448625.db2.gz BJVXXOPGCMETLA-KWBADKCTSA-N 0 1 337.307 1.109 20 5 EDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000367831324 446596560 /nfs/dbraw/zinc/59/65/60/446596560.db2.gz HMXDQOXPOPSZEU-LLVKDONJSA-N 0 1 329.353 1.154 20 5 EDBDMN CC(C)OC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411632814 446629841 /nfs/dbraw/zinc/62/98/41/446629841.db2.gz HKNAPJYHNFDDGM-CYBMUJFWSA-N 0 1 339.392 1.641 20 5 EDBDMN C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375187911 446631821 /nfs/dbraw/zinc/63/18/21/446631821.db2.gz QCFGQMKEDZXFHG-SWLSCSKDSA-N 0 1 339.417 1.451 20 5 EDBDMN Cn1ncc2c1CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411847764 446695814 /nfs/dbraw/zinc/69/58/14/446695814.db2.gz MTIIKCMIJJDVHY-HNNXBMFYSA-N 0 1 346.387 1.516 20 5 EDBDMN CC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc21 ZINC000371270351 446730771 /nfs/dbraw/zinc/73/07/71/446730771.db2.gz YZLKOQJMTFZMBI-NSHDSACASA-N 0 1 329.316 1.546 20 5 EDBDMN Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420730460 446776880 /nfs/dbraw/zinc/77/68/80/446776880.db2.gz DGABMJUPXVYMJZ-CYBMUJFWSA-N 0 1 341.433 1.926 20 5 EDBDMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)C1 ZINC000368320447 446784815 /nfs/dbraw/zinc/78/48/15/446784815.db2.gz YFRCTGMMRBIZSU-CQSZACIVSA-N 0 1 348.403 1.152 20 5 EDBDMN CN(C(=O)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046594 446808012 /nfs/dbraw/zinc/80/80/12/446808012.db2.gz NUYBQEKLDZKNID-XEZPLFJOSA-N 0 1 333.388 1.650 20 5 EDBDMN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000418994833 446852562 /nfs/dbraw/zinc/85/25/62/446852562.db2.gz INVBTBOBRJLEDR-QWRGUYRKSA-N 0 1 347.375 1.135 20 5 EDBDMN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CN1CCO ZINC000418994833 446852568 /nfs/dbraw/zinc/85/25/68/446852568.db2.gz INVBTBOBRJLEDR-QWRGUYRKSA-N 0 1 347.375 1.135 20 5 EDBDMN C[C@@H](F)CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968918 446939037 /nfs/dbraw/zinc/93/90/37/446939037.db2.gz ATBFBBYJMAIYIJ-LLVKDONJSA-N 0 1 333.385 1.553 20 5 EDBDMN CN1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424945480 446970601 /nfs/dbraw/zinc/97/06/01/446970601.db2.gz UFLQJIGDDSJOPU-SECBINFHSA-N 0 1 331.332 1.069 20 5 EDBDMN CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000424951165 446972119 /nfs/dbraw/zinc/97/21/19/446972119.db2.gz OMZHRLNNYBLPDM-UHFFFAOYSA-N 0 1 326.353 1.806 20 5 EDBDMN CC[C@H](NC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162488 446980321 /nfs/dbraw/zinc/98/03/21/446980321.db2.gz KHHNQFZJKVWMEO-ZOWXZIJZSA-N 0 1 348.403 1.371 20 5 EDBDMN CCOc1cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419325742 447092781 /nfs/dbraw/zinc/09/27/81/447092781.db2.gz BGYVRYZHPUJHMQ-ZIAGYGMSSA-N 0 1 337.420 1.880 20 5 EDBDMN CC(=O)N[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421383856 447145401 /nfs/dbraw/zinc/14/54/01/447145401.db2.gz DREPFYSKOIOMLO-HNNXBMFYSA-N 0 1 343.387 1.706 20 5 EDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425519509 447209481 /nfs/dbraw/zinc/20/94/81/447209481.db2.gz XAKPFJAILFVJNA-ZIAGYGMSSA-N 0 1 347.375 1.263 20 5 EDBDMN O=C(NC1CC1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372723558 447247172 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O=C(NC1CN(C(=O)OCc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000496938400 448052247 /nfs/dbraw/zinc/05/22/47/448052247.db2.gz MEDOIFOBMGHOGG-UHFFFAOYSA-N 0 1 345.315 1.069 20 5 EDBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295920 448112382 /nfs/dbraw/zinc/11/23/82/448112382.db2.gz OBNHWKLXTGTUOU-ZDUSSCGKSA-N 0 1 329.360 1.712 20 5 EDBDMN CN1CCN(C)[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491792619 448125167 /nfs/dbraw/zinc/12/51/67/448125167.db2.gz HPQDGKBLKWLCPE-SDQPKGBYSA-N 0 1 336.367 1.109 20 5 EDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[nH]n2)CCCC1 ZINC000491842921 448137355 /nfs/dbraw/zinc/13/73/55/448137355.db2.gz HBIYOGJZVZWOQE-VMPITWQZSA-N 0 1 328.332 1.707 20 5 EDBDMN COc1ccc(NC(=O)CN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000577080876 448207867 /nfs/dbraw/zinc/20/78/67/448207867.db2.gz CHDBEODSGHYSEL-UHFFFAOYSA-N 0 1 336.392 1.568 20 5 EDBDMN COc1cc(S(=O)(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000532347960 448241558 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1.794 20 5 EDBDMN COc1ccccc1[C@H](N)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000592287126 448773367 /nfs/dbraw/zinc/77/33/67/448773367.db2.gz PWVCXPOFTUUFJH-LLVKDONJSA-N 0 1 333.348 1.075 20 5 EDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](Cn2ccnn2)C1 ZINC000595608557 449077183 /nfs/dbraw/zinc/07/71/83/449077183.db2.gz SKHHAHUSBIVCSH-STQMWFEESA-N 0 1 344.375 1.535 20 5 EDBDMN Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000589926696 449081612 /nfs/dbraw/zinc/08/16/12/449081612.db2.gz YROYKYULFRVNTK-FZMZJTMJSA-N 0 1 325.390 1.228 20 5 EDBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000589928222 449082458 /nfs/dbraw/zinc/08/24/58/449082458.db2.gz DUWMDIASJBWDFS-TZMCWYRMSA-N 0 1 339.417 1.536 20 5 EDBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1cnc[nH]1 ZINC000597863236 449128591 /nfs/dbraw/zinc/12/85/91/449128591.db2.gz LRRBLWFDILNNPJ-NSHDSACASA-N 0 1 335.368 1.209 20 5 EDBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C 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GNVQODRDOSSMAS-UHFFFAOYSA-N 0 1 333.348 1.913 20 5 EDBDMN COCc1nnc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000598049195 449214212 /nfs/dbraw/zinc/21/42/12/449214212.db2.gz GNVQODRDOSSMAS-UHFFFAOYSA-N 0 1 333.348 1.913 20 5 EDBDMN O=C(CN1CC[C@H]2COC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826945 449189936 /nfs/dbraw/zinc/18/99/36/449189936.db2.gz BGKUXBYLWPRMNU-UONOGXRCSA-N 0 1 331.372 1.452 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000590557426 449190087 /nfs/dbraw/zinc/19/00/87/449190087.db2.gz AHEZEDSDVYMVPC-UHFFFAOYSA-N 0 1 330.304 1.710 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593849307 449236854 /nfs/dbraw/zinc/23/68/54/449236854.db2.gz NRVJEOMWMVPCSK-AWEZNQCLSA-N 0 1 343.387 1.625 20 5 EDBDMN COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C(C)(C)C1 ZINC000593876895 449256122 /nfs/dbraw/zinc/25/61/22/449256122.db2.gz WYYYBDYSGOGGJX-UHFFFAOYSA-N 0 1 337.376 1.483 20 5 EDBDMN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000593536475 449332539 /nfs/dbraw/zinc/33/25/39/449332539.db2.gz RFWAKEHHSPFNAL-GFCCVEGCSA-N 0 1 342.421 1.389 20 5 EDBDMN CCOC(=O)C12CC(C1)CN2C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000598444124 449396520 /nfs/dbraw/zinc/39/65/20/449396520.db2.gz OSRGHMMYVGUJPL-UHFFFAOYSA-N 0 1 336.348 1.609 20 5 EDBDMN CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000596224323 449425075 /nfs/dbraw/zinc/42/50/75/449425075.db2.gz AJMWLWBXDYJRJG-CQSZACIVSA-N 0 1 327.388 1.935 20 5 EDBDMN NC(=O)c1cc(N2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596295120 449460486 /nfs/dbraw/zinc/46/04/86/449460486.db2.gz PNWYKDLYFCHTGA-CYBMUJFWSA-N 0 1 348.403 1.385 20 5 EDBDMN CC(C)(C)N1CC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596306567 449466886 /nfs/dbraw/zinc/46/68/86/449466886.db2.gz GFSRCSRDSZSIEA-NSHDSACASA-N 0 1 342.421 1.527 20 5 EDBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000600676810 449487450 /nfs/dbraw/zinc/48/74/50/449487450.db2.gz XFGMLAGCDWOVEL-INIZCTEOSA-N 0 1 347.327 1.925 20 5 EDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000600676810 449487456 /nfs/dbraw/zinc/48/74/56/449487456.db2.gz XFGMLAGCDWOVEL-INIZCTEOSA-N 0 1 347.327 1.925 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000596869440 449697417 /nfs/dbraw/zinc/69/74/17/449697417.db2.gz NJFVAPUHCKLPNK-SNVBAGLBSA-N 0 1 330.344 1.748 20 5 EDBDMN CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1(C)C ZINC000594774078 449686928 /nfs/dbraw/zinc/68/69/28/449686928.db2.gz XLWKQNYTSQHTPS-JMJZKYOTSA-N 0 1 329.378 1.328 20 5 EDBDMN CC1(C)CCC[C@]1(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776880 449689130 /nfs/dbraw/zinc/68/91/30/449689130.db2.gz MSMXXJFEADREDQ-ZDUSSCGKSA-N 0 1 329.378 1.209 20 5 EDBDMN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778313 449690407 /nfs/dbraw/zinc/69/04/07/449690407.db2.gz HGXMPYBJPCQXKC-NWDGAFQWSA-N 0 1 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343.380 1.497 20 5 EDBDMN COc1cccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000192685459 442677128 /nfs/dbraw/zinc/67/71/28/442677128.db2.gz XKQHPRWFOSRYTJ-CYBMUJFWSA-N 0 1 349.387 1.398 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000192709626 442678930 /nfs/dbraw/zinc/67/89/30/442678930.db2.gz ZLMZJOZURXTKDL-UHFFFAOYSA-N 0 1 327.406 1.618 20 5 EDBDMN CN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192849231 442692760 /nfs/dbraw/zinc/69/27/60/442692760.db2.gz XQESJMKSTWNUQR-UHFFFAOYSA-N 0 1 327.406 1.451 20 5 EDBDMN C[N@@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000193763716 442782538 /nfs/dbraw/zinc/78/25/38/442782538.db2.gz NQHTZBVGUVIPNH-ZFWWWQNUSA-N 0 1 342.355 1.871 20 5 EDBDMN C[N@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000193763716 442782543 /nfs/dbraw/zinc/78/25/43/442782543.db2.gz NQHTZBVGUVIPNH-ZFWWWQNUSA-N 0 1 342.355 1.871 20 5 EDBDMN COc1cc(CN2CCN(C[C@H](C)O)CC2)c([N+](=O)[O-])cc1F 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BPMPPECTFACWGL-SNVBAGLBSA-N 0 1 343.380 1.497 20 5 EDBDMN Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000189941761 443033603 /nfs/dbraw/zinc/03/36/03/443033603.db2.gz ZFTZSVHCODMANB-LBPRGKRZSA-N 0 1 341.433 1.973 20 5 EDBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCC1=O ZINC000190325756 443085469 /nfs/dbraw/zinc/08/54/69/443085469.db2.gz CLHFBPVBGBCSMK-SNVBAGLBSA-N 0 1 345.359 1.602 20 5 EDBDMN Cc1cc(S(=O)(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000185234079 443167178 /nfs/dbraw/zinc/16/71/78/443167178.db2.gz FIRXNZXMOMMHSK-UHFFFAOYSA-N 0 1 327.406 1.618 20 5 EDBDMN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000269033405 443178789 /nfs/dbraw/zinc/17/87/89/443178789.db2.gz CAHFKWIGKFHQKX-OAHLLOKOSA-N 0 1 341.367 1.934 20 5 EDBDMN CC[C@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000266746923 443227761 /nfs/dbraw/zinc/22/77/61/443227761.db2.gz ORSYUNBBCDXZKU-YPMHNXCESA-N 0 1 325.394 1.524 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000411354608 319177905 /nfs/dbraw/zinc/17/79/05/319177905.db2.gz JIMSIXHAHABWRX-QWHCGFSZSA-N 0 1 348.403 1.749 20 5 EDBDMN COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000282592621 443383834 /nfs/dbraw/zinc/38/38/34/443383834.db2.gz TZNSQYNRBXZTEY-DGCLKSJQSA-N 0 1 346.343 1.583 20 5 EDBDMN CN1CCN(C)[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000264666370 443366110 /nfs/dbraw/zinc/36/61/10/443366110.db2.gz IMLJDQRVEPAZCV-LBPRGKRZSA-N 0 1 331.376 1.052 20 5 EDBDMN COC(=O)c1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272679294 443406789 /nfs/dbraw/zinc/40/67/89/443406789.db2.gz VDRHEJKFSBBDCB-NHYWBVRUSA-N 0 1 347.371 1.548 20 5 EDBDMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272947827 443498568 /nfs/dbraw/zinc/49/85/68/443498568.db2.gz FTBIREGJOMSZKD-AWEZNQCLSA-N 0 1 329.316 1.436 20 5 EDBDMN CCc1nc([C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n[nH]1 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WPLMNNWHRJFCFE-CJNGLKHVSA-N 0 1 338.360 1.596 20 5 EDBDMN CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC)C(=O)OCC ZINC000276790350 443828538 /nfs/dbraw/zinc/82/85/38/443828538.db2.gz KFLRFPCKXNMSSF-ZIAGYGMSSA-N 0 1 342.396 1.206 20 5 EDBDMN COc1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000288303801 443838130 /nfs/dbraw/zinc/83/81/30/443838130.db2.gz GZQQSKLVXSZLAE-ZCFIWIBFSA-N 0 1 328.268 1.833 20 5 EDBDMN O=C([N-]CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000281189515 443843177 /nfs/dbraw/zinc/84/31/77/443843177.db2.gz BMONIHUXCBLLQI-UHFFFAOYSA-N 0 1 349.313 1.182 20 5 EDBDMN CN1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298782957 443867222 /nfs/dbraw/zinc/86/72/22/443867222.db2.gz XYMWBHUXZQVRGF-UHFFFAOYSA-N 0 1 340.767 1.351 20 5 EDBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2[nH]nnc2C1 ZINC000285599004 444043607 /nfs/dbraw/zinc/04/36/07/444043607.db2.gz XQEKPNPSNBEEHX-JTQLQIEISA-N 0 1 349.778 1.830 20 5 EDBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2nn[nH]c2C1 ZINC000285599004 444043612 /nfs/dbraw/zinc/04/36/12/444043612.db2.gz XQEKPNPSNBEEHX-JTQLQIEISA-N 0 1 349.778 1.830 20 5 EDBDMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000285500399 444008761 /nfs/dbraw/zinc/00/87/61/444008761.db2.gz XOWVUTUBAQRGOW-SECBINFHSA-N 0 1 339.377 1.678 20 5 EDBDMN COc1ccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000285529238 444018365 /nfs/dbraw/zinc/01/83/65/444018365.db2.gz ZSPLUPAPLBOLKO-ZETCQYMHSA-N 0 1 341.349 1.069 20 5 EDBDMN COc1cccc([C@H]2C[C@H](O)CN2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070288 444078591 /nfs/dbraw/zinc/07/85/91/444078591.db2.gz HBSQDADBHATNKQ-GOEBONIOSA-N 0 1 332.360 1.608 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccn(C3CCCC3)n2)c1 ZINC000564852704 321151351 /nfs/dbraw/zinc/15/13/51/321151351.db2.gz NTOBMNJPOFTOKC-OAHLLOKOSA-N 0 1 334.380 1.254 20 5 EDBDMN COc1cccc([C@@H]2C[C@H](O)CN2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160981 444101789 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EDBDMN O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052675 444751635 /nfs/dbraw/zinc/75/16/35/444751635.db2.gz IKKVZMIBYYZRPS-NOLJZWGESA-N 0 1 331.372 1.187 20 5 EDBDMN O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344056590 444754145 /nfs/dbraw/zinc/75/41/45/444754145.db2.gz JUKINOMIGHFCFG-DUVNUKRYSA-N 0 1 331.372 1.187 20 5 EDBDMN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)c1 ZINC000344069295 444763865 /nfs/dbraw/zinc/76/38/65/444763865.db2.gz QXEIXOBQMCEHMX-UBHSHLNASA-N 0 1 330.344 1.848 20 5 EDBDMN O=C(NCC[C@H](O)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000337028712 444907057 /nfs/dbraw/zinc/90/70/57/444907057.db2.gz DREKDHXHKJHVDH-VIFPVBQESA-N 0 1 332.238 1.514 20 5 EDBDMN O=C(CCN1CCSC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000337329582 445034785 /nfs/dbraw/zinc/03/47/85/445034785.db2.gz ZVSVQQZHOCITDN-NSHDSACASA-N 0 1 325.390 1.333 20 5 EDBDMN CO[C@H]1C[C@H](c2nnc(C)[nH]2)N(Cc2cc(O)ccc2[N+](=O)[O-])C1 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Cc1cc(S(=O)(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000832272782 594739529 /nfs/dbraw/zinc/73/95/29/594739529.db2.gz NDLCKCYRWLVOIZ-MFKMUULPSA-N 0 1 343.380 1.367 20 5 EDBDMN Cc1ccc(F)c(N2CCC[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)c1 ZINC000840671461 594807673 /nfs/dbraw/zinc/80/76/73/594807673.db2.gz VIRMGKQVXBVLPS-QKCSRTOESA-N 0 1 336.319 1.838 20 5 EDBDMN O=C(OCc1cn(-c2ccc(F)cc2Cl)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC000841159819 594860596 /nfs/dbraw/zinc/86/05/96/594860596.db2.gz MYXQCOAPAWPPAQ-BXKDBHETSA-N 0 1 340.698 1.768 20 5 EDBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000833628450 594891977 /nfs/dbraw/zinc/89/19/77/594891977.db2.gz IKPZKTYOVMEQKX-SWLSCSKDSA-N 0 1 337.376 1.109 20 5 EDBDMN O=C([O-])[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000833770546 594925847 /nfs/dbraw/zinc/92/58/47/594925847.db2.gz IXFHRFCDKAHXNL-CYBMUJFWSA-N 0 1 328.752 1.906 20 5 EDBDMN O=C([O-])[C@@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000833770657 594926267 /nfs/dbraw/zinc/92/62/67/594926267.db2.gz KZCUYBONSMSBHF-ZDUSSCGKSA-N 0 1 328.752 1.906 20 5 EDBDMN Cn1ccnc1[C@@H]([NH2+]CCCNC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833955628 594973627 /nfs/dbraw/zinc/97/36/27/594973627.db2.gz SUCGWBNALBWECA-ZDUSSCGKSA-N 0 1 333.348 1.665 20 5 EDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000842163363 595026963 /nfs/dbraw/zinc/02/69/63/595026963.db2.gz NAYXPQKXMDFYKL-VXGBXAGGSA-N 0 1 338.364 1.390 20 5 EDBDMN COc1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000846281576 595196264 /nfs/dbraw/zinc/19/62/64/595196264.db2.gz FPOFNCBGNQSNQZ-BLLLJJGKSA-N 0 1 336.344 1.527 20 5 EDBDMN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840564131 595264812 /nfs/dbraw/zinc/26/48/12/595264812.db2.gz DHTCKCNYJYCWCM-VXGBXAGGSA-N 0 1 341.389 1.367 20 5 EDBDMN C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844643243 595366523 /nfs/dbraw/zinc/36/65/23/595366523.db2.gz HYPRYUUOROLRBT-YNEHKIRRSA-N 0 1 345.403 1.884 20 5 EDBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000844643243 595366526 /nfs/dbraw/zinc/36/65/26/595366526.db2.gz HYPRYUUOROLRBT-YNEHKIRRSA-N 0 1 345.403 1.884 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1Cc2ccccc2C1 ZINC000849377809 595516339 /nfs/dbraw/zinc/51/63/39/595516339.db2.gz PVAGMWLARCTKNU-UHFFFAOYSA-N 0 1 333.369 1.683 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000849459547 595537262 /nfs/dbraw/zinc/53/72/62/595537262.db2.gz OHFKIKGJFRANQR-KOLCDFICSA-N 0 1 349.315 1.082 20 5 EDBDMN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850593411 595543028 /nfs/dbraw/zinc/54/30/28/595543028.db2.gz PSCXPMYKRIXIOH-SNVBAGLBSA-N 0 1 335.813 1.900 20 5 EDBDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000854972517 595550287 /nfs/dbraw/zinc/55/02/87/595550287.db2.gz XQTLNVYPMQOWAU-ZNSHCXBVSA-N 0 1 327.381 1.460 20 5 EDBDMN Cc1nn(CN2CC[C@@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521953 595782796 /nfs/dbraw/zinc/78/27/96/595782796.db2.gz IHRGVUGFGXPFCG-GFCCVEGCSA-N 0 1 342.363 1.219 20 5 EDBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000853586928 595815201 /nfs/dbraw/zinc/81/52/01/595815201.db2.gz BTJUVUPEKKPUNG-KGLIPLIRSA-N 0 1 329.360 1.779 20 5 EDBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]4COC[C@H]4C3)n2)cc1 ZINC000853586930 595815821 /nfs/dbraw/zinc/81/58/21/595815821.db2.gz BTJUVUPEKKPUNG-UONOGXRCSA-N 0 1 329.360 1.779 20 5 EDBDMN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853988877 595943006 /nfs/dbraw/zinc/94/30/06/595943006.db2.gz DRVZBJFJGPPNHG-BDAKNGLRSA-N 0 1 332.282 1.883 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)cc1F ZINC000866724097 596311010 /nfs/dbraw/zinc/31/10/10/596311010.db2.gz IABZTHYNJUIKQP-SNVBAGLBSA-N 0 1 345.396 1.803 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000862802513 596416769 /nfs/dbraw/zinc/41/67/69/596416769.db2.gz GTQCRCCJXWKIPM-INIZCTEOSA-N 0 1 330.344 1.750 20 5 EDBDMN COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C ZINC000121780987 596516533 /nfs/dbraw/zinc/51/65/33/596516533.db2.gz YIHHFQIVPLYVGW-TXEJJXNPSA-N 0 1 337.376 1.482 20 5 EDBDMN COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C ZINC000121780987 596516536 /nfs/dbraw/zinc/51/65/36/596516536.db2.gz YIHHFQIVPLYVGW-TXEJJXNPSA-N 0 1 337.376 1.482 20 5 EDBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869814319 596646132 /nfs/dbraw/zinc/64/61/32/596646132.db2.gz JCMRRTXWBRYJKA-UHFFFAOYSA-N 0 1 327.344 1.276 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000738068716 600136058 /nfs/dbraw/zinc/13/60/58/600136058.db2.gz PGIWQQKQYWHKAM-UHFFFAOYSA-N 0 1 339.348 1.727 20 5 EDBDMN O=C(NCC1CN(Cc2cc(O)ccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662848 697440002 /nfs/dbraw/zinc/44/00/02/697440002.db2.gz NSJWSPRHWNRHOL-TZMCWYRMSA-N 0 1 339.779 1.259 20 5 EDBDMN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1=COCCO1 ZINC001002282014 708761147 /nfs/dbraw/zinc/76/11/47/708761147.db2.gz DAKJBBSZYDMCJF-UHFFFAOYSA-N 0 1 347.371 1.564 20 5 EDBDMN CCc1nc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001002789831 709384407 /nfs/dbraw/zinc/38/44/07/709384407.db2.gz XKZJOJOHPNCNQP-CHWSQXEVSA-N 0 1 338.433 1.451 20 5 EDBDMN O=C(NC1CCN(Cc2coc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787917 709394140 /nfs/dbraw/zinc/39/41/40/709394140.db2.gz KXSFDMINDXKUEG-ZIAGYGMSSA-N 0 1 334.376 1.298 20 5 EDBDMN CN([C@@H]1CCCN(C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131310764 530033309 /nfs/dbraw/zinc/03/33/09/530033309.db2.gz BPPYPYRRDQRXLI-CYBMUJFWSA-N 0 1 327.406 1.451 20 5 EDBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178099725 232081616 /nfs/dbraw/zinc/08/16/16/232081616.db2.gz BUEIBQQCWGUQFG-HNNXBMFYSA-N 0 1 333.388 1.318 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066106066 215012501 /nfs/dbraw/zinc/01/25/01/215012501.db2.gz CRAQRHGUMGOMJJ-CYBMUJFWSA-N 0 1 339.417 1.762 20 5 EDBDMN COc1ccc(S(=O)(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000103162316 219264066 /nfs/dbraw/zinc/26/40/66/219264066.db2.gz UYASCQRXFKUFIX-UHFFFAOYSA-N 0 1 343.405 1.320 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000069129067 215361569 /nfs/dbraw/zinc/36/15/69/215361569.db2.gz FLNOGAUGLFIQQC-NSHDSACASA-N 0 1 341.433 1.918 20 5 EDBDMN COC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000080789625 138264846 /nfs/dbraw/zinc/26/48/46/138264846.db2.gz DSVHTJBSGUHWNS-SNVBAGLBSA-N 0 1 326.330 1.854 20 5 EDBDMN C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186991277 236088697 /nfs/dbraw/zinc/08/86/97/236088697.db2.gz MVWUYXWWYQASGT-CQSZACIVSA-N 0 1 344.371 1.598 20 5 EDBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000563899615 306351965 /nfs/dbraw/zinc/35/19/65/306351965.db2.gz DIHFGYKHVNQEDL-DGCLKSJQSA-N 0 1 338.360 1.662 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2coc(-c3cccs3)n2)c1 ZINC000564651067 306362076 /nfs/dbraw/zinc/36/20/76/306362076.db2.gz GLGYWDDNTUHHDD-LBPRGKRZSA-N 0 1 349.372 1.659 20 5 EDBDMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111353043 220144225 /nfs/dbraw/zinc/14/42/25/220144225.db2.gz CHEJGNHYBKNQGS-LBPRGKRZSA-N 0 1 327.406 1.748 20 5 EDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+](C)Cc1ccccc1 ZINC000111631035 220172788 /nfs/dbraw/zinc/17/27/88/220172788.db2.gz BIHOBMKEYKIHRD-GFCCVEGCSA-N 0 1 344.371 1.946 20 5 EDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000111631035 220172791 /nfs/dbraw/zinc/17/27/91/220172791.db2.gz BIHOBMKEYKIHRD-GFCCVEGCSA-N 0 1 344.371 1.946 20 5 EDBDMN CNC(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093360836 218218723 /nfs/dbraw/zinc/21/87/23/218218723.db2.gz ARPPNICZRWWRMW-LLVKDONJSA-N 0 1 337.376 1.570 20 5 EDBDMN COc1cc(CN2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000093808808 218249845 /nfs/dbraw/zinc/24/98/45/218249845.db2.gz QXBPJSOUAUBYFN-LLVKDONJSA-N 0 1 337.376 1.699 20 5 EDBDMN CCC[C@@H]1CNCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418080907 251321345 /nfs/dbraw/zinc/32/13/45/251321345.db2.gz DYDYJFFPKUSDIK-GFCCVEGCSA-N 0 1 346.391 1.755 20 5 EDBDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000263474413 139343937 /nfs/dbraw/zinc/34/39/37/139343937.db2.gz IUBVOSZKHOPMLH-UHFFFAOYSA-N 0 1 336.348 1.654 20 5 EDBDMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000263529859 139346579 /nfs/dbraw/zinc/34/65/79/139346579.db2.gz VVWCWTGHSQJGIT-UHFFFAOYSA-N 0 1 325.340 1.761 20 5 EDBDMN Cc1c(C(=O)N(C)[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153745080 224151368 /nfs/dbraw/zinc/15/13/68/224151368.db2.gz QMCCGWZQBRVBDW-LLVKDONJSA-N 0 1 336.348 1.978 20 5 EDBDMN C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000153793357 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20 5 EDBDMN O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000288176027 288423150 /nfs/dbraw/zinc/42/31/50/288423150.db2.gz DQSSRFPUVZOUGH-NSHDSACASA-N 0 1 325.340 1.311 20 5 EDBDMN CO[C@@](C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000291712370 289158684 /nfs/dbraw/zinc/15/86/84/289158684.db2.gz OVEBLOPIKKLERO-ZDUSSCGKSA-N 0 1 332.353 1.827 20 5 EDBDMN CN(C(=O)CN1CC[C@@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000292603476 289392931 /nfs/dbraw/zinc/39/29/31/289392931.db2.gz DWARSNIPLGJVMM-OAHLLOKOSA-N 0 1 333.388 1.937 20 5 EDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000375399965 295348900 /nfs/dbraw/zinc/34/89/00/295348900.db2.gz BDSASLWOOZNOFO-LLVKDONJSA-N 0 1 334.311 1.802 20 5 EDBDMN CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000294753164 303143330 /nfs/dbraw/zinc/14/33/30/303143330.db2.gz AOQKNKQCOSILME-NSHDSACASA-N 0 1 338.383 1.824 20 5 EDBDMN COc1cc(C(=O)NCc2n[nH]c(C3CC3)n2)cc([N+](=O)[O-])c1OC ZINC000295409386 303215246 /nfs/dbraw/zinc/21/52/46/303215246.db2.gz KWYGCFOIRGEWCI-UHFFFAOYSA-N 0 1 347.331 1.538 20 5 EDBDMN CC(C)c1nc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000295875788 303278751 /nfs/dbraw/zinc/27/87/51/303278751.db2.gz XTKQQGIRGHTNNW-UHFFFAOYSA-N 0 1 337.311 1.671 20 5 EDBDMN C[C@](N)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423824882 304910581 /nfs/dbraw/zinc/91/05/81/304910581.db2.gz KBQPWSHQIGNJEV-QGZVFWFLSA-N 0 1 326.356 1.749 20 5 EDBDMN COc1cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451661690 305360073 /nfs/dbraw/zinc/36/00/73/305360073.db2.gz ITTULAIDQAQOTF-TXEJJXNPSA-N 0 1 341.383 1.629 20 5 EDBDMN CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000451768738 305368064 /nfs/dbraw/zinc/36/80/64/305368064.db2.gz AUSMUTRCDAQZOQ-JOYOIKCWSA-N 0 1 348.352 1.064 20 5 EDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000046033873 441070085 /nfs/dbraw/zinc/07/00/85/441070085.db2.gz IMUYQFVZQVFJNN-UHFFFAOYSA-N 0 1 339.417 1.808 20 5 EDBDMN Cc1cccnc1NC(=O)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000057251651 441102458 /nfs/dbraw/zinc/10/24/58/441102458.db2.gz GLLRVOVXRVAMFI-QWHCGFSZSA-N 0 1 332.360 1.232 20 5 EDBDMN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103838 441190106 /nfs/dbraw/zinc/19/01/06/441190106.db2.gz RFKJICNXCRBTSZ-JTQLQIEISA-N 0 1 333.385 1.743 20 5 EDBDMN CNC(=O)[C@H](C)CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000081553957 441287495 /nfs/dbraw/zinc/28/74/95/441287495.db2.gz OUDNZFDLLFBWIV-SECBINFHSA-N 0 1 342.783 1.501 20 5 EDBDMN CCN1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000106804822 441373485 /nfs/dbraw/zinc/37/34/85/441373485.db2.gz JHDRPERHFSGMOS-MRXNPFEDSA-N 0 1 346.431 1.755 20 5 EDBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000064354014 441375964 /nfs/dbraw/zinc/37/59/64/441375964.db2.gz YHWCFMMPAXUKJK-SNVBAGLBSA-N 0 1 332.316 1.538 20 5 EDBDMN O=C(NCc1nnc[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051376573 441408552 /nfs/dbraw/zinc/40/85/52/441408552.db2.gz JTWAUJMEVLPKAZ-UHFFFAOYSA-N 0 1 330.329 1.766 20 5 EDBDMN COc1ccc(NC(=O)CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053236999 441507272 /nfs/dbraw/zinc/50/72/72/441507272.db2.gz BWJGFQVRTRWNBF-UHFFFAOYSA-N 0 1 348.403 1.570 20 5 EDBDMN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000054357271 441573410 /nfs/dbraw/zinc/57/34/10/441573410.db2.gz YUGGTXXIOILODT-NSHDSACASA-N 0 1 341.345 1.170 20 5 EDBDMN COC[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112991331 441574954 /nfs/dbraw/zinc/57/49/54/441574954.db2.gz KDFYWYWFOAZNNW-CYBMUJFWSA-N 0 1 333.388 1.842 20 5 EDBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000136639521 441709734 /nfs/dbraw/zinc/70/97/34/441709734.db2.gz DVKMPKXGZJEPOT-SNVBAGLBSA-N 0 1 335.280 1.287 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000121480572 441715304 /nfs/dbraw/zinc/71/53/04/441715304.db2.gz NGCSSVDNGPRQKD-GFCCVEGCSA-N 0 1 334.376 1.361 20 5 EDBDMN Cc1ccc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000042582161 441754521 /nfs/dbraw/zinc/75/45/21/441754521.db2.gz DANMFVHXXNNDIR-KRWDZBQOSA-N 0 1 348.447 1.905 20 5 EDBDMN CCCN(CC(=O)N(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056510919 441720670 /nfs/dbraw/zinc/72/06/70/441720670.db2.gz REOWFIACZCLUDJ-CQSZACIVSA-N 0 1 339.392 1.135 20 5 EDBDMN C[C@H]1CN(C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000068095705 441728544 /nfs/dbraw/zinc/72/85/44/441728544.db2.gz SKVHAXFETVIEHI-LBPRGKRZSA-N 0 1 348.403 1.502 20 5 EDBDMN O=C(NCc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000159146783 441790765 /nfs/dbraw/zinc/79/07/65/441790765.db2.gz NLMASWWEPXAEIH-UHFFFAOYSA-N 0 1 345.359 1.080 20 5 EDBDMN COc1cc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1[N+](=O)[O-] ZINC000160269769 441869472 /nfs/dbraw/zinc/86/94/72/441869472.db2.gz CDLXXCGMFISBMG-TXEJJXNPSA-N 0 1 335.360 1.335 20 5 EDBDMN CC(C)OC(=O)[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174298339 441910621 /nfs/dbraw/zinc/91/06/21/441910621.db2.gz SCRVQCKYYIVXGQ-VIFPVBQESA-N 0 1 334.332 1.789 20 5 EDBDMN CSc1ccc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000124372126 441922955 /nfs/dbraw/zinc/92/29/55/441922955.db2.gz MMOVGINOHQQUPK-QMMMGPOBSA-N 0 1 336.377 1.706 20 5 EDBDMN Cc1ccc2nc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000174874859 441977219 /nfs/dbraw/zinc/97/72/19/441977219.db2.gz NRCKMPQDYYKZEW-UHFFFAOYSA-N 0 1 328.332 1.683 20 5 EDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175193534 442015184 /nfs/dbraw/zinc/01/51/84/442015184.db2.gz GFHKZEYUBNQCLU-UHFFFAOYSA-N 0 1 334.376 1.643 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCN(C)CC1 ZINC000162028670 442058482 /nfs/dbraw/zinc/05/84/82/442058482.db2.gz QSVVFYYPVJVCLW-UHFFFAOYSA-N 0 1 334.376 1.314 20 5 EDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000126534515 442120508 /nfs/dbraw/zinc/12/05/08/442120508.db2.gz ZYUHFGNUKGTHGD-SECBINFHSA-N 0 1 327.304 1.390 20 5 EDBDMN C[C@@H]1CCCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000151806283 442123186 /nfs/dbraw/zinc/12/31/86/442123186.db2.gz MCIWOYYHAASPGW-CYBMUJFWSA-N 0 1 341.433 1.746 20 5 EDBDMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054471 442167455 /nfs/dbraw/zinc/16/74/55/442167455.db2.gz XNPJQBVUDRFDQR-NSHDSACASA-N 0 1 345.396 1.805 20 5 EDBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000121084851 442175810 /nfs/dbraw/zinc/17/58/10/442175810.db2.gz IZVSDIYKUXFUND-KOLCDFICSA-N 0 1 329.316 1.242 20 5 EDBDMN COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152334344 442198951 /nfs/dbraw/zinc/19/89/51/442198951.db2.gz ONAJTODPRXOLGG-UHFFFAOYSA-N 0 1 340.336 1.201 20 5 EDBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000176246773 442199959 /nfs/dbraw/zinc/19/99/59/442199959.db2.gz PWINCZPPKVMFGK-OAHLLOKOSA-N 0 1 343.387 1.919 20 5 EDBDMN NC(=O)CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000170737944 442255307 /nfs/dbraw/zinc/25/53/07/442255307.db2.gz KEFTUESNOQYZPO-LBPRGKRZSA-N 0 1 349.387 1.939 20 5 EDBDMN CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C[C@@H](C)O ZINC000176936591 442275584 /nfs/dbraw/zinc/27/55/84/442275584.db2.gz YSNQABQSPJFLNV-NEPJUHHUSA-N 0 1 336.392 1.094 20 5 EDBDMN CN1CCO[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000131500361 442373082 /nfs/dbraw/zinc/37/30/82/442373082.db2.gz UOSZGPDEOVVWIR-WDEREUQCSA-N 0 1 343.181 1.272 20 5 EDBDMN COc1cc(CCNC(=O)c2ccc(CN)o2)c([N+](=O)[O-])cc1OC ZINC000178348815 442426173 /nfs/dbraw/zinc/42/61/73/442426173.db2.gz BYXQYZKJSNGIGW-UHFFFAOYSA-N 0 1 349.343 1.636 20 5 EDBDMN CN([C@H]1CCCN(C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178953005 442536709 /nfs/dbraw/zinc/53/67/09/442536709.db2.gz XAVYSPSWMBZTLE-AWEZNQCLSA-N 0 1 341.433 1.493 20 5 EDBDMN CCc1cc(N2CCC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)ncn1 ZINC000156967648 442537623 /nfs/dbraw/zinc/53/76/23/442537623.db2.gz GTEVFBWLJDEIJM-LLVKDONJSA-N 0 1 345.363 1.069 20 5 EDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ncc(Cl)n2C)c1[N+](=O)[O-] ZINC000180468171 442606445 /nfs/dbraw/zinc/60/64/45/442606445.db2.gz POKOBYLXIXWZSS-UHFFFAOYSA-N 0 1 340.771 1.930 20 5 EDBDMN Cc1cnc(CC[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000157857452 442620605 /nfs/dbraw/zinc/62/06/05/442620605.db2.gz NHDRXAAHYJVMSQ-GFCCVEGCSA-N 0 1 325.394 1.092 20 5 EDBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1CCO ZINC000187662641 442684609 /nfs/dbraw/zinc/68/46/09/442684609.db2.gz JHGDAAOZBXWESW-ZDUSSCGKSA-N 0 1 346.387 1.748 20 5 EDBDMN CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000181535894 442702864 /nfs/dbraw/zinc/70/28/64/442702864.db2.gz WFAAXMQJRJQNDU-LLVKDONJSA-N 0 1 329.740 1.613 20 5 EDBDMN CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000181535894 442702866 /nfs/dbraw/zinc/70/28/66/442702866.db2.gz WFAAXMQJRJQNDU-LLVKDONJSA-N 0 1 329.740 1.613 20 5 EDBDMN O=C(NCCc1ccccc1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000188039685 442704264 /nfs/dbraw/zinc/70/42/64/442704264.db2.gz VGLLCQRDBIWWAH-UHFFFAOYSA-N 0 1 326.259 1.892 20 5 EDBDMN C[NH+](C)Cc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188165215 442719342 /nfs/dbraw/zinc/71/93/42/442719342.db2.gz XAKSSEWDWMGTHE-UHFFFAOYSA-N 0 1 330.344 1.687 20 5 EDBDMN C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193733616 442776480 /nfs/dbraw/zinc/77/64/80/442776480.db2.gz VELVPUHOICSUFR-UHFFFAOYSA-N 0 1 345.359 1.294 20 5 EDBDMN C[C@H]1CCCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194158956 442854370 /nfs/dbraw/zinc/85/43/70/442854370.db2.gz NMUCDMHOUBCPES-LBPRGKRZSA-N 0 1 327.406 1.748 20 5 EDBDMN COc1ccnc(N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000294687523 318619140 /nfs/dbraw/zinc/61/91/40/318619140.db2.gz UKSFFHPTGVRROS-UHFFFAOYSA-N 0 1 336.392 1.574 20 5 EDBDMN CC(C)N(CCN(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184722533 443066872 /nfs/dbraw/zinc/06/68/72/443066872.db2.gz ONTKREXOECKDNT-UHFFFAOYSA-N 0 1 329.422 1.697 20 5 EDBDMN CN(CCN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185227086 443164863 /nfs/dbraw/zinc/16/48/63/443164863.db2.gz ZMNNPSZOSCEJHA-UHFFFAOYSA-N 0 1 327.406 1.451 20 5 EDBDMN Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000350391643 319048418 /nfs/dbraw/zinc/04/84/18/319048418.db2.gz NKUODNFCRTXDQK-WFASDCNBSA-N 0 1 333.348 1.909 20 5 EDBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C)CC1 ZINC000269258389 443255317 /nfs/dbraw/zinc/25/53/17/443255317.db2.gz AXCFUJHDIZOBLA-UHFFFAOYSA-N 0 1 347.824 1.929 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCNC(C)(C)C1 ZINC000415824703 319375183 /nfs/dbraw/zinc/37/51/83/319375183.db2.gz WMCGZCWDDQTGGD-UHFFFAOYSA-N 0 1 334.376 1.306 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000269359792 443292664 /nfs/dbraw/zinc/29/26/64/443292664.db2.gz IZQPQJFKVDOOTH-UHFFFAOYSA-N 0 1 347.375 1.992 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000269395375 443302572 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ARRXJOGHCNOMHH-KRWDZBQOSA-N 0 1 346.431 1.974 20 5 EDBDMN Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000563446348 306333744 /nfs/dbraw/zinc/33/37/44/306333744.db2.gz QSBZTEBDCTYWGC-NWDGAFQWSA-N 0 1 327.406 1.583 20 5 EDBDMN C[C@H]1NCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000262795447 291194684 /nfs/dbraw/zinc/19/46/84/291194684.db2.gz TVNJUYNZZFCVBL-BDAKNGLRSA-N 0 1 333.797 1.619 20 5 EDBDMN CN1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1 ZINC000073561074 216396098 /nfs/dbraw/zinc/39/60/98/216396098.db2.gz SVCKOQIHWBOWEA-UHFFFAOYSA-N 0 1 345.359 1.265 20 5 EDBDMN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246141454 139096427 /nfs/dbraw/zinc/09/64/27/139096427.db2.gz KKDUUTBGTHQBIY-VHSXEESVSA-N 0 1 333.435 1.617 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266013635 248029079 /nfs/dbraw/zinc/02/90/79/248029079.db2.gz TXMNFJSKDKZSDF-LBPRGKRZSA-N 0 1 344.249 1.610 20 5 EDBDMN 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EDBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178620148 442449066 /nfs/dbraw/zinc/44/90/66/442449066.db2.gz AXXOUGYOFLOTSZ-ZDUSSCGKSA-N 0 1 334.376 1.781 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC2(C1)OCCO2 ZINC000156422041 442479087 /nfs/dbraw/zinc/47/90/87/442479087.db2.gz SLKKRCRIPJUCJR-UHFFFAOYSA-N 0 1 332.316 1.450 20 5 EDBDMN Cc1nnc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1C1CC1 ZINC000180192047 442556209 /nfs/dbraw/zinc/55/62/09/442556209.db2.gz GZFWDBHZHOXKGP-UHFFFAOYSA-N 0 1 341.331 1.636 20 5 EDBDMN COC(=O)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000191853466 442523492 /nfs/dbraw/zinc/52/34/92/442523492.db2.gz SZTDAIVIQAXASO-KOLCDFICSA-N 0 1 346.343 1.742 20 5 EDBDMN C[N@@H+](CC(=O)[O-])C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000186679194 442590149 /nfs/dbraw/zinc/59/01/49/442590149.db2.gz UZHXEFGQNTWKHU-UHFFFAOYSA-N 0 1 337.376 1.454 20 5 EDBDMN CCN1CCN(C(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180415404 442598880 /nfs/dbraw/zinc/59/88/80/442598880.db2.gz SUQHUGOBJHIKDT-KGLIPLIRSA-N 0 1 334.420 1.798 20 5 EDBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000181399342 442694645 /nfs/dbraw/zinc/69/46/45/442694645.db2.gz PKPXAFFQAZSHDQ-LBPRGKRZSA-N 0 1 331.332 1.846 20 5 EDBDMN CCOC(=O)CN(CC(C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000188307295 442736658 /nfs/dbraw/zinc/73/66/58/442736658.db2.gz SRFGETAFUZFVFL-UHFFFAOYSA-N 0 1 326.353 1.542 20 5 EDBDMN O=C(CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)NC1CC1 ZINC000193731583 442775247 /nfs/dbraw/zinc/77/52/47/442775247.db2.gz SNGCSLZHQABRSO-UHFFFAOYSA-N 0 1 331.332 1.260 20 5 EDBDMN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCN2CCC1CC2 ZINC000188820923 442821468 /nfs/dbraw/zinc/82/14/68/442821468.db2.gz PHHWNJZNNVCSBX-UHFFFAOYSA-N 0 1 341.371 1.701 20 5 EDBDMN CN1CCN(CCC[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182965151 442856358 /nfs/dbraw/zinc/85/63/58/442856358.db2.gz MVHANBKGUDLETD-QGZVFWFLSA-N 0 1 336.436 1.198 20 5 EDBDMN Cc1nn(-c2ccccc2)cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000183048184 442869977 /nfs/dbraw/zinc/86/99/77/442869977.db2.gz OUGBEQMBYGVZSZ-UHFFFAOYSA-N 0 1 326.316 1.742 20 5 EDBDMN CCc1nn(C)c(NC[C@H](C)CN2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000189448273 442955981 /nfs/dbraw/zinc/95/59/81/442955981.db2.gz RVDYQWLHQKHGFQ-ZDUSSCGKSA-N 0 1 338.456 1.576 20 5 EDBDMN CC(C)(C)OC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266136898 443030480 /nfs/dbraw/zinc/03/04/80/443030480.db2.gz BZTHVMBLKFNMPP-UHFFFAOYSA-N 0 1 348.352 1.744 20 5 EDBDMN Cc1ccoc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000266217885 443062646 /nfs/dbraw/zinc/06/26/46/443062646.db2.gz QLIZXUQUWXJJAC-UHFFFAOYSA-N 0 1 339.373 1.564 20 5 EDBDMN C[C@@H](C[S@@](C)=O)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103607 443137336 /nfs/dbraw/zinc/13/73/36/443137336.db2.gz NCOIETUKSPPLLL-OKNBYCPDSA-N 0 1 330.406 1.033 20 5 EDBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1ccccc1 ZINC000185655557 443233481 /nfs/dbraw/zinc/23/34/81/443233481.db2.gz JSGWSWYGEBJAKV-GJZGRUSLSA-N 0 1 341.371 1.747 20 5 EDBDMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269132751 443208082 /nfs/dbraw/zinc/20/80/82/443208082.db2.gz BXDGLBVHGBZWNA-LBPRGKRZSA-N 0 1 347.371 1.679 20 5 EDBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000413821525 319292298 /nfs/dbraw/zinc/29/22/98/319292298.db2.gz RZXQYXWKICWRPM-CYBMUJFWSA-N 0 1 325.340 1.311 20 5 EDBDMN CCN1CCN([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000272465543 443327657 /nfs/dbraw/zinc/32/76/57/443327657.db2.gz PBFFKNQXSNDZAI-ZDUSSCGKSA-N 0 1 347.419 1.029 20 5 EDBDMN Cc1n[nH]c(C(=O)N(C)Cc2c(C)nc3sccn32)c1[N+](=O)[O-] ZINC000267219862 443382893 /nfs/dbraw/zinc/38/28/93/443382893.db2.gz UBHFGKLUVDCHLX-UHFFFAOYSA-N 0 1 334.361 1.916 20 5 EDBDMN O=C(N1CCN2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272533115 443353202 /nfs/dbraw/zinc/35/32/02/443353202.db2.gz MRVYCXUCKASSTC-ZDUSSCGKSA-N 0 1 325.315 1.993 20 5 EDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000272544051 443356772 /nfs/dbraw/zinc/35/67/72/443356772.db2.gz OIBHTQBJIXRYLL-IAQYHMDHSA-N 0 1 335.360 1.093 20 5 EDBDMN O=C(CC1OCCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000282519616 443362599 /nfs/dbraw/zinc/36/25/99/443362599.db2.gz QNHCEIRNEVZZLM-UHFFFAOYSA-N 0 1 333.304 1.472 20 5 EDBDMN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272695720 443412715 /nfs/dbraw/zinc/41/27/15/443412715.db2.gz RRAZGNBJDWAOLL-LBPRGKRZSA-N 0 1 347.371 1.964 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000282730558 443418498 /nfs/dbraw/zinc/41/84/98/443418498.db2.gz ZUBBTYYCYYVLHK-NEPJUHHUSA-N 0 1 334.307 1.714 20 5 EDBDMN C[C@H](CCN(C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264918020 443476035 /nfs/dbraw/zinc/47/60/35/443476035.db2.gz OYKONTYVVXVQTB-SNVBAGLBSA-N 0 1 343.405 1.068 20 5 EDBDMN NC(=O)c1cc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132695 443534549 /nfs/dbraw/zinc/53/45/49/443534549.db2.gz NMTIXBOTUAXBBT-NSHDSACASA-N 0 1 347.350 1.936 20 5 EDBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000425475366 319843195 /nfs/dbraw/zinc/84/31/95/319843195.db2.gz KWJHZKMRTLCZLK-AAEUAGOBSA-N 0 1 345.193 1.987 20 5 EDBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCOCC3)C2)c2nonc21 ZINC000283331557 443603777 /nfs/dbraw/zinc/60/37/77/443603777.db2.gz AKLRYJMZEMFMLH-LBPRGKRZSA-N 0 1 347.375 1.680 20 5 EDBDMN CCOCCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1CC ZINC000265322369 443605857 /nfs/dbraw/zinc/60/58/57/443605857.db2.gz DRFHNSMMURQRIA-LBPRGKRZSA-N 0 1 339.396 1.199 20 5 EDBDMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457161270 320321349 /nfs/dbraw/zinc/32/13/49/320321349.db2.gz IQCOKIBMXQATPB-UHFFFAOYSA-N 0 1 347.331 1.558 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)OCC(C)C)CC2)c1[N+](=O)[O-] ZINC000491199092 320366566 /nfs/dbraw/zinc/36/65/66/320366566.db2.gz TXGFDHYIWKOMHH-UHFFFAOYSA-N 0 1 339.352 1.177 20 5 EDBDMN O=C1[C@H](N2CCc3cn[nH]c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611009086 450404981 /nfs/dbraw/zinc/40/49/81/450404981.db2.gz SMDZIDVGEJEFEX-OAHLLOKOSA-N 0 1 327.344 1.482 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC=C(c3ccncc3)C2)c1 ZINC000286254682 443677915 /nfs/dbraw/zinc/67/79/15/443677915.db2.gz AVMOXJFAIDMUHS-MRXNPFEDSA-N 0 1 329.360 1.337 20 5 EDBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCOC[C@@H]1c1nnc[nH]1 ZINC000286353243 443696611 /nfs/dbraw/zinc/69/66/11/443696611.db2.gz BXAQSBMRQKHXSQ-CYBMUJFWSA-N 0 1 326.316 1.839 20 5 EDBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 ZINC000292805369 443848308 /nfs/dbraw/zinc/84/83/08/443848308.db2.gz VACUGERSJYYCEH-SECBINFHSA-N 0 1 333.352 1.927 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)c1[N+](=O)[O-] ZINC000276728924 443805142 /nfs/dbraw/zinc/80/51/42/443805142.db2.gz HYQFFNXXAQGJAJ-LBPRGKRZSA-N 0 1 348.363 1.310 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000299429843 444043795 /nfs/dbraw/zinc/04/37/95/444043795.db2.gz WZIDINMFDKAUDA-CQSZACIVSA-N 0 1 349.366 1.658 20 5 EDBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCc2[nH]nnc2C1 ZINC000285608973 444047058 /nfs/dbraw/zinc/04/70/58/444047058.db2.gz CWVMXLUOGBJOEP-QMMMGPOBSA-N 0 1 335.751 1.788 20 5 EDBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCc2nn[nH]c2C1 ZINC000285608973 444047063 /nfs/dbraw/zinc/04/70/63/444047063.db2.gz CWVMXLUOGBJOEP-QMMMGPOBSA-N 0 1 335.751 1.788 20 5 EDBDMN CS(=O)(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285630290 444053993 /nfs/dbraw/zinc/05/39/93/444053993.db2.gz ZYMBITXFQLHGHC-UHFFFAOYSA-N 0 1 327.406 1.356 20 5 EDBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000277868758 444054342 /nfs/dbraw/zinc/05/43/42/444054342.db2.gz ONKOIHHJAFIRMO-UWVGGRQHSA-N 0 1 335.368 1.690 20 5 EDBDMN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000564253537 321124100 /nfs/dbraw/zinc/12/41/00/321124100.db2.gz TVGWFHNKQYHKCT-BDAKNGLRSA-N 0 1 345.352 1.056 20 5 EDBDMN COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000568970622 321312775 /nfs/dbraw/zinc/31/27/75/321312775.db2.gz PLAYAILQZOWDOF-OCCSQVGLSA-N 0 1 349.387 1.262 20 5 EDBDMN COc1cccc([C@@H]2C[C@@H](O)CN2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160975 444101513 /nfs/dbraw/zinc/10/15/13/444101513.db2.gz LSJWFTTVRBVZKZ-HIFRSBDPSA-N 0 1 332.360 1.608 20 5 EDBDMN C[C@H](C(=O)NCCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521408 321328996 /nfs/dbraw/zinc/32/89/96/321328996.db2.gz FOSVNRUQMGJBGZ-SWLSCSKDSA-N 0 1 348.403 1.154 20 5 EDBDMN C[C@H](C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000571217720 321377389 /nfs/dbraw/zinc/37/73/89/321377389.db2.gz RAYOLJYYTAHXBZ-SNVBAGLBSA-N 0 1 330.362 1.021 20 5 EDBDMN C[C@H](C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000571217720 321377390 /nfs/dbraw/zinc/37/73/90/321377390.db2.gz RAYOLJYYTAHXBZ-SNVBAGLBSA-N 0 1 330.362 1.021 20 5 EDBDMN COC(=O)c1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301399554 444169761 /nfs/dbraw/zinc/16/97/61/444169761.db2.gz HWSWAFHVPZKVFI-NEPJUHHUSA-N 0 1 337.376 1.273 20 5 EDBDMN CCOc1cc(N2CCN(Cc3c[nH]nn3)CC2)ccc1[N+](=O)[O-] ZINC000296146253 444207974 /nfs/dbraw/zinc/20/79/74/444207974.db2.gz XOYRGLAVIIOEOD-UHFFFAOYSA-N 0 1 332.364 1.434 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3nc[nH]n3)CC2)c1 ZINC000302194479 444208203 /nfs/dbraw/zinc/20/82/03/444208203.db2.gz SDNXVDJWQVJLAX-UHFFFAOYSA-N 0 1 331.332 1.884 20 5 EDBDMN COC(=O)c1cc(N2CCN(CCO)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000302482834 444214714 /nfs/dbraw/zinc/21/47/14/444214714.db2.gz XYVZBNQJWMGHDM-GFCCVEGCSA-N 0 1 337.376 1.193 20 5 EDBDMN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301525789 444177366 /nfs/dbraw/zinc/17/73/66/444177366.db2.gz HOHKGIVGOQKWGB-GFCCVEGCSA-N 0 1 342.421 1.529 20 5 EDBDMN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709917 444274057 /nfs/dbraw/zinc/27/40/57/444274057.db2.gz XFNPXBWBKGLBCM-SJORKVTESA-N 0 1 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COC(=O)[C@@H](O)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255570480 139208049 /nfs/dbraw/zinc/20/80/49/139208049.db2.gz QZZIBZMNCBOFIT-LEXSJLIMSA-N 0 1 334.372 1.854 20 5 EDBDMN CC1(C)CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000415821702 251031436 /nfs/dbraw/zinc/03/14/36/251031436.db2.gz HZAMYMQQMFPOMS-UHFFFAOYSA-N 0 1 340.767 1.397 20 5 EDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CN(C)C(=O)OC(C)(C)C ZINC000494316614 255245711 /nfs/dbraw/zinc/24/57/11/255245711.db2.gz NVKNBOUXENMIER-SECBINFHSA-N 0 1 341.368 1.551 20 5 EDBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496478131 255396604 /nfs/dbraw/zinc/39/66/04/255396604.db2.gz IGQHTRQRZKWAHO-DDHJBXDOSA-N 0 1 328.365 1.840 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCOC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000119330740 221296182 /nfs/dbraw/zinc/29/61/82/221296182.db2.gz HYAZZRSHPFMPHF-UHFFFAOYSA-N 0 1 338.364 1.292 20 5 EDBDMN COc1cc(N2CCN(C[C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271088184 140234151 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CC(C)c1[nH]nc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1[N+](=O)[O-] ZINC000343849213 444625937 /nfs/dbraw/zinc/62/59/37/444625937.db2.gz MCJOFSDXWNAYED-UHFFFAOYSA-N 0 1 347.379 1.812 20 5 EDBDMN Cc1ncc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000343982747 444708885 /nfs/dbraw/zinc/70/88/85/444708885.db2.gz OVRVWBFAKDIHRK-UHFFFAOYSA-N 0 1 342.308 1.016 20 5 EDBDMN COc1ccc2c(c1)OCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000338710985 444816493 /nfs/dbraw/zinc/81/64/93/444816493.db2.gz ZCAJSAMKLDUVAV-UHFFFAOYSA-N 0 1 332.316 1.670 20 5 EDBDMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000342794416 444870104 /nfs/dbraw/zinc/87/01/04/444870104.db2.gz VCHVQNBCEVMMKY-ZETCQYMHSA-N 0 1 345.406 1.937 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000342953651 444963514 /nfs/dbraw/zinc/96/35/14/444963514.db2.gz PXCCZNDMJFEXDD-UHFFFAOYSA-N 0 1 346.328 1.576 20 5 EDBDMN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344440834 444973280 /nfs/dbraw/zinc/97/32/80/444973280.db2.gz YITSPGIDKGYBGW-AAEUAGOBSA-N 0 1 334.376 1.441 20 5 EDBDMN CC(C)OC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337281509 445014392 /nfs/dbraw/zinc/01/43/92/445014392.db2.gz HVRWBMZGMPLGRR-LBPRGKRZSA-N 0 1 330.406 1.772 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000330587294 445048196 /nfs/dbraw/zinc/04/81/96/445048196.db2.gz MEDICGJLTRDJJC-RYUDHWBXSA-N 0 1 336.392 1.566 20 5 EDBDMN CO[C@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344654533 445107219 /nfs/dbraw/zinc/10/72/19/445107219.db2.gz JFGWMDICWOZEDB-QWRGUYRKSA-N 0 1 347.379 1.286 20 5 EDBDMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339265440 445123798 /nfs/dbraw/zinc/12/37/98/445123798.db2.gz QOECTANNXPWCOG-ZUZCIYMTSA-N 0 1 345.359 1.243 20 5 EDBDMN CN1CCO[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000343279553 445175406 /nfs/dbraw/zinc/17/54/06/445175406.db2.gz JIVGNYADOMFMRB-ZIAGYGMSSA-N 0 1 329.360 1.447 20 5 EDBDMN CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000343323237 445198541 /nfs/dbraw/zinc/19/85/41/445198541.db2.gz SVADNJZWISDTRY-GZMMTYOYSA-N 0 1 336.327 1.709 20 5 EDBDMN CN1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000348127456 445282255 /nfs/dbraw/zinc/28/22/55/445282255.db2.gz SABMGKMFODDBQI-GFCCVEGCSA-N 0 1 329.784 1.235 20 5 EDBDMN COc1c(C(=O)N2CCCN([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000356986669 445362279 /nfs/dbraw/zinc/36/22/79/445362279.db2.gz QOAZLVFYCCDKMD-GFCCVEGCSA-N 0 1 337.376 1.132 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000362752641 445533232 /nfs/dbraw/zinc/53/32/32/445533232.db2.gz HYGYLGXFRDHBKV-JMJZKYOTSA-N 0 1 337.405 1.273 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)c1C ZINC000353492965 445627755 /nfs/dbraw/zinc/62/77/55/445627755.db2.gz MSMYZKCPADMQRK-WDEREUQCSA-N 0 1 327.406 1.583 20 5 EDBDMN Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)[nH]nc1-c1ccncc1 ZINC000363035682 445655844 /nfs/dbraw/zinc/65/58/44/445655844.db2.gz SIQXUJZCVSAMIQ-UHFFFAOYSA-N 0 1 327.304 1.524 20 5 EDBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CC[C@@H](CO)O2)c1 ZINC000353693776 445711538 /nfs/dbraw/zinc/71/15/38/445711538.db2.gz XXDUCYHGKLLIBI-NEPJUHHUSA-N 0 1 332.303 1.826 20 5 EDBDMN CCCc1nc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2)no1 ZINC000363235719 445734845 /nfs/dbraw/zinc/73/48/45/445734845.db2.gz AXSHCRVTIMYGGT-YRGRVCCFSA-N 0 1 330.344 1.893 20 5 EDBDMN O=C(NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000356403781 445774706 /nfs/dbraw/zinc/77/47/06/445774706.db2.gz GBTGVWBTZIPSBG-UHFFFAOYSA-N 0 1 347.302 1.599 20 5 EDBDMN Cc1cc(C2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc([N+](=O)[O-])c1N ZINC000363469637 445816676 /nfs/dbraw/zinc/81/66/76/445816676.db2.gz CVBDFLARBSTJHX-OLZOCXBDSA-N 0 1 346.343 1.766 20 5 EDBDMN Cc1nc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC000363512940 445838795 /nfs/dbraw/zinc/83/87/95/445838795.db2.gz VMTCLLNXBHUWPU-ZIAGYGMSSA-N 0 1 336.392 1.285 20 5 EDBDMN Cc1c(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000619209120 450427385 /nfs/dbraw/zinc/42/73/85/450427385.db2.gz JHJOFOZDUYCXLS-CQSZACIVSA-N 0 1 338.327 1.936 20 5 EDBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350559693 445849981 /nfs/dbraw/zinc/84/99/81/445849981.db2.gz OTHTUMYERSXXFH-UHFFFAOYSA-N 0 1 330.348 1.107 20 5 EDBDMN COc1ccc(NS(=O)(=O)c2c(C)cnn2C)cc1[N+](=O)[O-] ZINC000350872088 445935720 /nfs/dbraw/zinc/93/57/20/445935720.db2.gz UHYISKPNNTUMPQ-UHFFFAOYSA-N 0 1 326.334 1.446 20 5 EDBDMN O=C1NC2(CCCC2)C(=O)N1CCNCc1ccccc1[N+](=O)[O-] ZINC000359139097 445976023 /nfs/dbraw/zinc/97/60/23/445976023.db2.gz VOTIPFKTVBLLQR-UHFFFAOYSA-N 0 1 332.360 1.549 20 5 EDBDMN O=C(NC[C@H](CO)Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356763339 445993881 /nfs/dbraw/zinc/99/38/81/445993881.db2.gz AUPMFBFHDBFIEF-CYBMUJFWSA-N 0 1 330.340 1.881 20 5 EDBDMN CC(C)(C)c1nc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000583933600 326168114 /nfs/dbraw/zinc/16/81/14/326168114.db2.gz GJTZPOOUOLFLJW-UHFFFAOYSA-N 0 1 344.331 1.875 20 5 EDBDMN CCO[C@@H]1COCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000362022608 446159530 /nfs/dbraw/zinc/15/95/30/446159530.db2.gz HACGGJDPKNIAJJ-GXTWGEPZSA-N 0 1 337.376 1.625 20 5 EDBDMN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12)N1CCNCC1 ZINC000370368470 446249592 /nfs/dbraw/zinc/24/95/92/446249592.db2.gz UJEPJJVSAFFCKZ-RDJZCZTQSA-N 0 1 344.415 1.558 20 5 EDBDMN COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000370370556 446250511 /nfs/dbraw/zinc/25/05/11/446250511.db2.gz UIOWFLAJJNCMQM-LYRGGWFBSA-N 0 1 349.387 1.312 20 5 EDBDMN CN1CCC2(CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000374297674 446361441 /nfs/dbraw/zinc/36/14/41/446361441.db2.gz SOPZFNRQPCMADK-UHFFFAOYSA-N 0 1 339.417 1.844 20 5 EDBDMN Cc1c(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000411105779 446401082 /nfs/dbraw/zinc/40/10/82/446401082.db2.gz YCTDAYLGOIPSAQ-UHFFFAOYSA-N 0 1 330.304 1.166 20 5 EDBDMN Nc1ccc(C(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000370760837 446420998 /nfs/dbraw/zinc/42/09/98/446420998.db2.gz UCDAJQFOJMSPQM-HIFRSBDPSA-N 0 1 348.403 1.408 20 5 EDBDMN COc1cc(OC)cc([C@]2(F)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000374977849 446492238 /nfs/dbraw/zinc/49/22/38/446492238.db2.gz HRRNQNGFDPBZIC-DZKIICNBSA-N 0 1 338.335 1.766 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371237405 446707889 /nfs/dbraw/zinc/70/78/89/446707889.db2.gz TXODSZCBWDQENU-WDEREUQCSA-N 0 1 330.344 1.970 20 5 EDBDMN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619253389 450435188 /nfs/dbraw/zinc/43/51/88/450435188.db2.gz WRYXDSLWTSPSPP-JQWIXIFHSA-N 0 1 339.371 1.529 20 5 EDBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419002006 446858857 /nfs/dbraw/zinc/85/88/57/446858857.db2.gz LWIJABYPMDOFEA-NWDGAFQWSA-N 0 1 347.375 1.536 20 5 EDBDMN O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371790744 446964421 /nfs/dbraw/zinc/96/44/21/446964421.db2.gz YYKYUSRPAQXPNY-KBPBESRZSA-N 0 1 349.387 1.674 20 5 EDBDMN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425218925 447069439 /nfs/dbraw/zinc/06/94/39/447069439.db2.gz ZOPZFFWDNKWOPC-GXTWGEPZSA-N 0 1 339.417 1.618 20 5 EDBDMN C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000413136161 447027490 /nfs/dbraw/zinc/02/74/90/447027490.db2.gz SPVYYZCQFMFLMR-ZJUUUORDSA-N 0 1 348.325 1.900 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000368804787 447119245 /nfs/dbraw/zinc/11/92/45/447119245.db2.gz GIPLHRDMFLMYNI-SKDRFNHKSA-N 0 1 326.299 1.440 20 5 EDBDMN NC(=O)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000421942946 447288040 /nfs/dbraw/zinc/28/80/40/447288040.db2.gz CUCCAIINQZAWSF-NXEZZACHSA-N 0 1 347.249 1.036 20 5 EDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](OC(F)F)C1 ZINC000549210885 447867405 /nfs/dbraw/zinc/86/74/05/447867405.db2.gz HWPXDELIQXCZRQ-QMMMGPOBSA-N 0 1 326.259 1.925 20 5 EDBDMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496762896 447891605 /nfs/dbraw/zinc/89/16/05/447891605.db2.gz HOLHPIQSOPXNSQ-IRCOFANPSA-N 0 1 328.365 1.888 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000525307864 447994910 /nfs/dbraw/zinc/99/49/10/447994910.db2.gz MOZVPEAJRLTZSZ-LLVKDONJSA-N 0 1 343.405 1.224 20 5 EDBDMN CCOC(=O)c1c(C)[nH]nc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000572542499 448405173 /nfs/dbraw/zinc/40/51/73/448405173.db2.gz CRCRTTSNSAIFQI-UHFFFAOYSA-N 0 1 338.349 1.468 20 5 EDBDMN CC(C)Oc1nc(N[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000578522677 448569555 /nfs/dbraw/zinc/56/95/55/448569555.db2.gz SSCFPVTZHFBJKB-ZDUSSCGKSA-N 0 1 337.424 1.825 20 5 EDBDMN Cc1cc(C)c(S(=O)(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000592372628 448810378 /nfs/dbraw/zinc/81/03/78/448810378.db2.gz FGJWETIPRYMULO-UHFFFAOYSA-N 0 1 327.406 1.584 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ncoc2-c2ccccc2)c1 ZINC000579464200 448799230 /nfs/dbraw/zinc/79/92/30/448799230.db2.gz DUAUMIOQWUDBDH-CQSZACIVSA-N 0 1 343.343 1.597 20 5 EDBDMN CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000579742885 448869894 /nfs/dbraw/zinc/86/98/94/448869894.db2.gz DBMDFJQVMHFFFT-UHFFFAOYSA-N 0 1 346.343 2.411 20 5 EDBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000592556320 448898687 /nfs/dbraw/zinc/89/86/87/448898687.db2.gz UBRNGQQORGRCHQ-LBPRGKRZSA-N 0 1 341.751 1.225 20 5 EDBDMN Nc1nccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000547729090 448919639 /nfs/dbraw/zinc/91/96/39/448919639.db2.gz BINUVYNIIZMZAW-ZDUSSCGKSA-N 0 1 341.371 1.576 20 5 EDBDMN O=C(NCCc1ccccc1N1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000582067655 449003485 /nfs/dbraw/zinc/00/34/85/449003485.db2.gz CZIWFIOYLOQSMC-UHFFFAOYSA-N 0 1 345.359 1.127 20 5 EDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000592825028 449005784 /nfs/dbraw/zinc/00/57/84/449005784.db2.gz XYCNLUJNUDHEPS-CQSZACIVSA-N 0 1 340.405 1.789 20 5 EDBDMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593600100 449100582 /nfs/dbraw/zinc/10/05/82/449100582.db2.gz ZNLSTABLSBFAFX-WCQYABFASA-N 0 1 340.405 1.237 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCNC[C@H]1C(C)C ZINC000599891152 449101647 /nfs/dbraw/zinc/10/16/47/449101647.db2.gz ZJVGVYCXXPVCLJ-AWEZNQCLSA-N 0 1 348.403 1.607 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000593011345 449101770 /nfs/dbraw/zinc/10/17/70/449101770.db2.gz PGBRXAYWJVORPR-CMPLNLGQSA-N 0 1 335.360 1.467 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000590352497 449136387 /nfs/dbraw/zinc/13/63/87/449136387.db2.gz NTHDOQOJSSWGBI-CYBMUJFWSA-N 0 1 334.376 1.317 20 5 EDBDMN CN(CCN1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593666274 449138298 /nfs/dbraw/zinc/13/82/98/449138298.db2.gz ORVKLXNANLSJTQ-UHFFFAOYSA-N 0 1 341.433 1.842 20 5 EDBDMN Cc1nccc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000611185716 449208572 /nfs/dbraw/zinc/20/85/72/449208572.db2.gz RFFGWCBEQFZUSG-CQSZACIVSA-N 0 1 343.387 1.735 20 5 EDBDMN CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000590552383 449186167 /nfs/dbraw/zinc/18/61/67/449186167.db2.gz JFBYWHMFXWPGDH-UHFFFAOYSA-N 0 1 329.320 1.910 20 5 EDBDMN O=C(NC[C@@]1(CO)CCc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593778224 449192235 /nfs/dbraw/zinc/19/22/35/449192235.db2.gz NHUVONFNEBSSIM-GOSISDBHSA-N 0 1 342.351 1.907 20 5 EDBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc[nH]3)CC2)c2ncccc12 ZINC000593507415 449314993 /nfs/dbraw/zinc/31/49/93/449314993.db2.gz FDEOYUSQODKZNJ-UHFFFAOYSA-N 0 1 339.359 1.583 20 5 EDBDMN Cn1cc(CCCN2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000590962241 449361313 /nfs/dbraw/zinc/36/13/13/449361313.db2.gz OUFHSPTUVTXKBF-UHFFFAOYSA-N 0 1 330.392 1.478 20 5 EDBDMN CC1(N2CCOCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600410791 449361927 /nfs/dbraw/zinc/36/19/27/449361927.db2.gz MPLMTKCNEFCNOC-UHFFFAOYSA-N 0 1 347.415 1.851 20 5 EDBDMN CC(C)(CN1CCOCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602133255 449372028 /nfs/dbraw/zinc/37/20/28/449372028.db2.gz QSPXSEGNSHJVNV-UHFFFAOYSA-N 0 1 348.403 1.233 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)nc1 ZINC000593544123 449337183 /nfs/dbraw/zinc/33/71/83/449337183.db2.gz QOVIQTNEGLNXEE-ZDUSSCGKSA-N 0 1 340.405 1.239 20 5 EDBDMN C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000611704706 449388401 /nfs/dbraw/zinc/38/84/01/449388401.db2.gz AGUYRZMRFXELHF-GFCCVEGCSA-N 0 1 331.376 1.918 20 5 EDBDMN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596307843 449467635 /nfs/dbraw/zinc/46/76/35/449467635.db2.gz PJXNTUVSSZKLTK-NSHDSACASA-N 0 1 342.421 1.527 20 5 EDBDMN CNc1c(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000594387394 449486291 /nfs/dbraw/zinc/48/62/91/449486291.db2.gz WDUUBHUEJMAHQC-LLVKDONJSA-N 0 1 346.347 1.536 20 5 EDBDMN 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CC(C)C[N@H+]1CC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820092459 593790212 /nfs/dbraw/zinc/79/02/12/593790212.db2.gz MFMTYYBXIAFVTF-LLVKDONJSA-N 0 1 346.395 1.560 20 5 EDBDMN CC(C)C[N@@H+]1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820092459 593790213 /nfs/dbraw/zinc/79/02/13/593790213.db2.gz MFMTYYBXIAFVTF-LLVKDONJSA-N 0 1 346.395 1.560 20 5 EDBDMN CC(C)C[N@H+]1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820092459 593790214 /nfs/dbraw/zinc/79/02/14/593790214.db2.gz MFMTYYBXIAFVTF-LLVKDONJSA-N 0 1 346.395 1.560 20 5 EDBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000820723591 593872391 /nfs/dbraw/zinc/87/23/91/593872391.db2.gz WDYLCYNIYNQYHR-UHFFFAOYSA-N 0 1 347.165 1.890 20 5 EDBDMN CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908106 593920175 /nfs/dbraw/zinc/92/01/75/593920175.db2.gz JHWVGHOOHYPFJC-JTQLQIEISA-N 0 1 332.368 1.456 20 5 EDBDMN CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908106 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ODZRUPOJWOMQKV-LLVKDONJSA-N 0 1 333.348 1.800 20 5 EDBDMN Cc1nn(C[N@H+]2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000833921019 594965998 /nfs/dbraw/zinc/96/59/98/594965998.db2.gz PZQLGKREJCGCCD-XQQFMLRXSA-N 0 1 337.380 1.734 20 5 EDBDMN Cn1ccnc1[C@H]([NH2+]CC1CN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833955605 594973713 /nfs/dbraw/zinc/97/37/13/594973713.db2.gz SKBQACMUSRMLJW-CQSZACIVSA-N 0 1 345.359 1.617 20 5 EDBDMN CC[C@H](C)N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000837004734 595022969 /nfs/dbraw/zinc/02/29/69/595022969.db2.gz AUUIHQFAPMYBNT-ZDUSSCGKSA-N 0 1 345.403 1.887 20 5 EDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1 ZINC000842481476 595117580 /nfs/dbraw/zinc/11/75/80/595117580.db2.gz LNYMROZEFWARMN-SNVBAGLBSA-N 0 1 333.797 1.669 20 5 EDBDMN CS(=O)(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846034866 595127951 /nfs/dbraw/zinc/12/79/51/595127951.db2.gz QYEMFDJILSCRCO-SNVBAGLBSA-N 0 1 333.797 1.372 20 5 EDBDMN CC(C)(C(=O)OCc1cc(O)ccc1[N+](=O)[O-])S(=O)(=O)C1CC1 ZINC000837712006 595175134 /nfs/dbraw/zinc/17/51/34/595175134.db2.gz MJRLXMVJWYLGTN-UHFFFAOYSA-N 0 1 343.357 1.699 20 5 EDBDMN Nc1nc(C2CC2)ncc1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837715681 595176356 /nfs/dbraw/zinc/17/63/56/595176356.db2.gz FMAVNXZLWALWEP-UHFFFAOYSA-N 0 1 330.300 1.907 20 5 EDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000843796654 595188876 /nfs/dbraw/zinc/18/88/76/595188876.db2.gz UDYUWQXLLZVPGJ-OAHLLOKOSA-N 0 1 348.359 1.978 20 5 EDBDMN O=C([O-])CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000846272941 595193378 /nfs/dbraw/zinc/19/33/78/595193378.db2.gz QKBXWPMBUBMBGV-LSDHHAIUSA-N 0 1 338.360 1.584 20 5 EDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000846526296 595267762 /nfs/dbraw/zinc/26/77/62/595267762.db2.gz ASPZNGLHYOJFJC-ZZXKWVIFSA-N 0 1 342.359 1.071 20 5 EDBDMN Cc1cc(Cl)c(S(=O)(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000867438249 595311574 /nfs/dbraw/zinc/31/15/74/595311574.db2.gz AVWOFCYOKGUQTD-UHFFFAOYSA-N 0 1 347.824 1.929 20 5 EDBDMN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000847090253 595361926 /nfs/dbraw/zinc/36/19/26/595361926.db2.gz IQBSYRLKEDMYHE-JQWIXIFHSA-N 0 1 348.315 1.123 20 5 EDBDMN Cc1nn(CN2CC[C@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521954 595782572 /nfs/dbraw/zinc/78/25/72/595782572.db2.gz IHRGVUGFGXPFCG-LBPRGKRZSA-N 0 1 342.363 1.219 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOCCS(C)(=O)=O ZINC000850444177 595834898 /nfs/dbraw/zinc/83/48/98/595834898.db2.gz HLKDPRYZZUDWHE-NSHDSACASA-N 0 1 346.405 1.315 20 5 EDBDMN COC(=O)/C=C/c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858867584 595909725 /nfs/dbraw/zinc/90/97/25/595909725.db2.gz QANWAUQKOLPVSZ-LQPUYASZSA-N 0 1 335.360 1.260 20 5 EDBDMN C[NH+]1CCC(O[N-]C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000854357441 596050809 /nfs/dbraw/zinc/05/08/09/596050809.db2.gz FVXWKQHEWAPLSR-UHFFFAOYSA-N 0 1 329.303 1.558 20 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337.351 1.048 20 5 EDBDMN O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012737 701054072 /nfs/dbraw/zinc/05/40/72/701054072.db2.gz KRCAUZHWLOMIKF-HUUCEWRRSA-N 0 1 349.362 1.094 20 5 EDBDMN CC(C)(F)C(=O)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944340804 701710053 /nfs/dbraw/zinc/71/00/53/701710053.db2.gz RSLVDLONNMGPQW-VXGBXAGGSA-N 0 1 341.383 1.241 20 5 EDBDMN Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001004291946 704207000 /nfs/dbraw/zinc/20/70/00/704207000.db2.gz AXSBYURLCYVEQT-HUUCEWRRSA-N 0 1 331.372 1.157 20 5 EDBDMN COC[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000921901650 708848638 /nfs/dbraw/zinc/84/86/38/708848638.db2.gz QVJLYOUWKJMQNA-SNVBAGLBSA-N 0 1 334.369 1.931 20 5 EDBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cscc1Cl ZINC001002565835 709113962 /nfs/dbraw/zinc/11/39/62/709113962.db2.gz YGIOHOULEXIZCY-LDYMZIIASA-N 0 1 343.792 1.255 20 5 EDBDMN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCc3ccccc3C2)c(F)c1 ZINC000413055041 304052895 /nfs/dbraw/zinc/05/28/95/304052895.db2.gz SGHIYUVYRVZWLR-OAHLLOKOSA-N 0 1 346.362 1.960 20 5 EDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000058497028 138160297 /nfs/dbraw/zinc/16/02/97/138160297.db2.gz SWXOFXVCZHBXLA-UHFFFAOYSA-N 0 1 347.352 1.947 20 5 EDBDMN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187014407 236095045 /nfs/dbraw/zinc/09/50/45/236095045.db2.gz DMOZHCBHJXLADM-IJLUTSLNSA-N 0 1 336.392 1.792 20 5 EDBDMN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355383495 283357996 /nfs/dbraw/zinc/35/79/96/283357996.db2.gz SLUCQKXIIXKGFI-OAHLLOKOSA-N 0 1 341.323 1.353 20 5 EDBDMN CCc1ccc(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000564960167 306371452 /nfs/dbraw/zinc/37/14/52/306371452.db2.gz CIOGUHWVDDNSAR-GHMZBOCLSA-N 0 1 327.406 1.528 20 5 EDBDMN COC(=O)c1cn([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000359973920 201120849 /nfs/dbraw/zinc/12/08/49/201120849.db2.gz 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O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCCC1 ZINC000369491886 155057225 /nfs/dbraw/zinc/05/72/25/155057225.db2.gz SVEZHDDSQWCCIW-UHFFFAOYSA-N 0 1 335.408 1.831 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000369571959 155094218 /nfs/dbraw/zinc/09/42/18/155094218.db2.gz ZSIJWUYRAIQMLF-CHWSQXEVSA-N 0 1 337.763 1.176 20 5 EDBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000374054551 157124588 /nfs/dbraw/zinc/12/45/88/157124588.db2.gz POUGGHIZNUQBFG-GFCCVEGCSA-N 0 1 344.375 1.921 20 5 EDBDMN CCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000374659124 157358297 /nfs/dbraw/zinc/35/82/97/157358297.db2.gz CYNNNQXPRMBMLE-PSLIRLAXSA-N 0 1 336.348 1.296 20 5 EDBDMN Cc1[nH]nc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000408077926 158259195 /nfs/dbraw/zinc/25/91/95/158259195.db2.gz FBQCXMXSTGKPNW-UHFFFAOYSA-N 0 1 349.391 1.491 20 5 EDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000408348060 158337648 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5 EDBDMN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446370486 305263925 /nfs/dbraw/zinc/26/39/25/305263925.db2.gz SGKBYWUXBOBCLC-BETUJISGSA-N 0 1 347.371 1.261 20 5 EDBDMN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451299036 305337429 /nfs/dbraw/zinc/33/74/29/305337429.db2.gz YOTKKYQPLSCREI-SNVBAGLBSA-N 0 1 343.343 1.336 20 5 EDBDMN O=C(NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452396163 305397743 /nfs/dbraw/zinc/39/77/43/305397743.db2.gz XWPSTNCBBIZONW-GFCCVEGCSA-N 0 1 341.795 1.825 20 5 EDBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccnn1C ZINC000459716253 305524671 /nfs/dbraw/zinc/52/46/71/305524671.db2.gz PWRHAMCZUPVEHW-RISCZKNCSA-N 0 1 347.375 1.369 20 5 EDBDMN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000521267683 305787560 /nfs/dbraw/zinc/78/75/60/305787560.db2.gz WIHCPGGBBPKQNC-NEPJUHHUSA-N 0 1 327.768 1.936 20 5 EDBDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000525149259 305822624 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O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c(F)c1 ZINC000055219385 441630586 /nfs/dbraw/zinc/63/05/86/441630586.db2.gz MZBAXVACGNSKNF-UHFFFAOYSA-N 0 1 343.380 1.639 20 5 EDBDMN Cc1nn(C)c(NCc2ccc(N3CCN(C)CC3)nc2)c1[N+](=O)[O-] ZINC000076579840 441659852 /nfs/dbraw/zinc/65/98/52/441659852.db2.gz ZGEXKLSMXUYYGA-UHFFFAOYSA-N 0 1 345.407 1.396 20 5 EDBDMN Cc1nn(C)c(C(=O)NCc2ccc(F)c(CN(C)C)c2)c1[N+](=O)[O-] ZINC000115415949 441736795 /nfs/dbraw/zinc/73/67/95/441736795.db2.gz UURGBNUBYQZMFI-UHFFFAOYSA-N 0 1 349.366 1.767 20 5 EDBDMN CC(C)n1c(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]c1=S ZINC000068447051 441800186 /nfs/dbraw/zinc/80/01/86/441800186.db2.gz UBYMOUVTFUJEBN-MNOVXSKESA-N 0 1 339.421 1.893 20 5 EDBDMN C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000068961088 441874604 /nfs/dbraw/zinc/87/46/04/441874604.db2.gz FQFHDJCZVZGMIA-ZDUSSCGKSA-N 0 1 341.433 1.994 20 5 EDBDMN CCc1nn(C)c(NC[C@@H]2CN(CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000094132326 441906739 /nfs/dbraw/zinc/90/67/39/441906739.db2.gz LDTGAYMKDVVLGV-GFCCVEGCSA-N 0 1 325.413 1.659 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000123737987 441897743 /nfs/dbraw/zinc/89/77/43/441897743.db2.gz VAJVPDVLDXGDJU-SECBINFHSA-N 0 1 332.320 1.146 20 5 EDBDMN CCN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000162113822 442064875 /nfs/dbraw/zinc/06/48/75/442064875.db2.gz RHPYBWDOAKVVBT-CQSZACIVSA-N 0 1 327.406 1.499 20 5 EDBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163031857 442140106 /nfs/dbraw/zinc/14/01/06/442140106.db2.gz AWKDRSCHYJRCKD-SNVBAGLBSA-N 0 1 349.734 1.507 20 5 EDBDMN COc1cc(C(=O)NCCN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000079998859 442105703 /nfs/dbraw/zinc/10/57/03/442105703.db2.gz YYVQDVSNBLJYTC-UHFFFAOYSA-N 0 1 337.376 1.444 20 5 EDBDMN CCOC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc([N+](=O)[O-])c1 ZINC000163978097 442187205 /nfs/dbraw/zinc/18/72/05/442187205.db2.gz ASWLNCBFGWZHDF-OKILXGFUSA-N 0 1 347.371 1.738 20 5 EDBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000164183476 442192832 /nfs/dbraw/zinc/19/28/32/442192832.db2.gz NCLSZBPXHROCQD-LLVKDONJSA-N 0 1 344.375 1.668 20 5 EDBDMN Cc1c(NS(=O)(=O)c2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000129772895 442331557 /nfs/dbraw/zinc/33/15/57/442331557.db2.gz KJRXNWVRVPHOIA-UHFFFAOYSA-N 0 1 335.341 1.803 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000179683405 442489743 /nfs/dbraw/zinc/48/97/43/442489743.db2.gz PMPNHXCFUQYWTO-LBPRGKRZSA-N 0 1 337.361 1.629 20 5 EDBDMN COc1c(F)cc(S(=O)(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000186256817 442497742 /nfs/dbraw/zinc/49/77/42/442497742.db2.gz ZTCAXFHLHPRMGT-UHFFFAOYSA-N 0 1 347.368 1.115 20 5 EDBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000172823948 442549454 /nfs/dbraw/zinc/54/94/54/442549454.db2.gz DESPCQGHQWUNNN-AWEZNQCLSA-N 0 1 338.456 1.804 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000172982626 442577678 /nfs/dbraw/zinc/57/76/78/442577678.db2.gz APTYQUAXNJIOEZ-AWEZNQCLSA-N 0 1 335.404 1.990 20 5 EDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1[N+](=O)[O-] ZINC000179077697 442567239 /nfs/dbraw/zinc/56/72/39/442567239.db2.gz HAOMEBXOVHAAJD-LBPRGKRZSA-N 0 1 334.332 1.995 20 5 EDBDMN O=C(NCCNc1ncc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000136042382 442647910 /nfs/dbraw/zinc/64/79/10/442647910.db2.gz PTLASOKGBWCNII-UHFFFAOYSA-N 0 1 345.146 1.862 20 5 EDBDMN Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000188311220 442736998 /nfs/dbraw/zinc/73/69/98/442736998.db2.gz HLQDEGRBANHWCW-UHFFFAOYSA-N 0 1 348.359 1.801 20 5 EDBDMN COC(=O)c1cc(NCCN2CCCOCC2)cc(C)c1[N+](=O)[O-] ZINC000188499192 442756768 /nfs/dbraw/zinc/75/67/68/442756768.db2.gz OYGSVLMXJNIDPN-UHFFFAOYSA-N 0 1 337.376 1.824 20 5 EDBDMN CCOC(=O)c1cc(NCCN2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188501794 442757402 /nfs/dbraw/zinc/75/74/02/442757402.db2.gz WJVXSZVZSHDXNF-UHFFFAOYSA-N 0 1 337.376 1.906 20 5 EDBDMN COCCN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267986398 442808134 /nfs/dbraw/zinc/80/81/34/442808134.db2.gz YFNOULJCSGTAES-UHFFFAOYSA-N 0 1 335.404 1.708 20 5 EDBDMN CCCc1[nH]nc(C(=O)N2CCN(CC(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000189205841 442897427 /nfs/dbraw/zinc/89/74/27/442897427.db2.gz ZRWNAPLFUPRWLG-UHFFFAOYSA-N 0 1 337.380 1.211 20 5 EDBDMN CC[C@]1(CO)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189673677 442992584 /nfs/dbraw/zinc/99/25/84/442992584.db2.gz VNLJLMOWTAHNIJ-QGZVFWFLSA-N 0 1 333.388 1.721 20 5 EDBDMN CCc1ccc([C@H](COC)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000184779175 443075508 /nfs/dbraw/zinc/07/55/08/443075508.db2.gz QZMOIJPWNPBXHX-OCCSQVGLSA-N 0 1 338.364 1.285 20 5 EDBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000184819142 443081383 /nfs/dbraw/zinc/08/13/83/443081383.db2.gz RKXLJSPRUSLKQP-GFCCVEGCSA-N 0 1 335.360 1.095 20 5 EDBDMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255636981 443105704 /nfs/dbraw/zinc/10/57/04/443105704.db2.gz CZCGZPSQMRLQLU-ZPIQOJFGSA-N 0 1 333.388 1.523 20 5 EDBDMN COc1ccc(NC(=O)CN(C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185348822 443187544 /nfs/dbraw/zinc/18/75/44/443187544.db2.gz QDDQSXDTQJTXQK-GFCCVEGCSA-N 0 1 339.392 1.881 20 5 EDBDMN COCCOCCS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000269112179 443201725 /nfs/dbraw/zinc/20/17/25/443201725.db2.gz JRFYMBRNCBDCJX-UHFFFAOYSA-N 0 1 338.769 1.653 20 5 EDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000266697485 443211314 /nfs/dbraw/zinc/21/13/14/443211314.db2.gz XERSMNHAKAAGRR-OLZOCXBDSA-N 0 1 341.433 1.917 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000413411179 319268670 /nfs/dbraw/zinc/26/86/70/319268670.db2.gz KPIIDPDEDKJHTR-UHFFFAOYSA-N 0 1 334.336 1.804 20 5 EDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCO[C@H](CF)C1 ZINC000413857538 319293904 /nfs/dbraw/zinc/29/39/04/319293904.db2.gz DULQXUJKDKUCQO-GFCCVEGCSA-N 0 1 334.307 1.795 20 5 EDBDMN Cc1cnn(C[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)c1 ZINC000272596901 443377577 /nfs/dbraw/zinc/37/75/77/443377577.db2.gz WUNDNXVRAIQRAM-OAHLLOKOSA-N 0 1 346.343 1.347 20 5 EDBDMN CCC[C@H]1CNCCN1C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000423501422 319779304 /nfs/dbraw/zinc/77/93/04/319779304.db2.gz CTJGGYJVIWZGHU-AWEZNQCLSA-N 0 1 349.387 1.986 20 5 EDBDMN C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000273375562 443568759 /nfs/dbraw/zinc/56/87/59/443568759.db2.gz YUBZMSQFPGDQKE-UHFFFAOYSA-N 0 1 337.376 1.219 20 5 EDBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280225081 443678034 /nfs/dbraw/zinc/67/80/34/443678034.db2.gz APQYRZNFAMXSHZ-QLJPJBMISA-N 0 1 345.359 1.903 20 5 EDBDMN O=C([C@@H]1CCCN1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000280249409 443682998 /nfs/dbraw/zinc/68/29/98/443682998.db2.gz NCVBMZSLWRFTQN-INIZCTEOSA-N 0 1 331.372 1.811 20 5 EDBDMN CC(C)OCCOC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000298364276 443754483 /nfs/dbraw/zinc/75/44/83/443754483.db2.gz ZTAUQPHDLFYBJV-OAHLLOKOSA-N 0 1 326.393 1.829 20 5 EDBDMN CNC(=O)[C@]1(C)CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000280859719 443760612 /nfs/dbraw/zinc/76/06/12/443760612.db2.gz INNQNHMWZMXNNI-OAHLLOKOSA-N 0 1 325.340 1.701 20 5 EDBDMN COC(=O)/C(=C\c1cc(O)ccc1[N+](=O)[O-])CN1CCC(=O)CC1 ZINC000276601094 443761536 /nfs/dbraw/zinc/76/15/36/443761536.db2.gz QXMNNCQLKZUSPT-WQLSENKSSA-N 0 1 334.328 1.522 20 5 EDBDMN COC(=O)[C@H](C)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCC1 ZINC000276751436 443813519 /nfs/dbraw/zinc/81/35/19/443813519.db2.gz MNQDDGAGPBIVTQ-VIFPVBQESA-N 0 1 338.364 1.998 20 5 EDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000285070305 443844974 /nfs/dbraw/zinc/84/49/74/443844974.db2.gz CNVAKXKJGORSIU-UONOGXRCSA-N 0 1 349.387 1.539 20 5 EDBDMN CN1CCO[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@@H]21 ZINC000285158505 443877756 /nfs/dbraw/zinc/87/77/56/443877756.db2.gz UFNUCMMMUONSFG-HOTGVXAUSA-N 0 1 346.387 1.389 20 5 EDBDMN Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002078 443925694 /nfs/dbraw/zinc/92/56/94/443925694.db2.gz CKCKFSJHADFVRV-CQSZACIVSA-N 0 1 343.387 1.641 20 5 EDBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002078 443925697 /nfs/dbraw/zinc/92/56/97/443925697.db2.gz CKCKFSJHADFVRV-CQSZACIVSA-N 0 1 343.387 1.641 20 5 EDBDMN COc1ccncc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567696345 321253800 /nfs/dbraw/zinc/25/38/00/321253800.db2.gz ZQOJLTIZBWJYKT-ZDUSSCGKSA-N 0 1 333.344 1.528 20 5 EDBDMN Cc1c(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000569068282 321317187 /nfs/dbraw/zinc/31/71/87/321317187.db2.gz WXRCNUBSRRDFSB-HNNXBMFYSA-N 0 1 334.376 1.508 20 5 EDBDMN CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000285864688 444133373 /nfs/dbraw/zinc/13/33/73/444133373.db2.gz ALSBHSUARWEXFD-LBPRGKRZSA-N 0 1 343.347 1.727 20 5 EDBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1N(C)C ZINC000301788569 444190534 /nfs/dbraw/zinc/19/05/34/444190534.db2.gz MFFVJBBRIWEDOJ-MFKMUULPSA-N 0 1 327.406 1.385 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000302104756 444204360 /nfs/dbraw/zinc/20/43/60/444204360.db2.gz RMZOZEDUZBIRLA-NWDGAFQWSA-N 0 1 337.376 1.273 20 5 EDBDMN Cc1nc([C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCO2)n[nH]1 ZINC000302910881 444231415 /nfs/dbraw/zinc/23/14/15/444231415.db2.gz ZIPNSPDXKJARHZ-CYBMUJFWSA-N 0 1 330.348 1.567 20 5 EDBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)n[nH]1 ZINC000297612868 444308803 /nfs/dbraw/zinc/30/88/03/444308803.db2.gz VTWKAKIHFGMTCT-MRVPVSSYSA-N 0 1 339.377 1.852 20 5 EDBDMN O=C([O-])C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000324821959 444358366 /nfs/dbraw/zinc/35/83/66/444358366.db2.gz WPBSNAAOYQWBCS-UHFFFAOYSA-N 0 1 330.344 1.740 20 5 EDBDMN CC(C)(O)CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000325531383 444367098 /nfs/dbraw/zinc/36/70/98/444367098.db2.gz QVKHFHYDPHOWFL-UHFFFAOYSA-N 0 1 331.376 1.431 20 5 EDBDMN Cc1ccc(C)c(S(=O)(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000331126522 444405652 /nfs/dbraw/zinc/40/56/52/444405652.db2.gz OXFYQBVNRZMGAM-UHFFFAOYSA-N 0 1 341.433 1.928 20 5 EDBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000331623985 444480595 /nfs/dbraw/zinc/48/05/95/444480595.db2.gz OYICNPDJKLDXDG-VXGBXAGGSA-N 0 1 334.307 1.714 20 5 EDBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000341037377 444645268 /nfs/dbraw/zinc/64/52/68/444645268.db2.gz UWMDRLGSLCLKMN-UHFFFAOYSA-N 0 1 331.741 1.187 20 5 EDBDMN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)cc1 ZINC000344031703 444740214 /nfs/dbraw/zinc/74/02/14/444740214.db2.gz CUANVGKVBXKIDT-UBHSHLNASA-N 0 1 330.344 1.848 20 5 EDBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341266670 444753951 /nfs/dbraw/zinc/75/39/51/444753951.db2.gz BRUFENZAPOBGHW-UHFFFAOYSA-N 0 1 327.275 2.567 20 5 EDBDMN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)c1 ZINC000344069293 444763555 /nfs/dbraw/zinc/76/35/55/444763555.db2.gz QXEIXOBQMCEHMX-FPMFFAJLSA-N 0 1 330.344 1.848 20 5 EDBDMN C[C@@H]1CN(C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CCO1 ZINC000341726554 444973083 /nfs/dbraw/zinc/97/30/83/444973083.db2.gz HNVBRBRNWYACBJ-GFCCVEGCSA-N 0 1 348.403 1.383 20 5 EDBDMN Cc1n[nH]c(C(=O)NCc2ccc(CN(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000342996981 444996893 /nfs/dbraw/zinc/99/68/93/444996893.db2.gz WMRQEQBLUCIZMH-UHFFFAOYSA-N 0 1 335.339 1.757 20 5 EDBDMN Cc1n[n-]c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000342996981 444996895 /nfs/dbraw/zinc/99/68/95/444996895.db2.gz WMRQEQBLUCIZMH-UHFFFAOYSA-N 0 1 335.339 1.757 20 5 EDBDMN C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000330589700 445050219 /nfs/dbraw/zinc/05/02/19/445050219.db2.gz NOGSSERPNKZBDS-STQMWFEESA-N 0 1 348.403 1.266 20 5 EDBDMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000330613448 445061712 /nfs/dbraw/zinc/06/17/12/445061712.db2.gz SCRKVCZIXJXVFF-QWRGUYRKSA-N 0 1 333.435 1.606 20 5 EDBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCOC1 ZINC000345347475 445183063 /nfs/dbraw/zinc/18/30/63/445183063.db2.gz VJNZZJPQOYJDIT-SSDOTTSWSA-N 0 1 341.172 1.969 20 5 EDBDMN Cn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000339637571 445155859 /nfs/dbraw/zinc/15/58/59/445155859.db2.gz FAQUJPOZHUPNHG-UHFFFAOYSA-N 0 1 344.375 1.332 20 5 EDBDMN Cc1sc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000343528588 445239152 /nfs/dbraw/zinc/23/91/52/445239152.db2.gz ALUGBYLIMDEBFQ-QWRGUYRKSA-N 0 1 345.446 1.870 20 5 EDBDMN Cc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)nn1[C@H](C)C1CC1 ZINC000343609694 445262030 /nfs/dbraw/zinc/26/20/30/445262030.db2.gz WXHVSLYVLJFSSO-SECBINFHSA-N 0 1 330.348 2.308 20 5 EDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000351903398 445365543 /nfs/dbraw/zinc/36/55/43/445365543.db2.gz XPVMFRYNGWODIX-GFCCVEGCSA-N 0 1 327.406 1.536 20 5 EDBDMN CCCCNC(=O)[C@H]1CSCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354766552 445375244 /nfs/dbraw/zinc/37/52/44/445375244.db2.gz CWQPNIIGGSCLKF-SECBINFHSA-N 0 1 341.393 1.058 20 5 EDBDMN COc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cccc1[N+](=O)[O-] ZINC000359737883 445399937 /nfs/dbraw/zinc/39/99/37/445399937.db2.gz VVBCSKCFYZFDQP-UHFFFAOYSA-N 0 1 342.315 1.979 20 5 EDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)c2ccsc2)c1 ZINC000352019507 445443733 /nfs/dbraw/zinc/44/37/33/445443733.db2.gz FPKMGNMLRZLOOP-HIFRSBDPSA-N 0 1 338.385 1.719 20 5 EDBDMN C[C@@]1(C(N)=O)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361573363 445826285 /nfs/dbraw/zinc/82/62/85/445826285.db2.gz ZXGKRSBMMDKAOH-OAHLLOKOSA-N 0 1 331.332 1.342 20 5 EDBDMN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000356571803 445864871 /nfs/dbraw/zinc/86/48/71/445864871.db2.gz FJMXYCDPPMJPGG-JTQLQIEISA-N 0 1 331.332 1.199 20 5 EDBDMN CCOC(=O)c1cc(C(=O)Nc2n[nH]c(CC)n2)cc([N+](=O)[O-])c1 ZINC000359171059 445997021 /nfs/dbraw/zinc/99/70/21/445997021.db2.gz OQMRZKMOKOERGG-UHFFFAOYSA-N 0 1 333.304 1.704 20 5 EDBDMN CCOC(=O)c1cc(C(=O)Nc2nc(CC)n[nH]2)cc([N+](=O)[O-])c1 ZINC000359171059 445997029 /nfs/dbraw/zinc/99/70/29/445997029.db2.gz OQMRZKMOKOERGG-UHFFFAOYSA-N 0 1 333.304 1.704 20 5 EDBDMN O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000373124580 446046361 /nfs/dbraw/zinc/04/63/61/446046361.db2.gz LQADVKWFFTXPLE-GJZGRUSLSA-N 0 1 349.387 1.674 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cn2)CC1 ZINC000356775449 446005764 /nfs/dbraw/zinc/00/57/64/446005764.db2.gz KNEFUOXQFUMRKH-UHFFFAOYSA-N 0 1 346.318 1.797 20 5 EDBDMN C[C@H](O)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000583631173 326108209 /nfs/dbraw/zinc/10/82/09/326108209.db2.gz LROSSFSBVNAJCH-JVLSTEMRSA-N 0 1 338.339 1.003 20 5 EDBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356853105 446072838 /nfs/dbraw/zinc/07/28/38/446072838.db2.gz NTZMODFHRFJTLK-YNEHKIRRSA-N 0 1 348.403 1.264 20 5 EDBDMN Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000365468781 446222701 /nfs/dbraw/zinc/22/27/01/446222701.db2.gz HXXQTWCACUKVQK-UHFFFAOYSA-N 0 1 345.359 1.433 20 5 EDBDMN CN1CCN([C@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370600177 446351505 /nfs/dbraw/zinc/35/15/05/446351505.db2.gz UNQANKDDILPBGC-HNNXBMFYSA-N 0 1 347.419 1.232 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000367016944 446465257 /nfs/dbraw/zinc/46/52/57/446465257.db2.gz MYERBKQEBZSYAQ-XPKDYRNWSA-N 0 1 329.356 1.603 20 5 EDBDMN CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000453012632 446537841 /nfs/dbraw/zinc/53/78/41/446537841.db2.gz DJFMHSXMDOKDBK-UHFFFAOYSA-N 0 1 326.334 1.276 20 5 EDBDMN Cc1noc(C)c1CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375179410 446626381 /nfs/dbraw/zinc/62/63/81/446626381.db2.gz XANCDRRDEAJFEB-CYBMUJFWSA-N 0 1 335.364 1.687 20 5 EDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000371346155 446793806 /nfs/dbraw/zinc/79/38/06/446793806.db2.gz VHQFXCGRQJACRW-JHJVBQTASA-N 0 1 342.298 1.853 20 5 EDBDMN Cc1cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368391099 446833285 /nfs/dbraw/zinc/83/32/85/446833285.db2.gz VLWFAOZLFBHGQC-JKSUJKDBSA-N 0 1 348.403 1.966 20 5 EDBDMN Cc1nc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000371409078 446837721 /nfs/dbraw/zinc/83/77/21/446837721.db2.gz YQOQPQLGHKLQMB-IJLUTSLNSA-N 0 1 336.735 1.902 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000420768228 446805978 /nfs/dbraw/zinc/80/59/78/446805978.db2.gz OAVPNLDGDFQECC-GFCCVEGCSA-N 0 1 343.405 1.318 20 5 EDBDMN CC(C)N1CCO[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000377238687 447014575 /nfs/dbraw/zinc/01/45/75/447014575.db2.gz AIKOVUXBHFIULI-INIZCTEOSA-N 0 1 335.404 1.705 20 5 EDBDMN O=C(CCCc1ccccc1)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000424954290 446973535 /nfs/dbraw/zinc/97/35/35/446973535.db2.gz QWPSQUWYBXOOMY-UHFFFAOYSA-N 0 1 345.359 1.187 20 5 EDBDMN CC(C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[nH]n1 ZINC000444082613 447073730 /nfs/dbraw/zinc/07/37/30/447073730.db2.gz NZHSZYLGTIYLHQ-UHFFFAOYSA-N 0 1 348.366 1.860 20 5 EDBDMN Cc1nnc2n1C[C@@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000372583837 447162404 /nfs/dbraw/zinc/16/24/04/447162404.db2.gz FZTNHZZDKAIQNQ-VIFPVBQESA-N 0 1 341.331 1.116 20 5 EDBDMN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000375977181 447186993 /nfs/dbraw/zinc/18/69/93/447186993.db2.gz XCCXZEQPCGHHPR-OCCSQVGLSA-N 0 1 343.343 1.258 20 5 EDBDMN CSc1nnc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000445725202 447188882 /nfs/dbraw/zinc/18/88/82/447188882.db2.gz OXZJOPZXRKKKEV-UHFFFAOYSA-N 0 1 346.415 1.647 20 5 EDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425500510 447194624 /nfs/dbraw/zinc/19/46/24/447194624.db2.gz MANYUOQQRVEONG-HUUCEWRRSA-N 0 1 347.375 1.263 20 5 EDBDMN Cc1nnc2n1CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000377557743 447204043 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Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874363117 597033840 /nfs/dbraw/zinc/03/38/40/597033840.db2.gz LRZKPNZMTGHLDF-HUUCEWRRSA-N 0 1 346.387 1.537 20 5 EDBDMN CNS(=O)(=O)C[C@H]1CCCN1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876790266 597341351 /nfs/dbraw/zinc/34/13/51/597341351.db2.gz XOMQZTJGOGFPBK-CYBMUJFWSA-N 0 1 341.433 1.725 20 5 EDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880189926 597869909 /nfs/dbraw/zinc/86/99/09/597869909.db2.gz SURLIXYNNATNJE-ZOBUZTSGSA-N 0 1 343.387 1.115 20 5 EDBDMN C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H]1NC(=O)[O-] ZINC000739190058 603396456 /nfs/dbraw/zinc/39/64/56/603396456.db2.gz NTICDIGHSKFDOJ-GXFFZTMASA-N 0 1 333.348 1.880 20 5 EDBDMN C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H]1NC(=O)[O-] ZINC000739190058 603396460 /nfs/dbraw/zinc/39/64/60/603396460.db2.gz NTICDIGHSKFDOJ-GXFFZTMASA-N 0 1 333.348 1.880 20 5 EDBDMN O=C(NCc1nc(C2CC2)no1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000918345510 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CC(C)(CNCc1cc([N+](=O)[O-])ccc1Cl)NS(C)(=O)=O ZINC000067005684 215102625 /nfs/dbraw/zinc/10/26/25/215102625.db2.gz ITKQOXGKQPHFDL-UHFFFAOYSA-N 0 1 335.813 1.666 20 5 EDBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496289434 299196322 /nfs/dbraw/zinc/19/63/22/299196322.db2.gz DBOIOFAHPNEWFH-QNWHQSFQSA-N 0 1 341.408 1.946 20 5 EDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2noc(C3CC3)n2)c1[N+](=O)[O-] ZINC000412941850 304045316 /nfs/dbraw/zinc/04/53/16/304045316.db2.gz BVYMKSQFERPVSU-UHFFFAOYSA-N 0 1 334.336 1.803 20 5 EDBDMN C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+](C)CC1 ZINC000184038247 235290364 /nfs/dbraw/zinc/29/03/64/235290364.db2.gz BBTVNPOOKQHBON-VIFPVBQESA-N 0 1 342.783 1.528 20 5 EDBDMN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N1CCN(C)CC1 ZINC000154686532 138520380 /nfs/dbraw/zinc/52/03/80/138520380.db2.gz LFXJNHLNAOYTOZ-LBPRGKRZSA-N 0 1 338.383 1.029 20 5 EDBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264545620 283321550 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CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893227340 590721235 /nfs/dbraw/zinc/72/12/35/590721235.db2.gz XCZOFEKTTGREHS-GFCCVEGCSA-N 0 1 347.824 1.762 20 5 EDBDMN C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000892282505 590911636 /nfs/dbraw/zinc/91/16/36/590911636.db2.gz UFWNUEWDOILOJD-LBPRGKRZSA-N 0 1 347.394 1.752 20 5 EDBDMN COC(=O)c1cnc(N2CCN(C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895102495 591587518 /nfs/dbraw/zinc/58/75/18/591587518.db2.gz WRNLODDBPQYOLO-ZDUSSCGKSA-N 0 1 336.392 1.943 20 5 EDBDMN Cc1ccc(CNCCS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000897832171 591688623 /nfs/dbraw/zinc/68/86/23/591688623.db2.gz HRFBPPKICSCYGS-UHFFFAOYSA-N 0 1 327.406 1.418 20 5 EDBDMN O=C([N-][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000900476204 592035445 /nfs/dbraw/zinc/03/54/45/592035445.db2.gz CMJOJMIZXDWXAX-XXILOJSOSA-N 0 1 327.287 1.576 20 5 EDBDMN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000900789349 592124278 /nfs/dbraw/zinc/12/42/78/592124278.db2.gz FXVTZPGYTQKRBU-RDJZCZTQSA-N 0 1 335.404 1.489 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNC[C@H]1CCOC ZINC000904486817 592271758 /nfs/dbraw/zinc/27/17/58/592271758.db2.gz XTYZCBZWSBZNRX-CQSZACIVSA-N 0 1 336.392 1.999 20 5 EDBDMN Nc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000904931431 592350593 /nfs/dbraw/zinc/35/05/93/592350593.db2.gz KJDWMNGWDUCJOO-GZMMTYOYSA-N 0 1 332.320 1.158 20 5 EDBDMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000103162164 593207513 /nfs/dbraw/zinc/20/75/13/593207513.db2.gz RKSMHKZTZUKUCM-UHFFFAOYSA-N 0 1 347.824 1.965 20 5 EDBDMN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839573244 593341378 /nfs/dbraw/zinc/34/13/78/593341378.db2.gz AKFJSRPDUFMVIY-YUSALJHKSA-N 0 1 348.277 1.227 20 5 EDBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000839697103 593365212 /nfs/dbraw/zinc/36/52/12/593365212.db2.gz QKXFBHHKUIHKBW-XXILOJSOSA-N 0 1 343.177 1.998 20 5 EDBDMN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839695145 593365425 /nfs/dbraw/zinc/36/54/25/593365425.db2.gz ZZFLADQMHUHOIM-HBNTYKKESA-N 0 1 326.353 1.427 20 5 EDBDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000839707264 593372067 /nfs/dbraw/zinc/37/20/67/593372067.db2.gz AQBLCWPYZXUPPY-IUIKQTSFSA-N 0 1 328.372 1.893 20 5 EDBDMN COC(=O)c1ccccc1CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839775912 593381913 /nfs/dbraw/zinc/38/19/13/593381913.db2.gz IKAQOKLZOYJRIG-HZPDHXFCSA-N 0 1 346.383 1.920 20 5 EDBDMN Cc1cc(F)cc(C(=O)N[C@H](CO)CN2CCCCC2)c1[N+](=O)[O-] ZINC000840455316 594006190 /nfs/dbraw/zinc/00/61/90/594006190.db2.gz YCTDPSYDPOKDPF-ZDUSSCGKSA-N 0 1 339.367 1.619 20 5 EDBDMN CC(C)(CCC(=O)NCC1(N2CCOCC2)CCCCC1)[N+](=O)[O-] ZINC000822211082 594010911 /nfs/dbraw/zinc/01/09/11/594010911.db2.gz GAAHMKRMFNLCPS-UHFFFAOYSA-N 0 1 341.452 1.973 20 5 EDBDMN O=C(c1cccc(F)c1O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000822243453 594017069 /nfs/dbraw/zinc/01/70/69/594017069.db2.gz QPHWYXOAPTTXPR-UHFFFAOYSA-N 0 1 346.318 1.797 20 5 EDBDMN Cn1cc(CN2CCCN(C=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000827876678 594295130 /nfs/dbraw/zinc/29/51/30/594295130.db2.gz ANHUAZTVNXYZSZ-UHFFFAOYSA-N 0 1 343.387 1.659 20 5 EDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000828019761 594323149 /nfs/dbraw/zinc/32/31/49/594323149.db2.gz CEEKCKJUBLMYGI-MRXNPFEDSA-N 0 1 333.344 1.281 20 5 EDBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000828030837 594325794 /nfs/dbraw/zinc/32/57/94/594325794.db2.gz HYZWHUODYHHFBC-BXKDBHETSA-N 0 1 333.348 1.747 20 5 EDBDMN C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(=O)[O-] ZINC000828462728 594427177 /nfs/dbraw/zinc/42/71/77/594427177.db2.gz MGHBNOLDAUXJEO-ZWNOBZJWSA-N 0 1 331.332 1.463 20 5 EDBDMN COCCN1[C@H](C)CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000826629221 594543126 /nfs/dbraw/zinc/54/31/26/594543126.db2.gz NHFKHLSVONLOGO-BETUJISGSA-N 0 1 333.392 1.788 20 5 EDBDMN COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832394026 594747173 /nfs/dbraw/zinc/74/71/73/594747173.db2.gz MBCFJCLKZZNROR-ONGXEEELSA-N 0 1 337.332 1.194 20 5 EDBDMN COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832394026 594747174 /nfs/dbraw/zinc/74/71/74/594747174.db2.gz MBCFJCLKZZNROR-ONGXEEELSA-N 0 1 337.332 1.194 20 5 EDBDMN CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000840671457 594807871 /nfs/dbraw/zinc/80/78/71/594807871.db2.gz VHVBOCWBPFYVKU-BXKDBHETSA-N 0 1 332.312 1.307 20 5 EDBDMN CC(C)[C@@H](NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840672810 594808261 /nfs/dbraw/zinc/80/82/61/594808261.db2.gz QNQWJFJPRXCVRH-UMVBOHGHSA-N 0 1 338.335 1.847 20 5 EDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000833628278 594891058 /nfs/dbraw/zinc/89/10/58/594891058.db2.gz FKTIABUAHNHCLY-LLVKDONJSA-N 0 1 325.340 1.715 20 5 EDBDMN C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841548053 594920424 /nfs/dbraw/zinc/92/04/24/594920424.db2.gz DRQGFTNRALFRQE-LLVKDONJSA-N 0 1 345.396 1.744 20 5 EDBDMN C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841548053 594920428 /nfs/dbraw/zinc/92/04/28/594920428.db2.gz DRQGFTNRALFRQE-LLVKDONJSA-N 0 1 345.396 1.744 20 5 EDBDMN O=C([O-])[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000833770459 594925922 /nfs/dbraw/zinc/92/59/22/594925922.db2.gz GUQXULVXAIOVKS-ZDUSSCGKSA-N 0 1 328.752 1.906 20 5 EDBDMN Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833920004 594965627 /nfs/dbraw/zinc/96/56/27/594965627.db2.gz CRQRFXJEZPQARI-CHWSQXEVSA-N 0 1 337.380 1.912 20 5 EDBDMN Cc1nn(C[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833920004 594965628 /nfs/dbraw/zinc/96/56/28/594965628.db2.gz CRQRFXJEZPQARI-CHWSQXEVSA-N 0 1 337.380 1.912 20 5 EDBDMN O=C([O-])NC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834220568 595059715 /nfs/dbraw/zinc/05/97/15/595059715.db2.gz LYZWWSFTWHIYGT-RYUDHWBXSA-N 0 1 339.348 1.067 20 5 EDBDMN O=C(Cc1ccccc1Cl)NCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842297733 595070283 /nfs/dbraw/zinc/07/02/83/595070283.db2.gz JDSNAOGKLBNDMW-DGCLKSJQSA-N 0 1 340.763 1.597 20 5 EDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@]12CCC(=O)N1CCS2 ZINC000837385337 595097111 /nfs/dbraw/zinc/09/71/11/595097111.db2.gz XJVCMIDYAAWUML-AWEZNQCLSA-N 0 1 338.341 1.409 20 5 EDBDMN O=C(CCCC[NH+]1CCOCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837695224 595170625 /nfs/dbraw/zinc/17/06/25/595170625.db2.gz GVRHGNVKEYVDHU-UHFFFAOYSA-N 0 1 338.360 1.846 20 5 EDBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000846287249 595198964 /nfs/dbraw/zinc/19/89/64/595198964.db2.gz MXACRGBTPHTZKT-BLLLJJGKSA-N 0 1 336.344 1.527 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2NCCc3ccccc32)nc1 ZINC000850587643 595539198 /nfs/dbraw/zinc/53/91/98/595539198.db2.gz FONISTCBPZKWES-AWEZNQCLSA-N 0 1 348.384 1.155 20 5 EDBDMN COCc1nc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000855522952 595746494 /nfs/dbraw/zinc/74/64/94/595746494.db2.gz XHEXANAXFQCRKW-UHFFFAOYSA-N 0 1 325.712 1.443 20 5 EDBDMN COCc1nnc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000855522952 595746497 /nfs/dbraw/zinc/74/64/97/595746497.db2.gz XHEXANAXFQCRKW-UHFFFAOYSA-N 0 1 325.712 1.443 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861344418 595951459 /nfs/dbraw/zinc/95/14/59/595951459.db2.gz PAIZBOWFZFFZGG-BLLLJJGKSA-N 0 1 338.360 1.869 20 5 EDBDMN CCn1ncc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000859253081 596018662 /nfs/dbraw/zinc/01/86/62/596018662.db2.gz ZAIQFKVDSJRGIW-UHFFFAOYSA-N 0 1 345.768 1.338 20 5 EDBDMN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000857412549 596227382 /nfs/dbraw/zinc/22/73/82/596227382.db2.gz AISHCAGCSVRXBO-DSZLRUIBSA-N 0 1 339.392 1.557 20 5 EDBDMN CCN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000862711145 596394653 /nfs/dbraw/zinc/39/46/53/596394653.db2.gz ZLCPOPGEFCPXLE-UHFFFAOYSA-N 0 1 341.368 1.613 20 5 EDBDMN CCc1nn(C)c(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000866285061 596846776 /nfs/dbraw/zinc/84/67/76/596846776.db2.gz WJJKWSUSLYPVAA-GFCCVEGCSA-N 0 1 349.313 1.538 20 5 EDBDMN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000125547123 596949651 /nfs/dbraw/zinc/94/96/51/596949651.db2.gz SLUJTDKQGYLXGW-UHFFFAOYSA-N 0 1 348.262 1.713 20 5 EDBDMN Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874366387 597038816 /nfs/dbraw/zinc/03/88/16/597038816.db2.gz HSHYVFQDGHSQFW-GJZGRUSLSA-N 0 1 346.387 1.537 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000874437728 597078890 /nfs/dbraw/zinc/07/88/90/597078890.db2.gz AJSPBXGIXXWRFZ-CYBMUJFWSA-N 0 1 334.420 1.577 20 5 EDBDMN CCN1CCN(c2cc(N(C)C(=O)C(F)F)cc([N+](=O)[O-])c2)CC1 ZINC000876229077 597145971 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IEKSNYSIJWLCIT-VHSXEESVSA-N 0 1 332.368 1.455 20 5 EDBDMN C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821581303 593867905 /nfs/dbraw/zinc/86/79/05/593867905.db2.gz IEKSNYSIJWLCIT-VHSXEESVSA-N 0 1 332.368 1.455 20 5 EDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2[nH]cnc2cc1F ZINC000821621203 593883752 /nfs/dbraw/zinc/88/37/52/593883752.db2.gz JTIIGFRCJONBMW-UHFFFAOYSA-N 0 1 333.279 1.972 20 5 EDBDMN CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908107 593920013 /nfs/dbraw/zinc/92/00/13/593920013.db2.gz JHWVGHOOHYPFJC-SNVBAGLBSA-N 0 1 332.368 1.456 20 5 EDBDMN CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908107 593920015 /nfs/dbraw/zinc/92/00/15/593920015.db2.gz JHWVGHOOHYPFJC-SNVBAGLBSA-N 0 1 332.368 1.456 20 5 EDBDMN CC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821268130 594003369 /nfs/dbraw/zinc/00/33/69/594003369.db2.gz UEFDYSBHFVJMQO-JTQLQIEISA-N 0 1 332.368 1.456 20 5 EDBDMN CC[N@H+]1CCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821268130 594003372 /nfs/dbraw/zinc/00/33/72/594003372.db2.gz UEFDYSBHFVJMQO-JTQLQIEISA-N 0 1 332.368 1.456 20 5 EDBDMN CC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821268130 594003375 /nfs/dbraw/zinc/00/33/75/594003375.db2.gz UEFDYSBHFVJMQO-JTQLQIEISA-N 0 1 332.368 1.456 20 5 EDBDMN CC[N@H+]1CCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821268130 594003378 /nfs/dbraw/zinc/00/33/78/594003378.db2.gz UEFDYSBHFVJMQO-JTQLQIEISA-N 0 1 332.368 1.456 20 5 EDBDMN CC[C@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000840457454 594007046 /nfs/dbraw/zinc/00/70/46/594007046.db2.gz RBICWPWSGRPZQZ-LALPHHSUSA-N 0 1 340.763 1.900 20 5 EDBDMN CN1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cn2)CC1 ZINC000822330357 594033332 /nfs/dbraw/zinc/03/33/32/594033332.db2.gz LNUMJQRIVPXICF-UHFFFAOYSA-N 0 1 335.408 1.607 20 5 EDBDMN C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000827768993 594275036 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QICAUPIFTBIFJY-LDYMZIIASA-N 0 1 341.249 1.890 20 5 EDBDMN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841164599 594861173 /nfs/dbraw/zinc/86/11/73/594861173.db2.gz UOSKNFGOKNZFNB-RKDXNWHRSA-N 0 1 338.263 1.584 20 5 EDBDMN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833559421 594873666 /nfs/dbraw/zinc/87/36/66/594873666.db2.gz OWSZGEJCKFARCZ-NSHDSACASA-N 0 1 341.795 1.825 20 5 EDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000833618687 594887452 /nfs/dbraw/zinc/88/74/52/594887452.db2.gz DJXPWTVNGFFPCI-LLPBQKLSSA-N 0 1 347.371 1.615 20 5 EDBDMN COC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000833708215 594912263 /nfs/dbraw/zinc/91/22/63/594912263.db2.gz OLQYQNYUAYXSDY-HNLSUCLVSA-N 0 1 348.355 1.946 20 5 EDBDMN Cc1c(C(=O)NCCCc2nc[nH]n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846647134 595292249 /nfs/dbraw/zinc/29/22/49/595292249.db2.gz YCKCVCKXBKTZOI-UHFFFAOYSA-N 0 1 334.292 1.292 20 5 EDBDMN C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000844872186 595405705 /nfs/dbraw/zinc/40/57/05/595405705.db2.gz KMXPFSOPYPNTTC-OJAKKHQRSA-N 0 1 334.376 1.639 20 5 EDBDMN Cn1cc(COC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000847785241 595483465 /nfs/dbraw/zinc/48/34/65/595483465.db2.gz KMLVGXRJYXOVMN-AWEZNQCLSA-N 0 1 328.344 1.584 20 5 EDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCc2ccccc2OC1 ZINC000849393454 595519314 /nfs/dbraw/zinc/51/93/14/595519314.db2.gz WZLHAZBJGURELO-LBPRGKRZSA-N 0 1 349.368 1.662 20 5 EDBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(OC)OC ZINC000849407691 595522043 /nfs/dbraw/zinc/52/20/43/595522043.db2.gz VQNBDQNLEAASSR-SECBINFHSA-N 0 1 336.341 1.410 20 5 EDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2NCCc3ccccc32)nc1 ZINC000850587644 595539225 /nfs/dbraw/zinc/53/92/25/595539225.db2.gz FONISTCBPZKWES-CQSZACIVSA-N 0 1 348.384 1.155 20 5 EDBDMN CC(=O)c1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858610309 595842238 /nfs/dbraw/zinc/84/22/38/595842238.db2.gz AVKZZMHGHDRQBV-UHFFFAOYSA-N 0 1 332.404 1.481 20 5 EDBDMN O=C(NCCCc1nc[nH]n1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853847877 595899692 /nfs/dbraw/zinc/89/96/92/595899692.db2.gz GZYZRYUBTWUXPS-UHFFFAOYSA-N 0 1 338.755 1.798 20 5 EDBDMN CC(C)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccn1 ZINC000858996642 595944622 /nfs/dbraw/zinc/94/46/22/595944622.db2.gz MFNAQUVGHACWMA-LBPRGKRZSA-N 0 1 339.377 1.399 20 5 EDBDMN COCC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000121768030 596510042 /nfs/dbraw/zinc/51/00/42/596510042.db2.gz MMZCKPSNMAELNF-TXEJJXNPSA-N 0 1 337.376 1.482 20 5 EDBDMN COCC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000121768030 596510044 /nfs/dbraw/zinc/51/00/44/596510044.db2.gz MMZCKPSNMAELNF-TXEJJXNPSA-N 0 1 337.376 1.482 20 5 EDBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000863313175 596547294 /nfs/dbraw/zinc/54/72/94/596547294.db2.gz RRJYJHPPGPSJOY-GIPNMCIBSA-N 0 1 327.743 1.839 20 5 EDBDMN Cc1ccnc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000866284247 596846103 /nfs/dbraw/zinc/84/61/03/596846103.db2.gz MWPUSMGVEGOWNH-LBPRGKRZSA-N 0 1 332.282 1.946 20 5 EDBDMN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124539517 597294687 /nfs/dbraw/zinc/29/46/87/597294687.db2.gz QNOQAFUNGHHEAG-MWLCHTKSSA-N 0 1 331.369 1.530 20 5 EDBDMN C[C@]12CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000877668470 597546409 /nfs/dbraw/zinc/54/64/09/597546409.db2.gz JESAHJFNKHSHJN-HUUCEWRRSA-N 0 1 337.763 1.733 20 5 EDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)CC3(O)CCCC3)CC2)cc1 ZINC000877914042 597563796 /nfs/dbraw/zinc/56/37/96/597563796.db2.gz YJRKXMYYERLWRO-QGZVFWFLSA-N 0 1 349.431 1.773 20 5 EDBDMN NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000882816673 598069829 /nfs/dbraw/zinc/06/98/29/598069829.db2.gz VDYXBSKIYGJALW-UHFFFAOYSA-N 0 1 338.433 1.967 20 5 EDBDMN O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000882834729 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JMDXFNDPNQGVLO-HUUCEWRRSA-N 0 1 349.431 1.729 20 5 EDBDMN Cc1nc(C(C)C)ccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999954063 707613399 /nfs/dbraw/zinc/61/33/99/707613399.db2.gz UBGSRSWWQSOPMZ-UKRRQHHQSA-N 0 1 346.387 1.119 20 5 EDBDMN O=C(Cn1cccn1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002340795 708830413 /nfs/dbraw/zinc/83/04/13/708830413.db2.gz BBYLHIIDWCDTSD-UHFFFAOYSA-N 0 1 343.387 1.572 20 5 EDBDMN O=C(NC1CCN(Cc2c(F)cccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002782099 709387817 /nfs/dbraw/zinc/38/78/17/709387817.db2.gz HFWMSWFHXXNUQP-IAQYHMDHSA-N 0 1 339.342 1.711 20 5 EDBDMN O=C(NC1CCN(Cc2cccc(F)c2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002782599 709388563 /nfs/dbraw/zinc/38/85/63/709388563.db2.gz MDUYXTDHOQSDNI-TZMCWYRMSA-N 0 1 339.342 1.711 20 5 EDBDMN O=C(NC1CCN(Cc2nc3ccccc3o2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002783470 709389433 /nfs/dbraw/zinc/38/94/33/709389433.db2.gz SYIGHXARUMJDQS-TZMCWYRMSA-N 0 1 344.371 1.574 20 5 EDBDMN 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CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)N(C)C ZINC000782477408 580575632 /nfs/dbraw/zinc/57/56/32/580575632.db2.gz PSHGLZUWBOWXFK-UHFFFAOYSA-N 0 1 340.355 1.473 20 5 EDBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc[nH]n1 ZINC000798226561 580991397 /nfs/dbraw/zinc/99/13/97/580991397.db2.gz BKHBKMZMPJQGGJ-RXMQYKEDSA-N 0 1 349.731 1.545 20 5 EDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000840672451 591268319 /nfs/dbraw/zinc/26/83/19/591268319.db2.gz QHLDBFZXLHCCRT-NQMVMOMDSA-N 0 1 344.270 1.823 20 5 EDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000895247831 591681006 /nfs/dbraw/zinc/68/10/06/591681006.db2.gz WZWBACWHTGUWNP-ABAIWWIYSA-N 0 1 336.392 1.428 20 5 EDBDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000897942337 591731424 /nfs/dbraw/zinc/73/14/24/591731424.db2.gz MDDXSLUIHDEXRM-AWEZNQCLSA-N 0 1 347.419 1.511 20 5 EDBDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000897942337 591731427 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CN1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918351238 697156163 /nfs/dbraw/zinc/15/61/63/697156163.db2.gz IZEZQSLXHDYCEW-GASCZTMLSA-N 0 1 339.417 1.557 20 5 EDBDMN Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC000943625815 698598021 /nfs/dbraw/zinc/59/80/21/698598021.db2.gz ZXSCEDYCMAIWOM-QHSBEEBCSA-N 0 1 349.387 1.719 20 5 EDBDMN CCc1ccccc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012349 701053976 /nfs/dbraw/zinc/05/39/76/701053976.db2.gz ASMYSQSWYHKDQU-HZPDHXFCSA-N 0 1 345.399 1.589 20 5 EDBDMN CC(C)(C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(F)c1 ZINC000999781203 707343692 /nfs/dbraw/zinc/34/36/92/707343692.db2.gz PBZSSXGLVGATAR-ZIAGYGMSSA-N 0 1 349.362 1.096 20 5 EDBDMN CC1(CC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCCC1 ZINC001001808367 708333119 /nfs/dbraw/zinc/33/31/19/708333119.db2.gz UWWLJGFLCVYPST-ZIAGYGMSSA-N 0 1 337.420 1.587 20 5 EDBDMN O=C(Cc1ccon1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002495743 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1.310 20 5 EDBDMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000041368426 138102334 /nfs/dbraw/zinc/10/23/34/138102334.db2.gz YKDMKYJWHMNCOM-UHFFFAOYSA-N 0 1 345.359 1.622 20 5 EDBDMN CC1(C)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000332211851 535315713 /nfs/dbraw/zinc/31/57/13/535315713.db2.gz GVCYMJYBKWATGV-UHFFFAOYSA-N 0 1 328.390 1.700 20 5 EDBDMN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186874204 236049985 /nfs/dbraw/zinc/04/99/85/236049985.db2.gz GZQOOHNNBYNVNN-NSHDSACASA-N 0 1 337.376 1.218 20 5 EDBDMN COC[C@](C)(CCO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079920873 217264588 /nfs/dbraw/zinc/26/45/88/217264588.db2.gz VOYDGMCBAWPMDT-AWEZNQCLSA-N 0 1 345.783 1.564 20 5 EDBDMN C[C@H](C[S@@](C)=O)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248634831 139169375 /nfs/dbraw/zinc/16/93/75/139169375.db2.gz UTABSHMYANFDDK-ZRUHOGSISA-N 0 1 330.406 1.033 20 5 EDBDMN C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000415568396 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0 1 329.397 1.851 20 5 EDBDMN CCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000118957525 221211006 /nfs/dbraw/zinc/21/10/06/221211006.db2.gz BPMQWJWOWFTGIP-UHFFFAOYSA-N 0 1 333.435 1.727 20 5 EDBDMN CCC(CC)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119167662 221257960 /nfs/dbraw/zinc/25/79/60/221257960.db2.gz WATJKRTUGOCDAR-GFCCVEGCSA-N 0 1 334.369 1.809 20 5 EDBDMN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264166953 139384020 /nfs/dbraw/zinc/38/40/20/139384020.db2.gz JEVYMBYGYASQIB-SECBINFHSA-N 0 1 341.393 1.010 20 5 EDBDMN Cc1n[nH]c(C(=O)N2CCN(c3ncccc3F)CC2)c1[N+](=O)[O-] ZINC000270523113 140116870 /nfs/dbraw/zinc/11/68/70/140116870.db2.gz ATMKCLUUOBHVLP-UHFFFAOYSA-N 0 1 334.311 1.123 20 5 EDBDMN CCN(CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270745801 140160919 /nfs/dbraw/zinc/16/09/19/140160919.db2.gz RYDFEGKSJCZBKP-LLVKDONJSA-N 0 1 325.365 1.635 20 5 EDBDMN COc1cc(N[C@H](C)CN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271071104 140230990 /nfs/dbraw/zinc/23/09/90/140230990.db2.gz FGJSTTBXLLYJFL-LLVKDONJSA-N 0 1 326.372 1.790 20 5 EDBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[nH]1 ZINC000271196202 140255065 /nfs/dbraw/zinc/25/50/65/140255065.db2.gz WSTPPKKGMGERNF-SECBINFHSA-N 0 1 332.364 1.832 20 5 EDBDMN C[C@@H]1C[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271274121 140269461 /nfs/dbraw/zinc/26/94/61/140269461.db2.gz OOQAOVWNVGWVKH-NXEZZACHSA-N 0 1 332.353 1.827 20 5 EDBDMN COCCCOCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000271482582 140301697 /nfs/dbraw/zinc/30/16/97/140301697.db2.gz GGTYWPUAUUFPHC-UHFFFAOYSA-N 0 1 328.369 1.566 20 5 EDBDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000331766609 141078542 /nfs/dbraw/zinc/07/85/42/141078542.db2.gz BDGIRAYFRCMPSY-OLZOCXBDSA-N 0 1 331.332 1.624 20 5 EDBDMN Cn1nccc1[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343450002 142846536 /nfs/dbraw/zinc/84/65/36/142846536.db2.gz RFVGSCSVMUFDJI-BBRMVZONSA-N 0 1 347.350 1.577 20 5 EDBDMN CCOC(=O)C[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000345332489 143079346 /nfs/dbraw/zinc/07/93/46/143079346.db2.gz YHKFOVCBNXLCIR-VIFPVBQESA-N 0 1 326.353 1.855 20 5 EDBDMN CO[C@@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000345492681 143097865 /nfs/dbraw/zinc/09/78/65/143097865.db2.gz RDBJHXMWRZJNJL-ZIAGYGMSSA-N 0 1 345.359 1.552 20 5 EDBDMN O=C(NCCc1nc[nH]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000345702469 143123351 /nfs/dbraw/zinc/12/33/51/143123351.db2.gz PTHFVABDEFQNSL-UHFFFAOYSA-N 0 1 340.137 1.448 20 5 EDBDMN O=C([O-])[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000346266641 143185177 /nfs/dbraw/zinc/18/51/77/143185177.db2.gz AEJFKEKHCLHQGH-NSHDSACASA-N 0 1 335.316 1.442 20 5 EDBDMN Cc1c(NC(=O)CCN2C[C@@H](F)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000346414867 143202292 /nfs/dbraw/zinc/20/22/92/143202292.db2.gz PPFVOQARVDFYSL-RYUDHWBXSA-N 0 1 325.340 1.637 20 5 EDBDMN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346639172 143224850 /nfs/dbraw/zinc/22/48/50/143224850.db2.gz HPKLIBPARPSORS-SECBINFHSA-N 0 1 342.352 1.185 20 5 EDBDMN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346639174 143224863 /nfs/dbraw/zinc/22/48/63/143224863.db2.gz HPKLIBPARPSORS-VIFPVBQESA-N 0 1 342.352 1.185 20 5 EDBDMN COc1cccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000346705218 143235210 /nfs/dbraw/zinc/23/52/10/143235210.db2.gz KGSDUMYNWCUGMT-RYUDHWBXSA-N 0 1 337.376 1.395 20 5 EDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000347094385 143282146 /nfs/dbraw/zinc/28/21/46/143282146.db2.gz PPUDMMWDOUYBMN-OCCSQVGLSA-N 0 1 341.433 1.539 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)C1CC1 ZINC000347412144 143318251 /nfs/dbraw/zinc/31/82/51/143318251.db2.gz GQMXJNZTIZNPCY-UHFFFAOYSA-N 0 1 327.406 1.618 20 5 EDBDMN CCO[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353129038 149297315 /nfs/dbraw/zinc/29/73/15/149297315.db2.gz MFKWREKCZRLBEX-GJZGRUSLSA-N 0 1 338.360 1.745 20 5 EDBDMN COC(=O)c1cn([C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029927 150082351 /nfs/dbraw/zinc/08/23/51/150082351.db2.gz CDSVSNGKMSGHEL-BXUZGUMPSA-N 0 1 345.359 1.981 20 5 EDBDMN COC(=O)COc1ccc(CN2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355048866 150092419 /nfs/dbraw/zinc/09/24/19/150092419.db2.gz FUXQAJYMCROPDX-FZMZJTMJSA-N 0 1 338.360 1.349 20 5 EDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000355749814 150385344 /nfs/dbraw/zinc/38/53/44/150385344.db2.gz SXENBDASTGDNEW-NWDGAFQWSA-N 0 1 327.406 1.656 20 5 EDBDMN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2[nH]nnc2C1 ZINC000358629684 151441167 /nfs/dbraw/zinc/44/11/67/151441167.db2.gz FQLNLBRDPZDJIK-UHFFFAOYSA-N 0 1 340.299 1.165 20 5 EDBDMN COCCCN(C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360653445 152139827 /nfs/dbraw/zinc/13/98/27/152139827.db2.gz PQQMLLKGIODYBI-UHFFFAOYSA-N 0 1 345.421 1.150 20 5 EDBDMN CNc1c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000360936896 152258075 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Cc1n[nH]c(C(=O)N2CCC(Nc3cccnn3)CC2)c1[N+](=O)[O-] ZINC000264386077 443272378 /nfs/dbraw/zinc/27/23/78/443272378.db2.gz ZHVPQBHMCOVTOF-UHFFFAOYSA-N 0 1 331.336 1.133 20 5 EDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000269331880 443284016 /nfs/dbraw/zinc/28/40/16/443284016.db2.gz CJDNYABPJNDPSN-AWEZNQCLSA-N 0 1 341.433 1.872 20 5 EDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCOCC1 ZINC000269280475 443265085 /nfs/dbraw/zinc/26/50/85/443265085.db2.gz LFUINHZBUTWNKY-ZDUSSCGKSA-N 0 1 335.360 1.237 20 5 EDBDMN CSc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264792928 443428269 /nfs/dbraw/zinc/42/82/69/443428269.db2.gz VCDDOIZKESXBET-GFCCVEGCSA-N 0 1 338.433 1.292 20 5 EDBDMN C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCO1 ZINC000278767650 443431153 /nfs/dbraw/zinc/43/11/53/443431153.db2.gz XQNTWMLYYUJHSY-LBPRGKRZSA-N 0 1 337.376 1.531 20 5 EDBDMN COc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1[N+](=O)[O-] ZINC000283031776 443501696 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Cc1n[nH]c(SCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000288130533 443780109 /nfs/dbraw/zinc/78/01/09/443780109.db2.gz CFHUTBDOGVDPAD-UHFFFAOYSA-N 0 1 335.389 1.815 20 5 EDBDMN C[C@H](O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281105351 443820321 /nfs/dbraw/zinc/82/03/21/443820321.db2.gz FSVOLEDMFGYXTO-QWRGUYRKSA-N 0 1 347.375 1.135 20 5 EDBDMN CNC(=O)[C@@]1(C)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000281195958 443845350 /nfs/dbraw/zinc/84/53/50/443845350.db2.gz SOANMVLHQFOIJM-INIZCTEOSA-N 0 1 337.376 1.570 20 5 EDBDMN COc1cc(S(=O)(=O)N[C@H](C)c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000285218557 443899138 /nfs/dbraw/zinc/89/91/38/443899138.db2.gz AKBMJYNBDOJPBX-SSDOTTSWSA-N 0 1 341.349 1.069 20 5 EDBDMN COc1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285674466 444068318 /nfs/dbraw/zinc/06/83/18/444068318.db2.gz HIAHPFDURSSLOB-KBPBESRZSA-N 0 1 335.360 1.149 20 5 EDBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nnc[nH]1 ZINC000285766472 444101809 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EDBDMN Cc1[nH]nc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1[N+](=O)[O-] ZINC000290724523 444315494 /nfs/dbraw/zinc/31/54/94/444315494.db2.gz VYPZSTQNNQSURF-UHFFFAOYSA-N 0 1 330.300 1.640 20 5 EDBDMN CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314184409 444298821 /nfs/dbraw/zinc/29/88/21/444298821.db2.gz XNXMQJYUJNELHL-JTQLQIEISA-N 0 1 329.378 1.063 20 5 EDBDMN Cc1cc(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)cc([N+](=O)[O-])c1 ZINC000297748480 444328315 /nfs/dbraw/zinc/32/83/15/444328315.db2.gz NZBCITNAADIXHU-UHFFFAOYSA-N 0 1 330.304 1.166 20 5 EDBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000298108354 444417939 /nfs/dbraw/zinc/41/79/39/444417939.db2.gz LZFRUXLIJZIJRN-LBPRGKRZSA-N 0 1 334.376 1.361 20 5 EDBDMN Cc1nc([C@H](C)Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])n[nH]1 ZINC000343940258 444683593 /nfs/dbraw/zinc/68/35/93/444683593.db2.gz FEOKPQOKNUPIMO-ZETCQYMHSA-N 0 1 325.350 1.598 20 5 EDBDMN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)c1 ZINC000344069296 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O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CC1[N+](=O)[O-] ZINC000362995032 445642909 /nfs/dbraw/zinc/64/29/09/445642909.db2.gz UHRFTQKRTUMBIO-ZETOZRRWSA-N 0 1 339.342 1.711 20 5 EDBDMN O=C(NCCN1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000350087957 445766181 /nfs/dbraw/zinc/76/61/81/445766181.db2.gz SWSVMVSWMGKBCP-UHFFFAOYSA-N 0 1 341.371 1.772 20 5 EDBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356560092 445858739 /nfs/dbraw/zinc/85/87/39/445858739.db2.gz ZIOVVENLMYDKSL-NSHDSACASA-N 0 1 341.331 1.160 20 5 EDBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356582510 445871098 /nfs/dbraw/zinc/87/10/98/445871098.db2.gz XHPQBIPXDNBCMU-GFCCVEGCSA-N 0 1 341.331 1.010 20 5 EDBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)[C@H]1c1ccccc1 ZINC000356731290 445974134 /nfs/dbraw/zinc/97/41/34/445974134.db2.gz OUTCBJLMSOTKHM-SWLSCSKDSA-N 0 1 329.360 1.504 20 5 EDBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000361909834 446057526 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EDBDMN Cn1c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000603561912 450324374 /nfs/dbraw/zinc/32/43/74/450324374.db2.gz PZNVNLKXYWVVBS-ZDUSSCGKSA-N 0 1 336.392 1.260 20 5 EDBDMN CN1CC2(C1)CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000618920884 450341360 /nfs/dbraw/zinc/34/13/60/450341360.db2.gz HALKKOIDRLYJPY-UHFFFAOYSA-N 0 1 342.355 1.626 20 5 EDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000619868232 450347142 /nfs/dbraw/zinc/34/71/42/450347142.db2.gz CHKJVHROVHCUBW-SNVBAGLBSA-N 0 1 347.331 1.502 20 5 EDBDMN CCc1ccc(C(=O)NC[C@@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873329 450349294 /nfs/dbraw/zinc/34/92/94/450349294.db2.gz DPEREWFBPHHTKL-OAHLLOKOSA-N 0 1 332.404 1.277 20 5 EDBDMN O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891337 450370329 /nfs/dbraw/zinc/37/03/29/450370329.db2.gz XEAIJRWIGLSBOB-CQSZACIVSA-N 0 1 332.316 1.928 20 5 EDBDMN Cc1cnc(C(C)(C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000183919241 534537369 /nfs/dbraw/zinc/53/73/69/534537369.db2.gz MWDDAEHQIKUTJA-LLVKDONJSA-N 0 1 325.394 1.442 20 5 EDBDMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000270721999 536151382 /nfs/dbraw/zinc/15/13/82/536151382.db2.gz WVJHJMBBLRDYKC-VIFPVBQESA-N 0 1 346.347 1.400 20 5 EDBDMN CN[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC000262305095 536380964 /nfs/dbraw/zinc/38/09/64/536380964.db2.gz BFNOUULGRINIPU-HNNXBMFYSA-N 0 1 329.360 1.174 20 5 EDBDMN CO[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000733283071 578756489 /nfs/dbraw/zinc/75/64/89/578756489.db2.gz RHARLJYHOHQZFL-SECBINFHSA-N 0 1 332.238 1.778 20 5 EDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C)[C@H](C)C1 ZINC000761074625 580046643 /nfs/dbraw/zinc/04/66/43/580046643.db2.gz XZZALSZJWNTTKY-VXGBXAGGSA-N 0 1 336.392 1.566 20 5 EDBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736807046 579022591 /nfs/dbraw/zinc/02/25/91/579022591.db2.gz KGLLZSJAZDGJGU-QMTHXVAHSA-N 0 1 335.360 1.705 20 5 EDBDMN CC(=CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752652504 579862993 /nfs/dbraw/zinc/86/29/93/579862993.db2.gz CMCFPFACJSDJGI-FUWURINLSA-N 0 1 342.359 1.917 20 5 EDBDMN CC(=CC(=O)N1CCC[C@H](c2nn[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752652504 579862994 /nfs/dbraw/zinc/86/29/94/579862994.db2.gz CMCFPFACJSDJGI-FUWURINLSA-N 0 1 342.359 1.917 20 5 EDBDMN COC(=O)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000754518630 579905182 /nfs/dbraw/zinc/90/51/82/579905182.db2.gz GGOHBYKJTLHPOB-AWEZNQCLSA-N 0 1 336.344 1.893 20 5 EDBDMN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CN1C ZINC000768841741 580221974 /nfs/dbraw/zinc/22/19/74/580221974.db2.gz NBEASIDALPPJHM-MNOVXSKESA-N 0 1 325.340 1.664 20 5 EDBDMN C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000769141255 580229817 /nfs/dbraw/zinc/22/98/17/580229817.db2.gz LRNWNJSKBKKDKY-VXGBXAGGSA-N 0 1 335.360 1.337 20 5 EDBDMN O=C(Cc1n[nH]c2c1CCCC2)OCCn1cc([N+](=O)[O-])ccc1=O 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340.760 1.827 20 5 EDBDMN COc1cnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000799185124 581021649 /nfs/dbraw/zinc/02/16/49/581021649.db2.gz CVLVOOCLOUONCC-UHFFFAOYSA-N 0 1 344.736 1.848 20 5 EDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCN1CCO[C@@H](C)C1 ZINC000893389769 590828833 /nfs/dbraw/zinc/82/88/33/590828833.db2.gz NQLSUHCLZOWENR-LBPRGKRZSA-N 0 1 340.380 1.144 20 5 EDBDMN CCN1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000892971254 591243559 /nfs/dbraw/zinc/24/35/59/591243559.db2.gz OTLWNDRDUUQDLW-LBPRGKRZSA-N 0 1 330.388 1.977 20 5 EDBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(N2CCCC2)C1 ZINC000898608645 591435868 /nfs/dbraw/zinc/43/58/68/591435868.db2.gz ZVISECFCYKEJCM-UHFFFAOYSA-N 0 1 328.372 1.925 20 5 EDBDMN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC000896574391 591534961 /nfs/dbraw/zinc/53/49/61/591534961.db2.gz ZOOFVXKURWKODT-YGRLFVJLSA-N 0 1 340.811 1.612 20 5 EDBDMN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000896581624 591542359 /nfs/dbraw/zinc/54/23/59/591542359.db2.gz RJZNDHUXZZZEAN-YGRLFVJLSA-N 0 1 340.811 1.612 20 5 EDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCCC2)c1C ZINC000897724427 591636839 /nfs/dbraw/zinc/63/68/39/591636839.db2.gz DPMMBSMAAUZEFF-CQSZACIVSA-N 0 1 335.404 1.788 20 5 EDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCS(=O)(=O)N1CCCC1 ZINC000903291438 592154615 /nfs/dbraw/zinc/15/46/15/592154615.db2.gz ZCXLHRQSWGEJDX-CYBMUJFWSA-N 0 1 341.433 1.979 20 5 EDBDMN CO[C@@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000903372240 592162284 /nfs/dbraw/zinc/16/22/84/592162284.db2.gz XOVBOOWJPJWUDK-BXUZGUMPSA-N 0 1 328.390 1.449 20 5 EDBDMN Cc1nn(CN2CC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905694539 592624948 /nfs/dbraw/zinc/62/49/48/592624948.db2.gz BYODDHJLWFOSPY-LBPRGKRZSA-N 0 1 332.360 1.905 20 5 EDBDMN CC[N@H+]1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)[C@H]2C1 ZINC000910384530 592856561 /nfs/dbraw/zinc/85/65/61/592856561.db2.gz PTVJWQUWACAATE-LSDHHAIUSA-N 0 1 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